smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C)c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771719 721149822 /nfs/dbraw/zinc/14/98/22/721149822.db2.gz SRGKFOWIDORSPP-IAGOWNOFSA-N 0 3 370.457 2.298 20 5 FEBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000026852951 539794507 /nfs/dbraw/zinc/79/45/07/539794507.db2.gz KJTJFZIESNKDDU-MRXNPFEDSA-N 0 3 355.394 2.364 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000033853142 539975974 /nfs/dbraw/zinc/97/59/74/539975974.db2.gz ZMIMBAYMHYCWDK-SFHVURJKSA-N 0 3 372.421 2.318 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000041322020 540017077 /nfs/dbraw/zinc/01/70/77/540017077.db2.gz QWDQYABOBWLZOT-LBPRGKRZSA-N 0 3 370.837 2.279 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CC(C)C)CC1 ZINC000041894499 540038339 /nfs/dbraw/zinc/03/83/39/540038339.db2.gz PVOMQLKYWYUZAW-UHFFFAOYSA-N 0 3 364.446 2.206 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(C[NH+](C)C)c1 ZINC000046036195 540238292 /nfs/dbraw/zinc/23/82/92/540238292.db2.gz MPFVISXLLPCWCK-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047145467 540292859 /nfs/dbraw/zinc/29/28/59/540292859.db2.gz DNDAYUPLNBSOFY-CYBMUJFWSA-N 0 3 363.414 2.233 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000054779535 540609500 /nfs/dbraw/zinc/60/95/00/540609500.db2.gz RZKLRXABHJAYRJ-UHFFFAOYSA-N 0 3 351.403 2.074 20 5 FEBDHN CN(C)CCN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000055198343 540635149 /nfs/dbraw/zinc/63/51/49/540635149.db2.gz GYJWIWKFQKSXPJ-UHFFFAOYSA-N 0 3 362.474 2.212 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000055298018 540645339 /nfs/dbraw/zinc/64/53/39/540645339.db2.gz SFZXAQBMKBKLEQ-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000056786191 540745673 /nfs/dbraw/zinc/74/56/73/540745673.db2.gz QUSBOIKOWVRSGM-LSDHHAIUSA-N 0 3 363.462 2.426 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CCCN(C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000063725848 541181660 /nfs/dbraw/zinc/18/16/60/541181660.db2.gz ZICYJUIGFOXATR-UHFFFAOYSA-N 0 3 363.414 2.328 20 5 FEBDHN Cc1c(Br)c(NCCCN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000542508929 541417503 /nfs/dbraw/zinc/41/75/03/541417503.db2.gz AALKIAFKTVQHGS-UHFFFAOYSA-N 0 3 373.251 2.319 20 5 FEBDHN CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCCC1 ZINC000067104788 541418582 /nfs/dbraw/zinc/41/85/82/541418582.db2.gz LPRDBXFNTCWJEZ-UHFFFAOYSA-N 0 3 363.414 2.360 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067398280 541457226 /nfs/dbraw/zinc/45/72/26/541457226.db2.gz ZTYJAKLJENDVCX-GXTWGEPZSA-N 0 3 362.430 2.078 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)cc1OC ZINC000068341447 541579217 /nfs/dbraw/zinc/57/92/17/541579217.db2.gz WEWSXUAYXMIVST-LBPRGKRZSA-N 0 3 351.403 2.168 20 5 FEBDHN C[C@@H](NC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068386159 541585847 /nfs/dbraw/zinc/58/58/47/541585847.db2.gz RTFSPKPMORYLJK-CQSZACIVSA-N 0 3 359.430 2.427 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072855640 541882235 /nfs/dbraw/zinc/88/22/35/541882235.db2.gz SYMGOWGTPFANNI-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN CCCNC(=O)CN(CCC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063525864 205293143 /nfs/dbraw/zinc/29/31/43/205293143.db2.gz RXYWOMMZYBXYPE-UHFFFAOYSA-N 0 3 364.446 2.470 20 5 FEBDHN Cc1cnc(NCc2cccc(C(=O)NCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000078658536 542474528 /nfs/dbraw/zinc/47/45/28/542474528.db2.gz SNRQHBORILKVDQ-UHFFFAOYSA-N 0 3 357.414 2.202 20 5 FEBDHN CN(C)[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000079357061 542513929 /nfs/dbraw/zinc/51/39/29/542513929.db2.gz BRRGXYCAHCKBSO-QGZVFWFLSA-N 0 3 370.453 2.320 20 5 FEBDHN CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000087190355 542743331 /nfs/dbraw/zinc/74/33/31/542743331.db2.gz WIWKRRZQNICIRP-UHFFFAOYSA-N 0 3 356.220 2.110 20 5 FEBDHN Nc1ccc(C(=O)Nc2cnn(CCN3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000089432908 542763094 /nfs/dbraw/zinc/76/30/94/542763094.db2.gz JPOHDFKINQUNLE-UHFFFAOYSA-N 0 3 358.402 2.112 20 5 FEBDHN CCOc1ccc(NC(=O)CN(C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000089923513 542772733 /nfs/dbraw/zinc/77/27/33/542772733.db2.gz NCPWZZKRVVYRFE-UHFFFAOYSA-N 0 3 365.430 2.415 20 5 FEBDHN Cn1cc(CN2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092659950 542878035 /nfs/dbraw/zinc/87/80/35/542878035.db2.gz BETHIJABBHMUTH-AWEZNQCLSA-N 0 3 371.441 2.473 20 5 FEBDHN CSc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000110867360 543371225 /nfs/dbraw/zinc/37/12/25/543371225.db2.gz JIICKSQSCLMCLL-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000113197814 543476440 /nfs/dbraw/zinc/47/64/40/543476440.db2.gz LDQQSNKRBYMXCO-AWEZNQCLSA-N 0 3 365.430 2.363 20 5 FEBDHN CCN1CCN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000114140737 543505362 /nfs/dbraw/zinc/50/53/62/543505362.db2.gz VNQFVQWCJKCCIB-MDZDMXLPSA-N 0 3 360.458 2.142 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114641599 543526858 /nfs/dbraw/zinc/52/68/58/543526858.db2.gz OOXKRJRRYWUGNU-HNNXBMFYSA-N 0 3 357.414 2.031 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115254818 543556477 /nfs/dbraw/zinc/55/64/77/543556477.db2.gz XXAQIOZAQSSLRK-UHFFFAOYSA-N 0 3 363.462 2.213 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247477463 549340538 /nfs/dbraw/zinc/34/05/38/549340538.db2.gz SNBPUIWIOPPKRE-SUMWQHHRSA-N 0 3 357.414 2.193 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247479921 549341384 /nfs/dbraw/zinc/34/13/84/549341384.db2.gz SRHRDORYWPLEHI-CXAGYDPISA-N 0 3 357.414 2.193 20 5 FEBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122885029 543729618 /nfs/dbraw/zinc/72/96/18/543729618.db2.gz HQPLJYSTVRFSER-GOSISDBHSA-N 0 3 358.442 2.118 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000123004922 543736787 /nfs/dbraw/zinc/73/67/87/543736787.db2.gz ZMMYDJCNXJGECI-UHFFFAOYSA-N 0 3 374.397 2.025 20 5 FEBDHN [NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024823 543856561 /nfs/dbraw/zinc/85/65/61/543856561.db2.gz JOCKNMWYSHTQFQ-BDAKNGLRSA-N 0 3 367.349 2.162 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000125091057 543859717 /nfs/dbraw/zinc/85/97/17/543859717.db2.gz IBPFOFFOIKPHEZ-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128522335 544057872 /nfs/dbraw/zinc/05/78/72/544057872.db2.gz KHKULOYRTLHOJD-INIZCTEOSA-N 0 3 362.430 2.160 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](O)CN1CCCCC1 ZINC000129850508 544129570 /nfs/dbraw/zinc/12/95/70/544129570.db2.gz NEUCPIIJUNXMLG-LLVKDONJSA-N 0 3 359.224 2.011 20 5 FEBDHN CCN(Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)C1CC1 ZINC000130002439 544134848 /nfs/dbraw/zinc/13/48/48/544134848.db2.gz YWUFMXJIFKUHFH-UHFFFAOYSA-N 0 3 357.414 2.206 20 5 FEBDHN CCN1CCC(NC(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135225173 544338365 /nfs/dbraw/zinc/33/83/65/544338365.db2.gz FBTTTWVQSIULMF-UHFFFAOYSA-N 0 3 360.458 2.160 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152709054 544686801 /nfs/dbraw/zinc/68/68/01/544686801.db2.gz WOCDLBNMJFPINI-QLFBSQMISA-N 0 3 369.487 2.381 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152918363 544712132 /nfs/dbraw/zinc/71/21/32/544712132.db2.gz KDDJIMQZJFBVFS-KGLIPLIRSA-N 0 3 353.444 2.008 20 5 FEBDHN CN(C)C(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182209459 327765583 /nfs/dbraw/zinc/76/55/83/327765583.db2.gz XIVXLSHJBNJHBF-UHFFFAOYSA-N 0 3 362.430 2.114 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000188017545 328060676 /nfs/dbraw/zinc/06/06/76/328060676.db2.gz UKTWZJYLMUIZQW-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189199774 328134320 /nfs/dbraw/zinc/13/43/20/328134320.db2.gz LDDDHDLZHRIPJX-RDJZCZTQSA-N 0 3 350.415 2.226 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189199752 328134397 /nfs/dbraw/zinc/13/43/97/328134397.db2.gz LDDDHDLZHRIPJX-WBVHZDCISA-N 0 3 350.415 2.226 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)C[NH2+]C2 ZINC000189212432 328135144 /nfs/dbraw/zinc/13/51/44/328135144.db2.gz UYBMHLAFZLHESO-UHFFFAOYSA-N 0 3 367.814 2.330 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053796 328184749 /nfs/dbraw/zinc/18/47/49/328184749.db2.gz CDJONVKUIIBKBA-KGLIPLIRSA-N 0 3 355.460 2.363 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)n1 ZINC000191687066 328277251 /nfs/dbraw/zinc/27/72/51/328277251.db2.gz CQCREJODGFSCPR-UHFFFAOYSA-N 0 3 359.430 2.452 20 5 FEBDHN CCC(CC)(CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000192702686 328334086 /nfs/dbraw/zinc/33/40/86/328334086.db2.gz TVAQQYRLPRCMME-GFCCVEGCSA-N 0 3 351.403 2.491 20 5 FEBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1 ZINC000237438778 328516374 /nfs/dbraw/zinc/51/63/74/328516374.db2.gz HRORCGJEXGWNDA-ZJUUUORDSA-N 0 3 356.220 2.109 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(C[C@H]4CCOC4)CC3)co2)cc1 ZINC000089908504 325341835 /nfs/dbraw/zinc/34/18/35/325341835.db2.gz MVPYIODYQOUYDB-OAHLLOKOSA-N 0 3 372.425 2.404 20 5 FEBDHN CN1CCN(CC2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000110014191 325681727 /nfs/dbraw/zinc/68/17/27/325681727.db2.gz ZMQUFSWRCKRHBV-VOTSOKGWSA-N 0 3 372.469 2.094 20 5 FEBDHN COCCOC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000116885993 326039885 /nfs/dbraw/zinc/03/98/85/326039885.db2.gz VPFVOKCJPLADAL-UHFFFAOYSA-N 0 3 365.430 2.359 20 5 FEBDHN O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000120131362 326233014 /nfs/dbraw/zinc/23/30/14/326233014.db2.gz XLSRYHBMBTXESK-ZTFGCOKTSA-N 0 3 359.426 2.104 20 5 FEBDHN O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000120131501 326233063 /nfs/dbraw/zinc/23/30/63/326233063.db2.gz XLSRYHBMBTXESK-OLMNPRSZSA-N 0 3 359.426 2.104 20 5 FEBDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322358 326249706 /nfs/dbraw/zinc/24/97/06/326249706.db2.gz KWAXBUBKWKTARC-CQSZACIVSA-N 0 3 355.460 2.241 20 5 FEBDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322358 326249708 /nfs/dbraw/zinc/24/97/08/326249708.db2.gz KWAXBUBKWKTARC-CQSZACIVSA-N 0 3 355.460 2.241 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000126762015 326494774 /nfs/dbraw/zinc/49/47/74/326494774.db2.gz INTZFNXKFWHDFW-INIZCTEOSA-N 0 3 359.382 2.148 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000131466417 326575209 /nfs/dbraw/zinc/57/52/09/326575209.db2.gz UUDKRNDXUKXBNR-CQSZACIVSA-N 0 3 367.471 2.500 20 5 FEBDHN C[C@H](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000133352678 326607230 /nfs/dbraw/zinc/60/72/30/326607230.db2.gz UELUKSOVDNMDRO-OIRASMEMSA-N 0 3 350.444 2.242 20 5 FEBDHN Cc1ccnc(N2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000161774750 327008810 /nfs/dbraw/zinc/00/88/10/327008810.db2.gz DAKOQBRBKXAPDD-UHFFFAOYSA-N 0 3 366.381 2.137 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000163378862 327049934 /nfs/dbraw/zinc/04/99/34/327049934.db2.gz OBAXFFQDESERQJ-IBGZPJMESA-N 0 3 371.441 2.421 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000171620028 327148594 /nfs/dbraw/zinc/14/85/94/327148594.db2.gz ZBINQPFSSZRDOG-CQSZACIVSA-N 0 3 357.414 2.391 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000171677992 327154471 /nfs/dbraw/zinc/15/44/71/327154471.db2.gz AUHKISCZVHVJBL-UHFFFAOYSA-N 0 3 363.393 2.223 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000171677992 327154472 /nfs/dbraw/zinc/15/44/72/327154472.db2.gz AUHKISCZVHVJBL-UHFFFAOYSA-N 0 3 363.393 2.223 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)cccc1[N+](=O)[O-] ZINC000173282692 327246917 /nfs/dbraw/zinc/24/69/17/327246917.db2.gz LBCSGHNZXHADBY-CABCVRRESA-N 0 3 374.441 2.315 20 5 FEBDHN CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173288908 327247548 /nfs/dbraw/zinc/24/75/48/327247548.db2.gz PRKSLGMPLYKDHJ-SGQUHAKNSA-N 0 3 372.469 2.237 20 5 FEBDHN C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173312822 327249160 /nfs/dbraw/zinc/24/91/60/327249160.db2.gz AODAEQOJWRBFPX-MRXNPFEDSA-N 0 3 370.457 2.248 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000173630971 327272494 /nfs/dbraw/zinc/27/24/94/327272494.db2.gz CSNNGGISJDVOQL-MRXNPFEDSA-N 0 3 367.471 2.232 20 5 FEBDHN CCOc1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174708732 327344746 /nfs/dbraw/zinc/34/47/46/327344746.db2.gz KZJCKZNTGMGTDI-FUHWJXTLSA-N 0 3 360.414 2.388 20 5 FEBDHN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087035 327373162 /nfs/dbraw/zinc/37/31/62/327373162.db2.gz XMXQSQUUCUOSEJ-WDEREUQCSA-N 0 3 361.851 2.399 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000175130590 327375845 /nfs/dbraw/zinc/37/58/45/327375845.db2.gz JHLKFLMAMMEMHR-DZGCQCFKSA-N 0 3 355.460 2.172 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000176695956 327470692 /nfs/dbraw/zinc/47/06/92/327470692.db2.gz ZASNQLJFYYHVES-HUUCEWRRSA-N 0 3 364.446 2.012 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000265131259 329094551 /nfs/dbraw/zinc/09/45/51/329094551.db2.gz RMFRQTYWJCTVDJ-UHFFFAOYSA-N 0 3 374.441 2.489 20 5 FEBDHN CN(C)[C@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCSC1 ZINC000267101011 329291952 /nfs/dbraw/zinc/29/19/52/329291952.db2.gz OWRLMWCLPDNFGP-KRWDZBQOSA-N 0 3 364.471 2.336 20 5 FEBDHN CN(C)[C@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267107028 329292485 /nfs/dbraw/zinc/29/24/85/329292485.db2.gz MGODRKCSMLRIQZ-HNNXBMFYSA-N 0 3 355.485 2.240 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160135 329391920 /nfs/dbraw/zinc/39/19/20/329391920.db2.gz VKCRFPAIPCAGRV-YPMHNXCESA-N 0 3 351.403 2.071 20 5 FEBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000269158243 329491679 /nfs/dbraw/zinc/49/16/79/329491679.db2.gz IXVIBXTUMGEUNL-UHFFFAOYSA-N 0 3 361.789 2.305 20 5 FEBDHN CS[C@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271682603 329714810 /nfs/dbraw/zinc/71/48/10/329714810.db2.gz ZOAVMGVPYFKMLR-HOTGVXAUSA-N 0 3 366.487 2.215 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271965226 329741136 /nfs/dbraw/zinc/74/11/36/329741136.db2.gz GNRXTMWXNVSKOM-HIFRSBDPSA-N 0 3 374.846 2.074 20 5 FEBDHN COc1cc(OCC(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272149101 329755858 /nfs/dbraw/zinc/75/58/58/329755858.db2.gz FUIPIXZZRRDMDC-ZDUSSCGKSA-N 0 3 365.430 2.171 20 5 FEBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379408 329860028 /nfs/dbraw/zinc/86/00/28/329860028.db2.gz HGTKZWXJHMBNDG-PWSUYJOCSA-N 0 3 356.220 2.491 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000273660081 329882522 /nfs/dbraw/zinc/88/25/22/329882522.db2.gz HWKPDNBSFAFTTH-JSGCOSHPSA-N 0 3 354.432 2.113 20 5 FEBDHN CCc1n[nH]c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302550 330032644 /nfs/dbraw/zinc/03/26/44/330032644.db2.gz NASLBAQPXOAZKH-LBPRGKRZSA-N 0 3 372.429 2.351 20 5 FEBDHN CCc1n[n-]c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302550 330032645 /nfs/dbraw/zinc/03/26/45/330032645.db2.gz NASLBAQPXOAZKH-LBPRGKRZSA-N 0 3 372.429 2.351 20 5 FEBDHN CCOCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000276138461 330122915 /nfs/dbraw/zinc/12/29/15/330122915.db2.gz DSUSVYVDHQUGKA-UHFFFAOYSA-N 0 3 353.419 2.217 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)CN2CCCCC2)c1F ZINC000411385344 330256614 /nfs/dbraw/zinc/25/66/14/330256614.db2.gz KDSVYLUQGGCHAZ-GFCCVEGCSA-N 0 3 353.394 2.276 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000157306515 545726252 /nfs/dbraw/zinc/72/62/52/545726252.db2.gz QFWBOVPZEVXOOU-DOMZBBRYSA-N 0 3 351.378 2.055 20 5 FEBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000158643803 545880897 /nfs/dbraw/zinc/88/08/97/545880897.db2.gz RSSQIQFXOVQRNQ-CYBMUJFWSA-N 0 3 353.444 2.232 20 5 FEBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000158965239 545909117 /nfs/dbraw/zinc/90/91/17/545909117.db2.gz ZVWFJLBUQKGCGD-HNNXBMFYSA-N 0 3 367.471 2.074 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000478459243 561167434 /nfs/dbraw/zinc/16/74/34/561167434.db2.gz YGVXTLKAYMVGAN-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H](N2CCCC2)CC1 ZINC000160151374 546012579 /nfs/dbraw/zinc/01/25/79/546012579.db2.gz KPDHPPDFGHXZMB-CYBMUJFWSA-N 0 3 371.434 2.373 20 5 FEBDHN Nc1c(C(=O)NCCCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178163018 546749142 /nfs/dbraw/zinc/74/91/42/546749142.db2.gz PVUSJOLWCSQZOU-UHFFFAOYSA-N 0 3 354.410 2.355 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000178926244 546875193 /nfs/dbraw/zinc/87/51/93/546875193.db2.gz ABUDMRGVSUMBSF-CJNGLKHVSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1cnc(OCC(=O)NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000179271161 546923363 /nfs/dbraw/zinc/92/33/63/546923363.db2.gz OURGBPBFCWJCBW-MRXNPFEDSA-N 0 3 358.398 2.096 20 5 FEBDHN CN1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000481829957 561243372 /nfs/dbraw/zinc/24/33/72/561243372.db2.gz MZBLZMMYPFELSH-SJLPKXTDSA-N 0 3 357.385 2.490 20 5 FEBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000179525971 546970819 /nfs/dbraw/zinc/97/08/19/546970819.db2.gz WODLEXGGUMHMTD-MRXNPFEDSA-N 0 3 367.471 2.027 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183191025 547618645 /nfs/dbraw/zinc/61/86/45/547618645.db2.gz KDQHBZTVQKGQBL-UHFFFAOYSA-N 0 3 358.324 2.344 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2cccn2)c1 ZINC000183567937 547682325 /nfs/dbraw/zinc/68/23/25/547682325.db2.gz RRVHACXGCMKEFM-CQSZACIVSA-N 0 3 353.382 2.293 20 5 FEBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183855598 547729404 /nfs/dbraw/zinc/72/94/04/547729404.db2.gz OKVLEBSIHNZHIW-UHFFFAOYSA-N 0 3 369.425 2.309 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184640576 547859413 /nfs/dbraw/zinc/85/94/13/547859413.db2.gz LBIHWAADZUUTFX-HNNXBMFYSA-N 0 3 363.462 2.359 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000184733922 547871892 /nfs/dbraw/zinc/87/18/92/547871892.db2.gz RFOZKWAVNNPNNL-LBPRGKRZSA-N 0 3 359.423 2.005 20 5 FEBDHN CC(C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184863642 547889355 /nfs/dbraw/zinc/88/93/55/547889355.db2.gz QGZARKLZJWMEKI-ZDUSSCGKSA-N 0 3 357.374 2.292 20 5 FEBDHN CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[n-]n2)no1 ZINC000184863642 547889357 /nfs/dbraw/zinc/88/93/57/547889357.db2.gz QGZARKLZJWMEKI-ZDUSSCGKSA-N 0 3 357.374 2.292 20 5 FEBDHN CCC(CC)(CN[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)OC ZINC000192704978 548371104 /nfs/dbraw/zinc/37/11/04/548371104.db2.gz LUPQJSFJHPAPAP-OAHLLOKOSA-N 0 3 363.414 2.269 20 5 FEBDHN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000487088229 561363348 /nfs/dbraw/zinc/36/33/48/561363348.db2.gz QNEQEBYNFFRYBY-TZMCWYRMSA-N 0 3 353.854 2.105 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245742090 548985506 /nfs/dbraw/zinc/98/55/06/548985506.db2.gz FEDOAPYAXYIXQU-DZGCQCFKSA-N 0 3 357.414 2.193 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000248990045 549536683 /nfs/dbraw/zinc/53/66/83/549536683.db2.gz HBGTUTHAWAOJTQ-QRQLOZEOSA-N 0 3 358.394 2.454 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000491287522 561444490 /nfs/dbraw/zinc/44/44/90/561444490.db2.gz YTTMFTSTNLVUNR-LJQANCHMSA-N 0 3 374.416 2.389 20 5 FEBDHN COc1cc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373052 /nfs/dbraw/zinc/37/30/52/550373052.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 0 3 361.402 2.418 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000273105229 550485065 /nfs/dbraw/zinc/48/50/65/550485065.db2.gz MXDQBCULFCXTCA-KRWDZBQOSA-N 0 3 369.421 2.400 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106657 550523131 /nfs/dbraw/zinc/52/31/31/550523131.db2.gz VJLRSFIQPGAVOQ-UTUOFQBUSA-N 0 3 367.402 2.108 20 5 FEBDHN COC(=O)c1cc(NC(=O)N(CCN(C)C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000277311989 550654963 /nfs/dbraw/zinc/65/49/63/550654963.db2.gz VCURLQLTXVHKJM-UHFFFAOYSA-N 0 3 366.418 2.494 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000277709324 550704698 /nfs/dbraw/zinc/70/46/98/550704698.db2.gz WNLYEZIXOMVPSC-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN C[C@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754036 550710202 /nfs/dbraw/zinc/71/02/02/550710202.db2.gz RTRQPFSODYBJMU-GJZGRUSLSA-N 0 3 364.446 2.456 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(c2ccnn2C)C1 ZINC000278550260 550797995 /nfs/dbraw/zinc/79/79/95/550797995.db2.gz YXHAGTLZFCUEDN-HNNXBMFYSA-N 0 3 359.430 2.486 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799872 550823460 /nfs/dbraw/zinc/82/34/60/550823460.db2.gz XOQSTOYLTMVSHF-LRDDRELGSA-N 0 3 372.429 2.097 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510485 550898443 /nfs/dbraw/zinc/89/84/43/550898443.db2.gz UHFULMJGAREVSF-FZMZJTMJSA-N 0 3 352.410 2.212 20 5 FEBDHN CN1CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1(C)C ZINC000281773972 551141757 /nfs/dbraw/zinc/14/17/57/551141757.db2.gz ZWTJMXMOKDPTFH-UHFFFAOYSA-N 0 3 372.267 2.190 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281892479 551153982 /nfs/dbraw/zinc/15/39/82/551153982.db2.gz YHRMJQWSOFADLY-UHFFFAOYSA-N 0 3 362.474 2.276 20 5 FEBDHN CN1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271746 551512488 /nfs/dbraw/zinc/51/24/88/551512488.db2.gz MUXWWSDOZLCLJW-SJLPKXTDSA-N 0 3 354.410 2.229 20 5 FEBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000498373916 561523490 /nfs/dbraw/zinc/52/34/90/561523490.db2.gz LROWPTMGPODIBL-QWRGUYRKSA-N 0 3 373.356 2.209 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000498373915 561523524 /nfs/dbraw/zinc/52/35/24/561523524.db2.gz LROWPTMGPODIBL-MNOVXSKESA-N 0 3 373.356 2.209 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500935 561526087 /nfs/dbraw/zinc/52/60/87/561526087.db2.gz ZQBDZXCLXFULMF-NDMJEZRESA-N 0 3 368.821 2.080 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000498885163 561536904 /nfs/dbraw/zinc/53/69/04/561536904.db2.gz WWRRTEFVHSZENZ-CYBMUJFWSA-N 0 3 355.460 2.087 20 5 FEBDHN COc1ccc([C@H](CN(C)C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000286009919 551837969 /nfs/dbraw/zinc/83/79/69/551837969.db2.gz JGASZGCZBCULGA-SFHVURJKSA-N 0 3 373.409 2.401 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCN(C)Cc2ccco2)n1 ZINC000286319710 551873690 /nfs/dbraw/zinc/87/36/90/551873690.db2.gz INJWLRBOBXJYEV-UHFFFAOYSA-N 0 3 362.386 2.328 20 5 FEBDHN CN(C)CCOCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499255618 561546827 /nfs/dbraw/zinc/54/68/27/561546827.db2.gz WZKASWPBMFNJOL-UHFFFAOYSA-N 0 3 350.444 2.386 20 5 FEBDHN CN(C)CCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289528734 552336053 /nfs/dbraw/zinc/33/60/53/552336053.db2.gz CWSSFDOFSSHPBM-UHFFFAOYSA-N 0 3 369.853 2.396 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](n2cc(C)cn2)C1 ZINC000289746661 552372069 /nfs/dbraw/zinc/37/20/69/552372069.db2.gz FDEKVRCJBXMHGW-HNNXBMFYSA-N 0 3 373.413 2.384 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291730577 552655647 /nfs/dbraw/zinc/65/56/47/552655647.db2.gz JOTTYQNCUSLVJM-FQEVSTJZSA-N 0 3 371.437 2.074 20 5 FEBDHN Cc1nc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000295130473 552961639 /nfs/dbraw/zinc/96/16/39/552961639.db2.gz YAYZEHBGBFJLEG-INIZCTEOSA-N 0 3 357.414 2.396 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295426171 553005163 /nfs/dbraw/zinc/00/51/63/553005163.db2.gz XISUWHVSKXVDDK-RYUDHWBXSA-N 0 3 351.378 2.441 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000295862963 553069152 /nfs/dbraw/zinc/06/91/52/553069152.db2.gz DYUOKLHZHSGEML-QAPCUYQASA-N 0 3 362.426 2.226 20 5 FEBDHN CN(C)C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000502328410 561616314 /nfs/dbraw/zinc/61/63/14/561616314.db2.gz WFUMFJIMYRRINX-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297861677 553349214 /nfs/dbraw/zinc/34/92/14/553349214.db2.gz IACQJTRUMCDOGD-ZBFHGGJFSA-N 0 3 364.446 2.110 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000297939388 553359985 /nfs/dbraw/zinc/35/99/85/553359985.db2.gz RVPRZPZTIBFBIP-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccncn3)CC2)c1 ZINC000298425610 553423799 /nfs/dbraw/zinc/42/37/99/553423799.db2.gz PTQNETHWQRXXJH-MRXNPFEDSA-N 0 3 358.398 2.004 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000299210400 553531309 /nfs/dbraw/zinc/53/13/09/553531309.db2.gz GTVLPJOUVLDFGJ-IBGZPJMESA-N 0 3 374.441 2.094 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299271098 553540277 /nfs/dbraw/zinc/54/02/77/553540277.db2.gz UPQZMMCQDKLWPN-UHFFFAOYSA-N 0 3 360.414 2.098 20 5 FEBDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299461056 553566667 /nfs/dbraw/zinc/56/66/67/553566667.db2.gz XKGSWKBZKXSABY-SNVBAGLBSA-N 0 3 356.810 2.032 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000299598340 553587020 /nfs/dbraw/zinc/58/70/20/553587020.db2.gz GXQOAURDDXIFQO-AWEZNQCLSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000299668918 553600642 /nfs/dbraw/zinc/60/06/42/553600642.db2.gz MCNVRAKXHKRMHE-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000300127806 553617263 /nfs/dbraw/zinc/61/72/63/553617263.db2.gz HOXQGZRYBXRNLX-VHSXEESVSA-N 0 3 357.208 2.027 20 5 FEBDHN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCc2ccccc2C1 ZINC000301092362 553621045 /nfs/dbraw/zinc/62/10/45/553621045.db2.gz NDSCMIZGAUXXAR-UHFFFAOYSA-N 0 3 369.425 2.338 20 5 FEBDHN CN(C)CCn1cc(Nc2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000301670429 553670570 /nfs/dbraw/zinc/67/05/70/553670570.db2.gz FEQAKCXHLQNIMP-UHFFFAOYSA-N 0 3 355.196 2.254 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301710450 553673553 /nfs/dbraw/zinc/67/35/53/553673553.db2.gz XMYIIELIWYIOFA-NSHDSACASA-N 0 3 372.267 2.190 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301831152 553683264 /nfs/dbraw/zinc/68/32/64/553683264.db2.gz SJZDCHSSXKFTMI-SFHVURJKSA-N 0 3 369.425 2.062 20 5 FEBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000302269601 553713497 /nfs/dbraw/zinc/71/34/97/553713497.db2.gz RQHBJBXQIOHDAP-UHFFFAOYSA-N 0 3 351.407 2.331 20 5 FEBDHN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCc2ccccc2C1 ZINC000505614328 561675311 /nfs/dbraw/zinc/67/53/11/561675311.db2.gz SXYSJYVYQHBDCD-MRXNPFEDSA-N 0 3 357.414 2.131 20 5 FEBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000330433523 554121259 /nfs/dbraw/zinc/12/12/59/554121259.db2.gz XNTCURDAKLHXRN-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000330433053 554121362 /nfs/dbraw/zinc/12/13/62/554121362.db2.gz KRIOVOYZAWEKKU-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000331066689 554208622 /nfs/dbraw/zinc/20/86/22/554208622.db2.gz GEWZWAAHGGGFNL-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331176493 554225959 /nfs/dbraw/zinc/22/59/59/554225959.db2.gz KEUMPOSVASZSPY-MAZHCROVSA-N 0 3 355.460 2.414 20 5 FEBDHN Cc1cc[nH+]c(N2CCN(C(=O)c3[n-]nc(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000332423060 554443976 /nfs/dbraw/zinc/44/39/76/554443976.db2.gz RTHNASNVUQDBBA-UHFFFAOYSA-N 0 3 358.402 2.107 20 5 FEBDHN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000511314450 561864791 /nfs/dbraw/zinc/86/47/91/561864791.db2.gz NMIIMGRYMRMUAF-CYBMUJFWSA-N 0 3 369.425 2.376 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000361584351 554926021 /nfs/dbraw/zinc/92/60/21/554926021.db2.gz YUFXXJDQZBREMW-GOSISDBHSA-N 0 3 369.425 2.481 20 5 FEBDHN Cc1ccccc1CN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000363216314 555056131 /nfs/dbraw/zinc/05/61/31/555056131.db2.gz LDEMHDWDTGKOBI-UHFFFAOYSA-N 0 3 369.425 2.109 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]1CN1CCCC1 ZINC000363343223 555081639 /nfs/dbraw/zinc/08/16/39/555081639.db2.gz PPVPWQDARHYWMR-CYBMUJFWSA-N 0 3 351.378 2.200 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000363372806 555088478 /nfs/dbraw/zinc/08/84/78/555088478.db2.gz VQRWWFMCBFFMJW-UHFFFAOYSA-N 0 3 371.441 2.189 20 5 FEBDHN Cc1cnn(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000363667528 555159656 /nfs/dbraw/zinc/15/96/56/555159656.db2.gz WZYBYLMFWDFNHE-KRWDZBQOSA-N 0 3 360.414 2.177 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794939 555668810 /nfs/dbraw/zinc/66/88/10/555668810.db2.gz LWQJQTXLYHQWLB-XJKSGUPXSA-N 0 3 364.402 2.094 20 5 FEBDHN O=C1NC(=O)[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000366478517 555855995 /nfs/dbraw/zinc/85/59/95/555855995.db2.gz FCCOHQOFPLFMNW-JSGCOSHPSA-N 0 3 371.418 2.418 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)no1 ZINC000366700617 555912356 /nfs/dbraw/zinc/91/23/56/555912356.db2.gz XMSXTBLFXZTCDH-GASCZTMLSA-N 0 3 357.414 2.104 20 5 FEBDHN Cc1ccn(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000366764130 555928130 /nfs/dbraw/zinc/92/81/30/555928130.db2.gz UDZAPRIBOBPHFT-INIZCTEOSA-N 0 3 360.414 2.177 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367296659 556010969 /nfs/dbraw/zinc/01/09/69/556010969.db2.gz RNCBJURLCUXUQN-INIZCTEOSA-N 0 3 366.849 2.162 20 5 FEBDHN CNc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000514770105 561978363 /nfs/dbraw/zinc/97/83/63/561978363.db2.gz LADNNSHKLDIESK-MRXNPFEDSA-N 0 3 370.409 2.455 20 5 FEBDHN CC[C@@H](C)Oc1cc(C)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856326 561983495 /nfs/dbraw/zinc/98/34/95/561983495.db2.gz XVPFQXOXUQBASB-PBHICJAKSA-N 0 3 362.430 2.428 20 5 FEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](N2CCCCC2)C1 ZINC000368037856 556200925 /nfs/dbraw/zinc/20/09/25/556200925.db2.gz UJOPXDOHCFYIHA-CQSZACIVSA-N 0 3 361.398 2.414 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368235859 556255291 /nfs/dbraw/zinc/25/52/91/556255291.db2.gz QYUCPARWYKUBRR-WBVHZDCISA-N 0 3 350.415 2.083 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN(Cc2cccs2)CC1 ZINC000368806894 556418386 /nfs/dbraw/zinc/41/83/86/556418386.db2.gz UGDRSPJZDKHYCV-UHFFFAOYSA-N 0 3 363.443 2.024 20 5 FEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@@H](O)COCc3cccs3)C2)c1 ZINC000369020329 556478398 /nfs/dbraw/zinc/47/83/98/556478398.db2.gz WQRMFNICTULHIP-DZGCQCFKSA-N 0 3 366.443 2.067 20 5 FEBDHN COc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000515756280 562021095 /nfs/dbraw/zinc/02/10/95/562021095.db2.gz VDHDTJZTIDYHQI-ZDUSSCGKSA-N 0 3 371.459 2.004 20 5 FEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369064962 556494267 /nfs/dbraw/zinc/49/42/67/556494267.db2.gz OAXDMCNMQARGJK-UHFFFAOYSA-N 0 3 360.458 2.113 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309786 556571009 /nfs/dbraw/zinc/57/10/09/556571009.db2.gz IAUMMTAHGMKKQB-KBOKABMXSA-N 0 3 372.469 2.094 20 5 FEBDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369996612 556752348 /nfs/dbraw/zinc/75/23/48/556752348.db2.gz FCGZYFYDNOSXOP-SFHVURJKSA-N 0 3 363.462 2.294 20 5 FEBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000370147945 556794349 /nfs/dbraw/zinc/79/43/49/556794349.db2.gz HLTBPTDJCCXINX-PBHICJAKSA-N 0 3 373.457 2.194 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502917 556892866 /nfs/dbraw/zinc/89/28/66/556892866.db2.gz LZPTWJBEKLUCSG-INIZCTEOSA-N 0 3 355.394 2.493 20 5 FEBDHN O=C(CCN1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370899914 557008193 /nfs/dbraw/zinc/00/81/93/557008193.db2.gz QITZNHHTBNUCOO-QGZVFWFLSA-N 0 3 374.441 2.400 20 5 FEBDHN CC(C)[C@H]1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034997 562123745 /nfs/dbraw/zinc/12/37/45/562123745.db2.gz IPOCOYJLKYHJSW-WMLDXEAASA-N 0 3 370.471 2.409 20 5 FEBDHN O=C1NC[C@@]2(CCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)O1 ZINC000372617210 557522220 /nfs/dbraw/zinc/52/22/20/557522220.db2.gz GKZLLSZECASTDT-GOSISDBHSA-N 0 3 372.381 2.367 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)CCc3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373230260 557654456 /nfs/dbraw/zinc/65/44/56/557654456.db2.gz QBUDXMIOAIYSJH-UHFFFAOYSA-N 0 3 357.414 2.629 20 5 FEBDHN CCOC(=O)C1(COC)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373790676 557759797 /nfs/dbraw/zinc/75/97/97/557759797.db2.gz HIFZCMALBXFEIF-UHFFFAOYSA-N 0 3 350.415 2.429 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000373804150 557762623 /nfs/dbraw/zinc/76/26/23/557762623.db2.gz GQXCWSOMYCJFES-AEFFLSMTSA-N 0 3 363.414 2.193 20 5 FEBDHN CCN1CCC(N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000375004414 557962909 /nfs/dbraw/zinc/96/29/09/557962909.db2.gz JVAKOZVQPSSINN-UHFFFAOYSA-N 0 3 372.469 2.433 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375010343 557963703 /nfs/dbraw/zinc/96/37/03/557963703.db2.gz APZYLWIHIHNSGP-JFIYKMOQSA-N 0 3 364.442 2.473 20 5 FEBDHN CCOc1ccc(NC(=O)CNC2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375701085 558069841 /nfs/dbraw/zinc/06/98/41/558069841.db2.gz ALTUEWFRUCSMII-UHFFFAOYSA-N 0 3 363.414 2.481 20 5 FEBDHN O=C(Nc1cccc2c1CNCC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000375966439 558106357 /nfs/dbraw/zinc/10/63/57/558106357.db2.gz ZVLMEOIWYDMYIO-UHFFFAOYSA-N 0 3 364.365 2.074 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376345287 558160841 /nfs/dbraw/zinc/16/08/41/558160841.db2.gz ZQQSBPJLORJOQB-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378345117 558534882 /nfs/dbraw/zinc/53/48/82/558534882.db2.gz HFZKAGMHOFHUBI-AWEZNQCLSA-N 0 3 361.446 2.227 20 5 FEBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000409720257 558716667 /nfs/dbraw/zinc/71/66/67/558716667.db2.gz HXLBZOZWFCNSBR-CYBMUJFWSA-N 0 3 355.822 2.071 20 5 FEBDHN COc1cc(CN2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411972792 558997785 /nfs/dbraw/zinc/99/77/85/558997785.db2.gz OKTWTWXYNZJGSE-CVEARBPZSA-N 0 3 355.394 2.304 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]2CN2CCCC2)c1F ZINC000412038852 559005367 /nfs/dbraw/zinc/00/53/67/559005367.db2.gz JCYIVFLZZDPVBY-CYBMUJFWSA-N 0 3 365.405 2.372 20 5 FEBDHN O=[N+]([O-])c1cnc(NCCCN2CCN(c3ccncc3)CC2)c(F)c1 ZINC000413108466 559078652 /nfs/dbraw/zinc/07/86/52/559078652.db2.gz RONXBWQDRFKTHM-UHFFFAOYSA-N 0 3 360.393 2.148 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413124113 559080621 /nfs/dbraw/zinc/08/06/21/559080621.db2.gz NWKKNRIOADJZPN-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000413152950 559083557 /nfs/dbraw/zinc/08/35/57/559083557.db2.gz JNIBNHXXZVJZBC-YOEHRIQHSA-N 0 3 360.389 2.424 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC(C)(C)S(C)(=O)=O ZINC000414273027 559154774 /nfs/dbraw/zinc/15/47/74/559154774.db2.gz XYICZSPGCSVPTL-GFCCVEGCSA-N 0 3 371.459 2.115 20 5 FEBDHN NC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000415425627 559234676 /nfs/dbraw/zinc/23/46/76/559234676.db2.gz LJRVZPASJCYGIM-AWEZNQCLSA-N 0 3 368.821 2.211 20 5 FEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CNCCO2 ZINC000415965601 559285326 /nfs/dbraw/zinc/28/53/26/559285326.db2.gz ANNQRMCHKINPCI-UHFFFAOYSA-N 0 3 356.382 2.441 20 5 FEBDHN Cn1cc(CN[C@@H]2CCN(CC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418138800 559391541 /nfs/dbraw/zinc/39/15/41/559391541.db2.gz SUMOORFQALFOHW-CQSZACIVSA-N 0 3 365.384 2.424 20 5 FEBDHN Cn1cc(CN[C@H]2CCN(CC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418138799 559391599 /nfs/dbraw/zinc/39/15/99/559391599.db2.gz SUMOORFQALFOHW-AWEZNQCLSA-N 0 3 365.384 2.424 20 5 FEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1CCO ZINC000419338569 559438195 /nfs/dbraw/zinc/43/81/95/559438195.db2.gz LJICXLLJDUJAHX-LSDHHAIUSA-N 0 3 374.441 2.179 20 5 FEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420382989 559484408 /nfs/dbraw/zinc/48/44/08/559484408.db2.gz AVMBKDLPHYWLRO-DUVNUKRYSA-N 0 3 372.400 2.488 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000420470742 559489377 /nfs/dbraw/zinc/48/93/77/559489377.db2.gz XLXBFDCLEOSFAJ-INIZCTEOSA-N 0 3 363.439 2.444 20 5 FEBDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019012 559520021 /nfs/dbraw/zinc/52/00/21/559520021.db2.gz NAJIDJHPUPUWIS-UONOGXRCSA-N 0 3 365.430 2.056 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000421496289 559543666 /nfs/dbraw/zinc/54/36/66/559543666.db2.gz LYKQVCAMEUUBBD-UHFFFAOYSA-N 0 3 372.425 2.477 20 5 FEBDHN COc1cc(C(=O)NCCCNCc2cccnc2)cc([N+](=O)[O-])c1C ZINC000422734587 559604807 /nfs/dbraw/zinc/60/48/07/559604807.db2.gz UBVSCNODEHNTPW-UHFFFAOYSA-N 0 3 358.398 2.217 20 5 FEBDHN CCc1ccc([C@H](NC[C@H]2CNCCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519626 559630942 /nfs/dbraw/zinc/63/09/42/559630942.db2.gz PMDXNBKWEJIREV-VQIMIIECSA-N 0 3 358.442 2.333 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425071385 559686344 /nfs/dbraw/zinc/68/63/44/559686344.db2.gz YSJGZPAWHBCQQX-WCQYABFASA-N 0 3 355.341 2.362 20 5 FEBDHN COc1cc(CN2CC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000425359826 559698171 /nfs/dbraw/zinc/69/81/71/559698171.db2.gz TUFZDLIMBDGJRI-SECBINFHSA-N 0 3 369.328 2.312 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCN1CCCCC1 ZINC000427924759 559765364 /nfs/dbraw/zinc/76/53/64/559765364.db2.gz RJFPZZACMMSFPU-UHFFFAOYSA-N 0 3 358.398 2.124 20 5 FEBDHN CN(C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cccc21 ZINC000432942815 559868266 /nfs/dbraw/zinc/86/82/66/559868266.db2.gz CVPHRMQMCRMXOS-CQSZACIVSA-N 0 3 357.370 2.218 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077817 559871470 /nfs/dbraw/zinc/87/14/70/559871470.db2.gz SULZRNGTHSZXGP-LSDHHAIUSA-N 0 3 358.402 2.418 20 5 FEBDHN CCOC(=O)c1cc(NC[C@H](C)N2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000433707885 559886732 /nfs/dbraw/zinc/88/67/32/559886732.db2.gz FKNQMEWVHQMTLP-AWEZNQCLSA-N 0 3 364.446 2.209 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000433980227 559891925 /nfs/dbraw/zinc/89/19/25/559891925.db2.gz HIIYQXNCASIFCT-CQSZACIVSA-N 0 3 359.430 2.344 20 5 FEBDHN CCOC(=O)[C@]1(COC)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000439464437 559994508 /nfs/dbraw/zinc/99/45/08/559994508.db2.gz CZOALWMRQPJPTE-GOSISDBHSA-N 0 3 366.414 2.265 20 5 FEBDHN CCOC(=O)[C@]1(COC)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000439485243 559995437 /nfs/dbraw/zinc/99/54/37/559995437.db2.gz IOYIVACSJMOTDT-GOSISDBHSA-N 0 3 366.414 2.265 20 5 FEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCO[C@H]21 ZINC000439623479 559998266 /nfs/dbraw/zinc/99/82/66/559998266.db2.gz RJNHZSLTRGSELI-QBPKDAKJSA-N 0 3 359.426 2.493 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000439638183 559998487 /nfs/dbraw/zinc/99/84/87/559998487.db2.gz VCSRUHHPLIKPMQ-COLVAYQJSA-N 0 3 351.403 2.334 20 5 FEBDHN CCC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CCOC ZINC000444689924 560118155 /nfs/dbraw/zinc/11/81/55/560118155.db2.gz POFMXXXCAMZMDW-HNNXBMFYSA-N 0 3 361.446 2.404 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000447427204 560162042 /nfs/dbraw/zinc/16/20/42/560162042.db2.gz PTNZEYDBHAZBPJ-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN O=C1NCCc2ccc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593581 560165029 /nfs/dbraw/zinc/16/50/29/560165029.db2.gz SZOHVNGPKIBCIP-IAGOWNOFSA-N 0 3 369.425 2.351 20 5 FEBDHN COc1ccccc1CCNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449300009 560224317 /nfs/dbraw/zinc/22/43/17/560224317.db2.gz NNWDUXHFVVREKL-OAHLLOKOSA-N 0 3 371.437 2.483 20 5 FEBDHN COC[C@H]1CCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449782088 560239889 /nfs/dbraw/zinc/23/98/89/560239889.db2.gz YNZQSTNRXGHPBT-AWEZNQCLSA-N 0 3 366.414 2.395 20 5 FEBDHN CCOc1cc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309423 560299342 /nfs/dbraw/zinc/29/93/42/560299342.db2.gz WPCXAZDWJAFOID-BFYDXBDKSA-N 0 3 350.415 2.355 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476447 560309269 /nfs/dbraw/zinc/30/92/69/560309269.db2.gz FUZWIVVTFHXFSG-CSMYWGQOSA-N 0 3 363.414 2.335 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500579 560310690 /nfs/dbraw/zinc/31/06/90/560310690.db2.gz OKVROCVJWRTZBR-LSDHHAIUSA-N 0 3 351.403 2.335 20 5 FEBDHN O=c1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c2ccnn21 ZINC000451543462 560313504 /nfs/dbraw/zinc/31/35/04/560313504.db2.gz BVXOFUBLZMSWLE-AWEZNQCLSA-N 0 3 353.382 2.310 20 5 FEBDHN CC(C)[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)C(C)C ZINC000451602837 560316848 /nfs/dbraw/zinc/31/68/48/560316848.db2.gz WDAWCUGILKQBSM-QFBILLFUSA-N 0 3 363.458 2.363 20 5 FEBDHN CNc1nc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456035079 560505159 /nfs/dbraw/zinc/50/51/59/560505159.db2.gz ANUWACJATBEMBO-CJNGLKHVSA-N 0 3 369.425 2.282 20 5 FEBDHN CNc1nc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000456041711 560505342 /nfs/dbraw/zinc/50/53/42/560505342.db2.gz IOUVQBILJOHQOF-AWEZNQCLSA-N 0 3 361.377 2.203 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456701795 560529711 /nfs/dbraw/zinc/52/97/11/560529711.db2.gz VOEZUUUCISLLCW-UHFFFAOYSA-N 0 3 351.451 2.301 20 5 FEBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000457368505 560563923 /nfs/dbraw/zinc/56/39/23/560563923.db2.gz ZJILQNCDOILLTD-KSSFIOAISA-N 0 3 370.409 2.490 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457953665 560596153 /nfs/dbraw/zinc/59/61/53/560596153.db2.gz ZIZRFHPXKQVQBV-CQSZACIVSA-N 0 3 350.419 2.228 20 5 FEBDHN CCOc1ccc(NC(=O)CN2[C@H](C)CN(CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000459454318 560687451 /nfs/dbraw/zinc/68/74/51/560687451.db2.gz DBBFBXLNULFXEN-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000459674113 560701263 /nfs/dbraw/zinc/70/12/63/560701263.db2.gz BOXMPZRRRKJDKK-ZUZCIYMTSA-N 0 3 352.774 2.293 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000460905579 560755140 /nfs/dbraw/zinc/75/51/40/560755140.db2.gz XWFXALUPGOKOCW-UHFFFAOYSA-N 0 3 373.475 2.346 20 5 FEBDHN CNc1c(C(=O)NCC2(SC)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000460978431 560757957 /nfs/dbraw/zinc/75/79/57/560757957.db2.gz ILUNFYLFZBLCNO-UHFFFAOYSA-N 0 3 352.460 2.194 20 5 FEBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463454190 560815687 /nfs/dbraw/zinc/81/56/87/560815687.db2.gz MLKMXMWAORDILH-XQQFMLRXSA-N 0 3 350.341 2.205 20 5 FEBDHN CN(C)[C@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000467221016 560906678 /nfs/dbraw/zinc/90/66/78/560906678.db2.gz YVRAEBCGUFFABW-HNNXBMFYSA-N 0 3 372.878 2.485 20 5 FEBDHN CNC(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636577 561031635 /nfs/dbraw/zinc/03/16/35/561031635.db2.gz GGIYJDMOWHOTNY-CVEARBPZSA-N 0 3 357.414 2.424 20 5 FEBDHN CCN1C[C@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475713846 561103059 /nfs/dbraw/zinc/10/30/59/561103059.db2.gz FSEJUDVGHHDGIH-KGLIPLIRSA-N 0 3 365.430 2.061 20 5 FEBDHN COc1c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000476171852 561112206 /nfs/dbraw/zinc/11/22/06/561112206.db2.gz XFCSECDEYYCLFL-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN C[C@@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813538 562424816 /nfs/dbraw/zinc/42/48/16/562424816.db2.gz ZKGDHDXPFWUCOK-FOIQADDNSA-N 0 3 369.421 2.409 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497932 562510943 /nfs/dbraw/zinc/51/09/43/562510943.db2.gz YSXSIDVYIWQCDQ-AWEZNQCLSA-N 0 3 355.460 2.384 20 5 FEBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908374 562622953 /nfs/dbraw/zinc/62/29/53/562622953.db2.gz KXWWCQZXWRPBBX-ZFWWWQNUSA-N 0 3 355.398 2.369 20 5 FEBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000568568758 568053001 /nfs/dbraw/zinc/05/30/01/568053001.db2.gz JYVORSVHQMIUOZ-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577193 568058696 /nfs/dbraw/zinc/05/86/96/568058696.db2.gz ZTBNFZULYFRILE-XJKSGUPXSA-N 0 3 362.430 2.228 20 5 FEBDHN CCOC(=O)C1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000569474388 568401355 /nfs/dbraw/zinc/40/13/55/568401355.db2.gz CHGHFJPYBSDGTF-UHFFFAOYSA-N 0 3 366.414 2.177 20 5 FEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000736027049 598676502 /nfs/dbraw/zinc/67/65/02/598676502.db2.gz WBSIVLJIBJOQNF-LBPRGKRZSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000736027049 598676503 /nfs/dbraw/zinc/67/65/03/598676503.db2.gz WBSIVLJIBJOQNF-LBPRGKRZSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000736027049 598676505 /nfs/dbraw/zinc/67/65/05/598676505.db2.gz WBSIVLJIBJOQNF-LBPRGKRZSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000736027049 598676507 /nfs/dbraw/zinc/67/65/07/598676507.db2.gz WBSIVLJIBJOQNF-LBPRGKRZSA-N 0 3 368.401 2.102 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)CC2CCCC2)cc1 ZINC000566232631 675196814 /nfs/dbraw/zinc/19/68/14/675196814.db2.gz RPKOADOZLAGPEI-OAHLLOKOSA-N 0 3 370.471 2.147 20 5 FEBDHN CC[C@@H]1CN2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000687 606226653 /nfs/dbraw/zinc/22/66/53/606226653.db2.gz HXBDWLBUNZGEHF-KGLIPLIRSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[NH+](CC)[C@@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180478 606451337 /nfs/dbraw/zinc/45/13/37/606451337.db2.gz DANXACIKOJQQIJ-NSHDSACASA-N 0 3 370.417 2.465 20 5 FEBDHN CC[NH+](CC)[C@@H](C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180478 606451339 /nfs/dbraw/zinc/45/13/39/606451339.db2.gz DANXACIKOJQQIJ-NSHDSACASA-N 0 3 370.417 2.465 20 5 FEBDHN CC(COC(=O)/C=C/c1ccc(I)o1)[N+](=O)[O-] ZINC000813099722 674718981 /nfs/dbraw/zinc/71/89/81/674718981.db2.gz BGDDRYAJYBYAGB-MZTFZBDOSA-N 0 3 351.096 2.106 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813101990 674719114 /nfs/dbraw/zinc/71/91/14/674719114.db2.gz MJYBVAYVVBBBKM-DZGCQCFKSA-N 0 3 350.371 2.244 20 5 FEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[N+](=O)[O-] ZINC000813106016 674720169 /nfs/dbraw/zinc/72/01/69/674720169.db2.gz XNMIAISCTPCRKB-VHSXEESVSA-N 0 3 371.187 2.010 20 5 FEBDHN CC(COC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[N+](=O)[O-] ZINC000813106644 674720603 /nfs/dbraw/zinc/72/06/03/674720603.db2.gz FYRLDWFEIFYLMS-SECBINFHSA-N 0 3 367.358 2.285 20 5 FEBDHN CC(COC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[N+](=O)[O-] ZINC000813106556 674720633 /nfs/dbraw/zinc/72/06/33/674720633.db2.gz DJJFPSNUBFGWMH-ZJUUUORDSA-N 0 3 371.187 2.010 20 5 FEBDHN CC(COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813106536 674720686 /nfs/dbraw/zinc/72/06/86/674720686.db2.gz CWBIURRMFLMWCX-JSGCOSHPSA-N 0 3 352.387 2.331 20 5 FEBDHN CC[N@@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976003 674890936 /nfs/dbraw/zinc/89/09/36/674890936.db2.gz ATPXQTIBQUCCOB-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976003 674890938 /nfs/dbraw/zinc/89/09/38/674890938.db2.gz ATPXQTIBQUCCOB-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078722223 670592594 /nfs/dbraw/zinc/59/25/94/670592594.db2.gz DLODGRCOQNXKQK-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN CCOC(=O)CCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609798148 675936806 /nfs/dbraw/zinc/93/68/06/675936806.db2.gz BUYONSJPZHVJMK-UHFFFAOYSA-N 0 3 350.419 2.235 20 5 FEBDHN CO[C@@]1(C)C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130256 671784468 /nfs/dbraw/zinc/78/44/68/671784468.db2.gz LJTNUXFMXDMHGE-HOCLYGCPSA-N 0 3 356.444 2.162 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494837 672100154 /nfs/dbraw/zinc/10/01/54/672100154.db2.gz HIDSUMQLNKXWNN-CABCVRRESA-N 0 3 369.487 2.079 20 5 FEBDHN CN(C)CCSc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000610680834 675988993 /nfs/dbraw/zinc/98/89/93/675988993.db2.gz DRQITLDUFIMFHL-UHFFFAOYSA-N 0 3 373.500 2.423 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590045985 672556137 /nfs/dbraw/zinc/55/61/37/672556137.db2.gz ZJDCEWQOQCNUPU-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@]1(O)CCOC1 ZINC000592374742 672793906 /nfs/dbraw/zinc/79/39/06/672793906.db2.gz HHZHBLSLROSSNN-INIZCTEOSA-N 0 3 360.357 2.463 20 5 FEBDHN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381051 672794907 /nfs/dbraw/zinc/79/49/07/672794907.db2.gz ZJHAEEQBNSPEQC-VHSXEESVSA-N 0 3 367.349 2.162 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000592543909 672812803 /nfs/dbraw/zinc/81/28/03/672812803.db2.gz XMOJRUPQZNCBLS-WCQYABFASA-N 0 3 355.822 2.472 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccccc3Cl)CCC2)c1 ZINC000593042701 672866888 /nfs/dbraw/zinc/86/68/88/672866888.db2.gz SNDHXCKMDJZHSQ-CYBMUJFWSA-N 0 3 350.806 2.475 20 5 FEBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066558 672871035 /nfs/dbraw/zinc/87/10/35/672871035.db2.gz NOYJIQAJPJWYMC-LRDDRELGSA-N 0 3 364.833 2.467 20 5 FEBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593674400 672976753 /nfs/dbraw/zinc/97/67/53/672976753.db2.gz RRRLHZSQKPYKRB-CQSZACIVSA-N 0 3 352.387 2.148 20 5 FEBDHN COc1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595467290 673254622 /nfs/dbraw/zinc/25/46/22/673254622.db2.gz JYAYRLJRCWUTTR-ZDUSSCGKSA-N 0 3 350.419 2.275 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786486 673290748 /nfs/dbraw/zinc/29/07/48/673290748.db2.gz QKDLRIPDNWFOQA-TXEJJXNPSA-N 0 3 350.375 2.496 20 5 FEBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCN1CC ZINC000596049235 673353932 /nfs/dbraw/zinc/35/39/32/673353932.db2.gz HIISYSKGPGQUDH-CQSZACIVSA-N 0 3 370.475 2.179 20 5 FEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246810 673480922 /nfs/dbraw/zinc/48/09/22/673480922.db2.gz QWQXONWCFPIPML-CMPLNLGQSA-N 0 3 356.329 2.104 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608640 673589894 /nfs/dbraw/zinc/58/98/94/673589894.db2.gz OIFCJYBLUPXLJZ-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000543675044 673660628 /nfs/dbraw/zinc/66/06/28/673660628.db2.gz RCMOBXXSHAPMCL-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625767 673698861 /nfs/dbraw/zinc/69/88/61/673698861.db2.gz OKGHCQPSVXIONE-XMQPUEPBSA-N 0 3 351.403 2.332 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)CCCN3CCCC3)c2)c1 ZINC000601392432 673854116 /nfs/dbraw/zinc/85/41/16/673854116.db2.gz ZOQLSYWHHWDYRR-UHFFFAOYSA-N 0 3 364.427 2.122 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@@]2(O)CCSC2)cc1Br ZINC000602573794 673908405 /nfs/dbraw/zinc/90/84/05/673908405.db2.gz UYWZLSHYEYAFCZ-JTQLQIEISA-N 0 3 353.263 2.376 20 5 FEBDHN [NH3+]C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000567734342 675317543 /nfs/dbraw/zinc/31/75/43/675317543.db2.gz DJONXSZDKFEAJD-XYPYZODXSA-N 0 3 361.851 2.292 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000829559507 675883244 /nfs/dbraw/zinc/88/32/44/675883244.db2.gz AGMRKINWLNYDLE-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000839439736 680752874 /nfs/dbraw/zinc/75/28/74/680752874.db2.gz FDZDSQHPEGVTSD-CYBMUJFWSA-N 0 3 350.375 2.366 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082403 680771713 /nfs/dbraw/zinc/77/17/13/680771713.db2.gz FVBGAQAQQUTNGC-NXEZZACHSA-N 0 3 357.794 2.364 20 5 FEBDHN CN1CCC(N(CCO)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000911935966 685284932 /nfs/dbraw/zinc/28/49/32/685284932.db2.gz SNICRZKNZSAJKV-UHFFFAOYSA-N 0 3 363.439 2.338 20 5 FEBDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000752071840 680221760 /nfs/dbraw/zinc/22/17/60/680221760.db2.gz ZDJUJBLGONDEAY-QWHCGFSZSA-N 0 3 353.423 2.026 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CCO)c2cccs2)c1 ZINC000754380398 680352691 /nfs/dbraw/zinc/35/26/91/680352691.db2.gz CVKHOICIBOXCJZ-HIFRSBDPSA-N 0 3 352.412 2.109 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CCO)c1cccs1 ZINC000754391959 680353921 /nfs/dbraw/zinc/35/39/21/680353921.db2.gz YXUZQCNKQHWXQR-CHWSQXEVSA-N 0 3 352.412 2.109 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836627198 680491741 /nfs/dbraw/zinc/49/17/41/680491741.db2.gz JSTYDOXPAZLATI-LBPRGKRZSA-N 0 3 355.822 2.397 20 5 FEBDHN COCCn1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845879279 681158844 /nfs/dbraw/zinc/15/88/44/681158844.db2.gz IHIWVVNCFXHTIP-IAQYHMDHSA-N 0 3 351.334 2.232 20 5 FEBDHN CC([C@@H](OC(=O)COCc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884394 681159451 /nfs/dbraw/zinc/15/94/51/681159451.db2.gz YVOWFLGGCOZJPR-MEDUHNTESA-N 0 3 351.334 2.026 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000777998905 681554861 /nfs/dbraw/zinc/55/48/61/681554861.db2.gz FZXWSILVEALQLK-GFCCVEGCSA-N 0 3 359.423 2.005 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000848942012 681646158 /nfs/dbraw/zinc/64/61/58/681646158.db2.gz RQJNYIMTZCAHNS-UHFFFAOYSA-N 0 3 361.427 2.348 20 5 FEBDHN C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000914332267 685504248 /nfs/dbraw/zinc/50/42/48/685504248.db2.gz ZLFDXZYUQQMXSD-BBRMVZONSA-N 0 3 353.444 2.061 20 5 FEBDHN CCN1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856722879 682798279 /nfs/dbraw/zinc/79/82/79/682798279.db2.gz BLVJEVUKDHTFJJ-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160218 683315735 /nfs/dbraw/zinc/31/57/35/683315735.db2.gz GDQSRGISNQGHCC-SNVBAGLBSA-N 0 3 371.235 2.357 20 5 FEBDHN CCOc1ccc(C(=O)OC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000861031943 683333875 /nfs/dbraw/zinc/33/38/75/683333875.db2.gz DEXRRUKJYUJWLK-AWEZNQCLSA-N 0 3 352.387 2.261 20 5 FEBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928440920 683451451 /nfs/dbraw/zinc/45/14/51/683451451.db2.gz ODASTVMLOFCCSM-RNCFNFMXSA-N 0 3 356.220 2.109 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000929472569 683601037 /nfs/dbraw/zinc/60/10/37/683601037.db2.gz FJFONFHEKVHEJQ-CYBMUJFWSA-N 0 3 363.443 2.115 20 5 FEBDHN CN1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877935644 686485035 /nfs/dbraw/zinc/48/50/35/686485035.db2.gz QBOWFDTUTIBCDN-UHFFFAOYSA-N 0 3 351.794 2.436 20 5 FEBDHN CN1C[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000878640326 686626054 /nfs/dbraw/zinc/62/60/54/686626054.db2.gz HNAWTDCZYBDONJ-QMTHXVAHSA-N 0 3 363.805 2.434 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878640324 686626152 /nfs/dbraw/zinc/62/61/52/686626152.db2.gz HNAWTDCZYBDONJ-HZMBPMFUSA-N 0 3 363.805 2.434 20 5 FEBDHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135186 687003906 /nfs/dbraw/zinc/00/39/06/687003906.db2.gz RITXYLZJGCISHP-LSDHHAIUSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000881784899 687214968 /nfs/dbraw/zinc/21/49/68/687214968.db2.gz QDBCCONFZCNNQQ-NSHDSACASA-N 0 3 373.862 2.319 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1F ZINC000882767389 687478918 /nfs/dbraw/zinc/47/89/18/687478918.db2.gz MDLYFDSTVMXOCC-UHFFFAOYSA-N 0 3 371.434 2.291 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)c(C)cc1[N+](=O)[O-] ZINC000883479100 687643608 /nfs/dbraw/zinc/64/36/08/687643608.db2.gz MXMUUVICQXYJKP-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN CSc1cccc(C(=O)NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000885879067 688176417 /nfs/dbraw/zinc/17/64/17/688176417.db2.gz CPYMNZJLQVWSGR-CYBMUJFWSA-N 0 3 365.455 2.300 20 5 FEBDHN CN(C)[C@]1(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCSC1 ZINC000892796144 689244895 /nfs/dbraw/zinc/24/48/95/689244895.db2.gz IDMJRDCEMGUEQR-KRWDZBQOSA-N 0 3 362.455 2.296 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(CC3CCOCC3)C2)c1 ZINC000905976292 691204515 /nfs/dbraw/zinc/20/45/15/691204515.db2.gz ABLVFXVRXZLMDB-KRWDZBQOSA-N 0 3 350.415 2.083 20 5 FEBDHN Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868326 721047544 /nfs/dbraw/zinc/04/75/44/721047544.db2.gz NTSWVYCIQFWWAO-IRXDYDNUSA-N 0 3 369.425 2.173 20 5 FEBDHN Nc1nc(Nc2ccc(CCN3CCSCC3)cc2)ncc1[N+](=O)[O-] ZINC000076269439 542252967 /nfs/dbraw/zinc/25/29/67/542252967.db2.gz AYZMLDUIFYKMFV-UHFFFAOYSA-N 0 3 360.443 2.302 20 5 FEBDHN CCN1CCN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043346933 540097991 /nfs/dbraw/zinc/09/79/91/540097991.db2.gz FKDKLUKGUDPDOQ-UHFFFAOYSA-N 0 3 363.462 2.442 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000047147634 540292326 /nfs/dbraw/zinc/29/23/26/540292326.db2.gz ZRWRUGFRDSYSGO-CQSZACIVSA-N 0 3 357.414 2.242 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CC)cc1OC ZINC000053274929 540523073 /nfs/dbraw/zinc/52/30/73/540523073.db2.gz DXULEIPPFARLKZ-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699321 540550391 /nfs/dbraw/zinc/55/03/91/540550391.db2.gz NJUUIDWNOUPJBB-CYBMUJFWSA-N 0 3 355.460 2.384 20 5 FEBDHN O=C(Nc1cnccn1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000054250807 540577889 /nfs/dbraw/zinc/57/78/89/540577889.db2.gz ZZHNQBOLXMMTDV-UHFFFAOYSA-N 0 3 371.397 2.114 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000056890583 540753897 /nfs/dbraw/zinc/75/38/97/540753897.db2.gz LVZVFGWFTYHOMS-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C1CC1 ZINC000057720610 540811535 /nfs/dbraw/zinc/81/15/35/540811535.db2.gz XHNGHFVLVVKVKP-CQSZACIVSA-N 0 3 360.458 2.410 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000062120948 541145210 /nfs/dbraw/zinc/14/52/10/541145210.db2.gz JUHDRTIKAOMDCG-TZMCWYRMSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000065827111 541264584 /nfs/dbraw/zinc/26/45/84/541264584.db2.gz TZGUGXDBBPPDRW-ZBFHGGJFSA-N 0 3 357.414 2.133 20 5 FEBDHN CC1CCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067164368 541427515 /nfs/dbraw/zinc/42/75/15/541427515.db2.gz WIVOASQWVVPXAD-UHFFFAOYSA-N 0 3 357.414 2.242 20 5 FEBDHN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067272094 541438751 /nfs/dbraw/zinc/43/87/51/541438751.db2.gz XNLZVNYYQCJPKA-AWEZNQCLSA-N 0 3 372.429 2.026 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000067273373 541438845 /nfs/dbraw/zinc/43/88/45/541438845.db2.gz RQHNCKASWPIWJE-ZDUSSCGKSA-N 0 3 363.414 2.232 20 5 FEBDHN Cc1ccc(NC(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067487038 541470585 /nfs/dbraw/zinc/47/05/85/541470585.db2.gz UFWZBQIAGAJVPF-HNNXBMFYSA-N 0 3 350.419 2.118 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCN(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068346463 541579737 /nfs/dbraw/zinc/57/97/37/541579737.db2.gz ROHMDHMWRVZJDD-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000068778747 541627401 /nfs/dbraw/zinc/62/74/01/541627401.db2.gz HCWOMHCPMYHJAK-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000069088624 541656552 /nfs/dbraw/zinc/65/65/52/541656552.db2.gz HXBWLDXGSRLTMH-KRWDZBQOSA-N 0 3 357.410 2.287 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000069124588 541660314 /nfs/dbraw/zinc/66/03/14/541660314.db2.gz ZBRDRFCCUQVXBW-KRWDZBQOSA-N 0 3 367.471 2.375 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247388608 549328205 /nfs/dbraw/zinc/32/82/05/549328205.db2.gz LXBYZKTWJKNMKA-SUMWQHHRSA-N 0 3 357.414 2.193 20 5 FEBDHN COc1ccc(CSCC(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000078426852 542461629 /nfs/dbraw/zinc/46/16/29/542461629.db2.gz PKCSIRXDNHBDDJ-UHFFFAOYSA-N 0 3 353.444 2.049 20 5 FEBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000078650952 542474410 /nfs/dbraw/zinc/47/44/10/542474410.db2.gz RSJQVIYXCKOOCV-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079806086 542543704 /nfs/dbraw/zinc/54/37/04/542543704.db2.gz ICOZJDBHUMTEPZ-JTQLQIEISA-N 0 3 356.220 2.381 20 5 FEBDHN Nc1nc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000080697453 542602074 /nfs/dbraw/zinc/60/20/74/542602074.db2.gz KJYVHJCNDYERSK-IBGZPJMESA-N 0 3 368.441 2.460 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000107707524 543276973 /nfs/dbraw/zinc/27/69/73/543276973.db2.gz XNZTVCZCWWVCHD-CQSZACIVSA-N 0 3 371.434 2.373 20 5 FEBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000110514617 543360027 /nfs/dbraw/zinc/36/00/27/543360027.db2.gz CBSJXHMYXNWHFO-INIZCTEOSA-N 0 3 355.398 2.091 20 5 FEBDHN CCOc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000113230544 543478099 /nfs/dbraw/zinc/47/80/99/543478099.db2.gz JPKKHZYVPFQLBW-STQMWFEESA-N 0 3 363.414 2.311 20 5 FEBDHN COc1cc(CN[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119646373 543670190 /nfs/dbraw/zinc/67/01/90/543670190.db2.gz PEZWSUOJULYIEG-SECBINFHSA-N 0 3 352.309 2.405 20 5 FEBDHN COCCCOC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122763241 543722011 /nfs/dbraw/zinc/72/20/11/543722011.db2.gz CXFAGUCHAJFIIQ-UHFFFAOYSA-N 0 3 365.430 2.441 20 5 FEBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2ccncc2)CC1 ZINC000124406214 543819570 /nfs/dbraw/zinc/81/95/70/543819570.db2.gz DSFAPWMLNFMUNH-UHFFFAOYSA-N 0 3 365.393 2.362 20 5 FEBDHN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024484 543856447 /nfs/dbraw/zinc/85/64/47/543856447.db2.gz JOCKNMWYSHTQFQ-IUCAKERBSA-N 0 3 367.349 2.162 20 5 FEBDHN CCOC(=O)c1cc(NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000126068266 543916405 /nfs/dbraw/zinc/91/64/05/543916405.db2.gz CBBBORPNSIMLJN-OAHLLOKOSA-N 0 3 365.430 2.276 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000132878975 544247096 /nfs/dbraw/zinc/24/70/96/544247096.db2.gz JNAKDRWFTOWFLW-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153119856 544736222 /nfs/dbraw/zinc/73/62/22/544736222.db2.gz SBQKDWFJVDUANA-UHFFFAOYSA-N 0 3 359.430 2.208 20 5 FEBDHN Cc1ccc([C@@H](C)NCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000181823349 327748174 /nfs/dbraw/zinc/74/81/74/327748174.db2.gz HXRSDSUUPZKIAU-CYBMUJFWSA-N 0 3 360.414 2.418 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000185527395 327920939 /nfs/dbraw/zinc/92/09/39/327920939.db2.gz BWIVJQAJXSDVDA-KRWDZBQOSA-N 0 3 372.421 2.318 20 5 FEBDHN CN(Cc1ccccc1)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000187458425 328027027 /nfs/dbraw/zinc/02/70/27/328027027.db2.gz BZYYVEQIWIKAHA-GOSISDBHSA-N 0 3 371.441 2.208 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000188253293 328075872 /nfs/dbraw/zinc/07/58/72/328075872.db2.gz QNPWCWDMXHHYTE-UHFFFAOYSA-N 0 3 369.487 2.275 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190007305 328181963 /nfs/dbraw/zinc/18/19/63/328181963.db2.gz ITIWKHBXDDKQGP-KBPBESRZSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000190184239 328193200 /nfs/dbraw/zinc/19/32/00/328193200.db2.gz RFJFJJVNCFMFEJ-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN CN1C(=O)C[C@@H](NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000192155061 328303522 /nfs/dbraw/zinc/30/35/22/328303522.db2.gz GSLIUDXVZLZIMB-GDBMZVCRSA-N 0 3 363.805 2.006 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000192560713 328325905 /nfs/dbraw/zinc/32/59/05/328325905.db2.gz BBHZQJBLQMOFNI-UHFFFAOYSA-N 0 3 374.445 2.023 20 5 FEBDHN CC1CCN(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053512538 324742678 /nfs/dbraw/zinc/74/26/78/324742678.db2.gz JKDZFKJHNQJOOG-UHFFFAOYSA-N 0 3 371.441 2.457 20 5 FEBDHN Nc1c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000081293441 325168528 /nfs/dbraw/zinc/16/85/28/325168528.db2.gz LBHACNIKYDJODH-CYBMUJFWSA-N 0 3 350.394 2.310 20 5 FEBDHN CC(=O)N(C)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092538092 325418787 /nfs/dbraw/zinc/41/87/87/325418787.db2.gz JFGAHBOWWWDSJV-UHFFFAOYSA-N 0 3 371.441 2.438 20 5 FEBDHN Cc1nn(C)c(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000098098790 325466302 /nfs/dbraw/zinc/46/63/02/325466302.db2.gz GOBQYIUVYHHPPA-UHFFFAOYSA-N 0 3 371.441 2.340 20 5 FEBDHN Cc1ccc(CN2CCC(CNC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000106828973 325612201 /nfs/dbraw/zinc/61/22/01/325612201.db2.gz RSLYAVTYFYUHEI-UHFFFAOYSA-N 0 3 371.441 2.128 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245778272 328572049 /nfs/dbraw/zinc/57/20/49/328572049.db2.gz QCDVQPQMTCYAHY-YYWXWVFPSA-N 0 3 363.414 2.478 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000118787539 326102324 /nfs/dbraw/zinc/10/23/24/326102324.db2.gz CEMZEDFYVFYWPT-OAHLLOKOSA-N 0 3 350.419 2.478 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000119446082 326163427 /nfs/dbraw/zinc/16/34/27/326163427.db2.gz NOCPUDGYWGZQAH-LLVKDONJSA-N 0 3 373.862 2.319 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000119445956 326163620 /nfs/dbraw/zinc/16/36/20/326163620.db2.gz NOCPUDGYWGZQAH-NSHDSACASA-N 0 3 373.862 2.319 20 5 FEBDHN Cc1c(Br)cc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000119778939 326197273 /nfs/dbraw/zinc/19/72/73/326197273.db2.gz SKYBNQFLDULPKZ-NSHDSACASA-N 0 3 356.220 2.490 20 5 FEBDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000121686109 326358199 /nfs/dbraw/zinc/35/81/99/326358199.db2.gz PFOBTRJYMQZMSQ-UHFFFAOYSA-N 0 3 364.446 2.422 20 5 FEBDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121720521 326361170 /nfs/dbraw/zinc/36/11/70/326361170.db2.gz DVFYXHCGKCCQQF-UHFFFAOYSA-N 0 3 350.419 2.114 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151644298 326687673 /nfs/dbraw/zinc/68/76/73/326687673.db2.gz QCEBGAJNAOMZTO-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000163612911 327055153 /nfs/dbraw/zinc/05/51/53/327055153.db2.gz GPWUFZHDHALEOS-GDBMZVCRSA-N 0 3 369.487 2.129 20 5 FEBDHN Cc1cc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000164813731 327074402 /nfs/dbraw/zinc/07/44/02/327074402.db2.gz ICYAHVXZNFZFKR-KRWDZBQOSA-N 0 3 373.409 2.457 20 5 FEBDHN C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H](N)c1ccccc1 ZINC000169189025 327088236 /nfs/dbraw/zinc/08/82/36/327088236.db2.gz OEAXFBGBXYONFS-DHSIGJKJSA-N 0 3 369.425 2.339 20 5 FEBDHN COCCN(C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171127670 327119968 /nfs/dbraw/zinc/11/99/68/327119968.db2.gz ACAZUQVGJHUQNI-UHFFFAOYSA-N 0 3 364.427 2.026 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902793 327168905 /nfs/dbraw/zinc/16/89/05/327168905.db2.gz ATUZIMBBESNLPN-CJNGLKHVSA-N 0 3 350.419 2.066 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173259855 327244807 /nfs/dbraw/zinc/24/48/07/327244807.db2.gz IPIGHEZTMUJLDO-CJNGLKHVSA-N 0 3 355.460 2.087 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173288286 327247137 /nfs/dbraw/zinc/24/71/37/327247137.db2.gz YOTARQXFUBGLIY-KRWDZBQOSA-N 0 3 360.458 2.145 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000173518602 327263414 /nfs/dbraw/zinc/26/34/14/327263414.db2.gz RQMYHUPCAHCNKN-HNNXBMFYSA-N 0 3 371.441 2.223 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000173828132 327287248 /nfs/dbraw/zinc/28/72/48/327287248.db2.gz JJHDEDZOXVDWHV-HOCLYGCPSA-N 0 3 367.471 2.405 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000173850322 327288872 /nfs/dbraw/zinc/28/88/72/327288872.db2.gz BEJGLRSZNFWGNN-QWHCGFSZSA-N 0 3 371.434 2.370 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCc3cnccc32)c(S(=O)(=O)N2CCCC2)c1 ZINC000175006297 327367498 /nfs/dbraw/zinc/36/74/98/327367498.db2.gz AFVOFSNBGAFSBF-UHFFFAOYSA-N 0 3 374.422 2.469 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170659 327377958 /nfs/dbraw/zinc/37/79/58/327377958.db2.gz UGLAULVYRCYQBC-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1ccc(CNC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176288236 327446415 /nfs/dbraw/zinc/44/64/15/327446415.db2.gz JMDHPIFTYNUFBZ-UHFFFAOYSA-N 0 3 371.441 2.128 20 5 FEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H](N2CCCCC2)C1 ZINC000264557335 329035408 /nfs/dbraw/zinc/03/54/08/329035408.db2.gz DWGHPVMGYQZFSS-CYBMUJFWSA-N 0 3 361.398 2.066 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264942406 329077027 /nfs/dbraw/zinc/07/70/27/329077027.db2.gz WIHWGDCCJOGOKO-CQSZACIVSA-N 0 3 374.441 2.344 20 5 FEBDHN COc1cc(CNC[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265093333 329090150 /nfs/dbraw/zinc/09/01/50/329090150.db2.gz OJEYKXOTKAZRTG-GFCCVEGCSA-N 0 3 364.320 2.405 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530216 329233174 /nfs/dbraw/zinc/23/31/74/329233174.db2.gz LXOWVAJFZJAMIY-XJKSGUPXSA-N 0 3 350.806 2.295 20 5 FEBDHN CC[C@@H](NC(=O)NCCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000267297179 329311850 /nfs/dbraw/zinc/31/18/50/329311850.db2.gz DXHCIHLTDLUADA-MRXNPFEDSA-N 0 3 352.435 2.313 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl ZINC000270762090 329629393 /nfs/dbraw/zinc/62/93/93/329629393.db2.gz FSPGSFXEQLMOBC-UHFFFAOYSA-N 0 3 367.793 2.174 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000273520876 329871393 /nfs/dbraw/zinc/87/13/93/329871393.db2.gz OCPNAWAYMPZDGY-LLVKDONJSA-N 0 3 359.423 2.085 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000273526656 329871806 /nfs/dbraw/zinc/87/18/06/329871806.db2.gz ZTBBAPQZLGIDOD-ZDUSSCGKSA-N 0 3 364.446 2.475 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1F ZINC000273550779 329873822 /nfs/dbraw/zinc/87/38/22/329873822.db2.gz VWFQEPLSQVUPGM-GFCCVEGCSA-N 0 3 373.450 2.393 20 5 FEBDHN CN(C)CCOc1ccccc1-c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000273792420 329892174 /nfs/dbraw/zinc/89/21/74/329892174.db2.gz GTGPAZROSDHUFT-UHFFFAOYSA-N 0 3 372.385 2.024 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1OC ZINC000275173893 330018407 /nfs/dbraw/zinc/01/84/07/330018407.db2.gz BYUOGDKHAYXQHG-LNSITVRQSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000275882990 330099653 /nfs/dbraw/zinc/09/96/53/330099653.db2.gz OMEIPXHPHJIIQP-ZDUSSCGKSA-N 0 3 362.430 2.030 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000275882987 330099687 /nfs/dbraw/zinc/09/96/87/330099687.db2.gz OMEIPXHPHJIIQP-CYBMUJFWSA-N 0 3 362.430 2.030 20 5 FEBDHN CC(C)CS(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478301344 561163961 /nfs/dbraw/zinc/16/39/61/561163961.db2.gz WJHPMUVYHBLMAH-UHFFFAOYSA-N 0 3 373.450 2.274 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000161308404 546118825 /nfs/dbraw/zinc/11/88/25/546118825.db2.gz VLHZJRTWYZQBLX-GDBMZVCRSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161310263 546119388 /nfs/dbraw/zinc/11/93/88/546119388.db2.gz WYVUOYOGOIWKJK-UHFFFAOYSA-N 0 3 355.398 2.059 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000176193690 546418142 /nfs/dbraw/zinc/41/81/42/546418142.db2.gz FGFZBEPOTMHJAQ-UHFFFAOYSA-N 0 3 364.446 2.283 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000480277449 561206311 /nfs/dbraw/zinc/20/63/11/561206311.db2.gz WWXNRSUDXLUEJU-QGZVFWFLSA-N 0 3 366.487 2.340 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177796242 546688897 /nfs/dbraw/zinc/68/88/97/546688897.db2.gz JTGOBMKNNLTRSG-PBHICJAKSA-N 0 3 369.425 2.479 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178307640 546773411 /nfs/dbraw/zinc/77/34/11/546773411.db2.gz GJSCUXJNEYMIQI-HZPDHXFCSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000481375569 561231684 /nfs/dbraw/zinc/23/16/84/561231684.db2.gz PGGKLDMXZYMLFN-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000180582661 547135122 /nfs/dbraw/zinc/13/51/22/547135122.db2.gz SWMKGGBHGAPCJF-UKRRQHHQSA-N 0 3 369.425 2.355 20 5 FEBDHN CN1CCN([C@H]2CCCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909915 547571175 /nfs/dbraw/zinc/57/11/75/547571175.db2.gz FRFROMJPJXADKD-SFHVURJKSA-N 0 3 362.474 2.076 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000183408061 547653394 /nfs/dbraw/zinc/65/33/94/547653394.db2.gz SEIKVDVYRBKRLN-MRXNPFEDSA-N 0 3 355.398 2.139 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183652860 547696758 /nfs/dbraw/zinc/69/67/58/547696758.db2.gz OBYGFGHVDBAKPT-HNNXBMFYSA-N 0 3 353.419 2.319 20 5 FEBDHN CC[C@H]1CCCCN1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183662501 547697292 /nfs/dbraw/zinc/69/72/92/547697292.db2.gz QIODNEQPDRYGLV-INIZCTEOSA-N 0 3 369.487 2.321 20 5 FEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638223 561301950 /nfs/dbraw/zinc/30/19/50/561301950.db2.gz XAZZDBDBYKJAFM-XNRPHZJLSA-N 0 3 351.403 2.014 20 5 FEBDHN CSc1cccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000485500221 561320582 /nfs/dbraw/zinc/32/05/82/561320582.db2.gz XTJGVRBRONLNIB-DGCLKSJQSA-N 0 3 355.485 2.434 20 5 FEBDHN CCOc1ccc(NC(=O)CN(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186991928 548237307 /nfs/dbraw/zinc/23/73/07/548237307.db2.gz WGLPCLDQKGHZHQ-UHFFFAOYSA-N 0 3 364.446 2.348 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCN(CC4CCOCC4)CC3)n2)cc1 ZINC000486961562 561360344 /nfs/dbraw/zinc/36/03/44/561360344.db2.gz CPVCWTUFTBEVRQ-UHFFFAOYSA-N 0 3 373.413 2.193 20 5 FEBDHN CC(C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000487914578 561378691 /nfs/dbraw/zinc/37/86/91/561378691.db2.gz JFJSNVQRHAUNKL-QGZVFWFLSA-N 0 3 357.458 2.249 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245771116 548992685 /nfs/dbraw/zinc/99/26/85/548992685.db2.gz XFJRMUDBQUWWMM-YOEHRIQHSA-N 0 3 369.487 2.129 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000246150961 549063772 /nfs/dbraw/zinc/06/37/72/549063772.db2.gz LAOXYFNAQLSEKK-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2CCC[C@H]2C1 ZINC000246328529 549107375 /nfs/dbraw/zinc/10/73/75/549107375.db2.gz KZERZRSALOWNQK-YPMHNXCESA-N 0 3 352.822 2.355 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000246806142 549217408 /nfs/dbraw/zinc/21/74/08/549217408.db2.gz AJBXVDKDKQFQNF-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCO[C@H]1C ZINC000489442791 561411478 /nfs/dbraw/zinc/41/14/78/561411478.db2.gz WOTWPFQGDSRCBA-WMLDXEAASA-N 0 3 365.430 2.358 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249659173 549615473 /nfs/dbraw/zinc/61/54/73/549615473.db2.gz VVCWICDKCQEHEK-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000253358743 549683967 /nfs/dbraw/zinc/68/39/67/549683967.db2.gz RTLDUQBARJXQEQ-OCCSQVGLSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261616529 549734638 /nfs/dbraw/zinc/73/46/38/549734638.db2.gz CMSFLCXMRFXKIV-CWRNSKLLSA-N 0 3 354.410 2.349 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000261707204 549746289 /nfs/dbraw/zinc/74/62/89/549746289.db2.gz MEJOFWWRCWZKBE-JKSUJKDBSA-N 0 3 361.423 2.019 20 5 FEBDHN CS[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000490860392 561439381 /nfs/dbraw/zinc/43/93/81/561439381.db2.gz ROROUIMRCZDAST-CABCVRRESA-N 0 3 351.472 2.376 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268535771 550083378 /nfs/dbraw/zinc/08/33/78/550083378.db2.gz JSMUYENHMAJPRP-QGZVFWFLSA-N 0 3 371.441 2.223 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H]2COCC[C@H]21 ZINC000268971348 550138961 /nfs/dbraw/zinc/13/89/61/550138961.db2.gz MXFOTBAECFWNNI-CVEARBPZSA-N 0 3 365.455 2.438 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000493036943 561454288 /nfs/dbraw/zinc/45/42/88/561454288.db2.gz XHXMCBGSXCJDPE-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC=CC2)C1 ZINC000272457604 550449981 /nfs/dbraw/zinc/44/99/81/550449981.db2.gz GTVACCCDRFTISO-OAHLLOKOSA-N 0 3 364.833 2.446 20 5 FEBDHN Cc1c(NC(=O)CCN2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276992749 550619382 /nfs/dbraw/zinc/61/93/82/550619382.db2.gz UZWICHZGPAUPPY-UHFFFAOYSA-N 0 3 356.382 2.391 20 5 FEBDHN CCOC(=O)c1nnc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[n-]1 ZINC000277900663 550727039 /nfs/dbraw/zinc/72/70/39/550727039.db2.gz WQBNERHRUPSQKW-UHFFFAOYSA-N 0 3 373.413 2.312 20 5 FEBDHN CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000278314466 550771826 /nfs/dbraw/zinc/77/18/26/550771826.db2.gz HKBNUDNABJBVTG-WDEREUQCSA-N 0 3 350.366 2.490 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(OC)c2)N(C)C)n1 ZINC000280651611 551017472 /nfs/dbraw/zinc/01/74/72/551017472.db2.gz AEHOURHHRFHVAZ-INIZCTEOSA-N 0 3 374.397 2.500 20 5 FEBDHN COc1cc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000281576090 551115401 /nfs/dbraw/zinc/11/54/01/551115401.db2.gz FMBACBOAQVCJQE-UHFFFAOYSA-N 0 3 352.435 2.050 20 5 FEBDHN CN(CC1CC1)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497534552 561503404 /nfs/dbraw/zinc/50/34/04/561503404.db2.gz RDSNNFZHQFJZMB-AWEZNQCLSA-N 0 3 367.471 2.166 20 5 FEBDHN O=C(CCN1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157270 551320779 /nfs/dbraw/zinc/32/07/79/551320779.db2.gz CTLRIEYBOSKLSG-JSGCOSHPSA-N 0 3 361.320 2.311 20 5 FEBDHN Cc1cc(F)c(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000283672148 551406969 /nfs/dbraw/zinc/40/69/69/551406969.db2.gz DZPNWFKSWTYHBS-LBPRGKRZSA-N 0 3 367.425 2.047 20 5 FEBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000288012874 552074743 /nfs/dbraw/zinc/07/47/43/552074743.db2.gz CAQSPDWFGJTWQI-AWEZNQCLSA-N 0 3 361.402 2.138 20 5 FEBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000288012874 552074744 /nfs/dbraw/zinc/07/47/44/552074744.db2.gz CAQSPDWFGJTWQI-AWEZNQCLSA-N 0 3 361.402 2.138 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000288273137 552123703 /nfs/dbraw/zinc/12/37/03/552123703.db2.gz GYMOUXPHAMKHBU-QWHCGFSZSA-N 0 3 363.414 2.311 20 5 FEBDHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000500548596 561576696 /nfs/dbraw/zinc/57/66/96/561576696.db2.gz VFPPDBIMLZJNSR-BXUZGUMPSA-N 0 3 361.851 2.056 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](n2cc(C)cn2)C1 ZINC000289795329 552379961 /nfs/dbraw/zinc/37/99/61/552379961.db2.gz HYLOFWTXAGBJOK-HNNXBMFYSA-N 0 3 373.413 2.384 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCn3cc(CO)nn3)o2)cc1 ZINC000289870827 552391970 /nfs/dbraw/zinc/39/19/70/552391970.db2.gz PANFOKUPTREPFX-UHFFFAOYSA-N 0 3 357.370 2.119 20 5 FEBDHN NC(=O)c1ccnc(N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000290492537 552487882 /nfs/dbraw/zinc/48/78/82/552487882.db2.gz JLFJDICPMGSWHJ-OAHLLOKOSA-N 0 3 355.398 2.338 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290740117 552529439 /nfs/dbraw/zinc/52/94/39/552529439.db2.gz YSUFRHNFIYABKX-HNNXBMFYSA-N 0 3 363.393 2.048 20 5 FEBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501100200 561589960 /nfs/dbraw/zinc/58/99/60/561589960.db2.gz NSLVDZHOAZHQLJ-QGZVFWFLSA-N 0 3 350.419 2.080 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291618459 552644230 /nfs/dbraw/zinc/64/42/30/552644230.db2.gz BZTDPIDAGSPSHN-HNNXBMFYSA-N 0 3 373.862 2.273 20 5 FEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@]2(CCN(C)C2)C1 ZINC000292241963 552707971 /nfs/dbraw/zinc/70/79/71/552707971.db2.gz JNTBPCSMZGQZOI-QGZVFWFLSA-N 0 3 351.378 2.443 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292370620 552720579 /nfs/dbraw/zinc/72/05/79/552720579.db2.gz RZGGACVTARYTNJ-CYBMUJFWSA-N 0 3 362.430 2.477 20 5 FEBDHN COc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCCO ZINC000293733329 552851280 /nfs/dbraw/zinc/85/12/80/552851280.db2.gz MZZYCIKEXUALEM-GFCCVEGCSA-N 0 3 361.398 2.408 20 5 FEBDHN C[C@H](NCCn1cc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294052098 552878319 /nfs/dbraw/zinc/87/83/19/552878319.db2.gz GQXKDAGWLCZPPC-VIFPVBQESA-N 0 3 354.208 2.487 20 5 FEBDHN CS(=O)(=O)CC1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000294562159 552915847 /nfs/dbraw/zinc/91/58/47/552915847.db2.gz FWPAEIFAQINPTM-UHFFFAOYSA-N 0 3 366.443 2.164 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295209946 552970174 /nfs/dbraw/zinc/97/01/74/552970174.db2.gz XDKJDDULVRTOAK-UHFFFAOYSA-N 0 3 355.822 2.133 20 5 FEBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098107 553104482 /nfs/dbraw/zinc/10/44/82/553104482.db2.gz HTNHMOHJNZOZDY-JKSUJKDBSA-N 0 3 363.414 2.479 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277648 553133572 /nfs/dbraw/zinc/13/35/72/553133572.db2.gz OREPDJXOGMJOFJ-BMGDILEWSA-N 0 3 357.410 2.031 20 5 FEBDHN COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296735163 553204702 /nfs/dbraw/zinc/20/47/02/553204702.db2.gz OITZNVAOLCOQDG-SUMWQHHRSA-N 0 3 374.393 2.472 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298171196 553393491 /nfs/dbraw/zinc/39/34/91/553393491.db2.gz QLQSTCJDBUGDKM-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000503452811 561641751 /nfs/dbraw/zinc/64/17/51/561641751.db2.gz IDUGWWWTAFKXAM-PBHICJAKSA-N 0 3 369.487 2.272 20 5 FEBDHN Nc1nc(NCC2(N3CCSCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000301233627 553633843 /nfs/dbraw/zinc/63/38/43/553633843.db2.gz KOBMPCVAGULSQM-UHFFFAOYSA-N 0 3 352.464 2.131 20 5 FEBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301510530 553656907 /nfs/dbraw/zinc/65/69/07/553656907.db2.gz CYRKUEYOUZYAOO-LBPRGKRZSA-N 0 3 373.251 2.257 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523673 553658135 /nfs/dbraw/zinc/65/81/35/553658135.db2.gz GUFHHHZKJGIMTA-HIFRSBDPSA-N 0 3 371.441 2.336 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301836667 553683943 /nfs/dbraw/zinc/68/39/43/553683943.db2.gz XKIRCLYFXNYLAF-HNNXBMFYSA-N 0 3 352.822 2.167 20 5 FEBDHN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)CN(C)C1CC1 ZINC000314610125 553759730 /nfs/dbraw/zinc/75/97/30/553759730.db2.gz YVWQUSYHEDABLQ-GFCCVEGCSA-N 0 3 359.220 2.500 20 5 FEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCC(CN4CCOCC4)CC3)c21 ZINC000509053218 561782751 /nfs/dbraw/zinc/78/27/51/561782751.db2.gz MTKVHWAWDGOGCC-UHFFFAOYSA-N 0 3 357.414 2.087 20 5 FEBDHN CCN1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000332056203 554371399 /nfs/dbraw/zinc/37/13/99/554371399.db2.gz OSYDOFVUMZKWRX-KGLIPLIRSA-N 0 3 362.430 2.307 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071218 554374113 /nfs/dbraw/zinc/37/41/13/554374113.db2.gz CCAIPZRRAANSTF-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN CC(C)[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000510890506 561849674 /nfs/dbraw/zinc/84/96/74/561849674.db2.gz RVTNYHDCYADEKS-OAHLLOKOSA-N 0 3 374.401 2.008 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000359960265 554857477 /nfs/dbraw/zinc/85/74/77/554857477.db2.gz ZGSOYHZPIFKXTE-GFCCVEGCSA-N 0 3 359.835 2.107 20 5 FEBDHN Cc1cc(C2=CCN([C@@H](C)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000362002942 554943053 /nfs/dbraw/zinc/94/30/53/554943053.db2.gz KGPMQJYIOYAZNU-HNNXBMFYSA-N 0 3 360.458 2.295 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787824 554988521 /nfs/dbraw/zinc/98/85/21/554988521.db2.gz LCBLCUDWFQLBKC-SJORKVTESA-N 0 3 374.441 2.132 20 5 FEBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363348312 555082887 /nfs/dbraw/zinc/08/28/87/555082887.db2.gz FCEFONYSNUVQAO-MRXNPFEDSA-N 0 3 371.441 2.304 20 5 FEBDHN CCOc1ccc(C(=O)N2CCCN(CCCOC)CC2)cc1[N+](=O)[O-] ZINC000363635102 555151872 /nfs/dbraw/zinc/15/18/72/555151872.db2.gz RQRATQAWULTAIQ-UHFFFAOYSA-N 0 3 365.430 2.178 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000363641093 555152874 /nfs/dbraw/zinc/15/28/74/555152874.db2.gz JHVMTTFPPIRNFJ-CYBMUJFWSA-N 0 3 358.402 2.230 20 5 FEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000363695448 555166293 /nfs/dbraw/zinc/16/62/93/555166293.db2.gz BBFUEXDYJRGZNQ-SJORKVTESA-N 0 3 372.400 2.367 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364308404 555288587 /nfs/dbraw/zinc/28/85/87/555288587.db2.gz XABFMCOPYJGARC-HUUCEWRRSA-N 0 3 359.357 2.309 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556370 555337630 /nfs/dbraw/zinc/33/76/30/555337630.db2.gz JBMBAKZYUVJMFT-HYVNUMGLSA-N 0 3 361.442 2.143 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000365652148 555632622 /nfs/dbraw/zinc/63/26/22/555632622.db2.gz YWNKDHBUKSAIGG-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CCN3CCOCC3)CC2)cc1 ZINC000513820429 561951466 /nfs/dbraw/zinc/95/14/66/561951466.db2.gz PAXBOLTVLIFZFZ-UHFFFAOYSA-N 0 3 363.458 2.408 20 5 FEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446417 556051533 /nfs/dbraw/zinc/05/15/33/556051533.db2.gz DVXWYRRUEWYDSM-HOTGVXAUSA-N 0 3 364.402 2.236 20 5 FEBDHN Cc1cccc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000367454465 556054025 /nfs/dbraw/zinc/05/40/25/556054025.db2.gz QFZSNBGYGINJMO-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000514963403 561989050 /nfs/dbraw/zinc/98/90/50/561989050.db2.gz OLDHSSNAATXVAV-GOSISDBHSA-N 0 3 355.398 2.056 20 5 FEBDHN COCc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000515414289 562009608 /nfs/dbraw/zinc/00/96/08/562009608.db2.gz FSNJRIKAAUZUTN-INIZCTEOSA-N 0 3 364.373 2.410 20 5 FEBDHN O=C1[C@@H](N2CCC[C@@H](N3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582488 556638493 /nfs/dbraw/zinc/63/84/93/556638493.db2.gz BNIJZFKZIOSGAQ-MSOLQXFVSA-N 0 3 358.442 2.260 20 5 FEBDHN O=C(CC1(N2CCOCC2)CCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000369649012 556657999 /nfs/dbraw/zinc/65/79/99/556657999.db2.gz QGMYFYIGSMOIKI-UHFFFAOYSA-N 0 3 361.442 2.289 20 5 FEBDHN CCc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC000516281813 562038605 /nfs/dbraw/zinc/03/86/05/562038605.db2.gz BESDQJXTZIZKSY-CYBMUJFWSA-N 0 3 355.460 2.167 20 5 FEBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336585 557152063 /nfs/dbraw/zinc/15/20/63/557152063.db2.gz RVHVUXYQHNIRAE-DOTOQJQBSA-N 0 3 360.414 2.295 20 5 FEBDHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000371534476 557213074 /nfs/dbraw/zinc/21/30/74/557213074.db2.gz FPBQQBSDEVKBQS-ZHALLVOQSA-N 0 3 372.469 2.289 20 5 FEBDHN CSc1cccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000373608241 557728408 /nfs/dbraw/zinc/72/84/08/557728408.db2.gz JXHIOGHKHQRMPR-CYBMUJFWSA-N 0 3 365.455 2.300 20 5 FEBDHN CSc1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000373608262 557728522 /nfs/dbraw/zinc/72/85/22/557728522.db2.gz JXHIOGHKHQRMPR-ZDUSSCGKSA-N 0 3 365.455 2.300 20 5 FEBDHN Cc1cc(C2=CCN(CCN3CCOC[C@@H]3C)CC2)cc([N+](=O)[O-])c1N ZINC000374165620 557835293 /nfs/dbraw/zinc/83/52/93/557835293.db2.gz ZNCRXTHOXFAFNZ-HNNXBMFYSA-N 0 3 360.458 2.295 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550190 557898188 /nfs/dbraw/zinc/89/81/88/557898188.db2.gz HPRUKOJYYVAODU-STQMWFEESA-N 0 3 362.352 2.207 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550189 557898303 /nfs/dbraw/zinc/89/83/03/557898303.db2.gz HPRUKOJYYVAODU-QWHCGFSZSA-N 0 3 362.352 2.207 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521174855 562170883 /nfs/dbraw/zinc/17/08/83/562170883.db2.gz PNQUHBGMFBPTEF-CQSZACIVSA-N 0 3 350.419 2.277 20 5 FEBDHN O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967340 557957463 /nfs/dbraw/zinc/95/74/63/557957463.db2.gz AXXRAPNIRRJKJQ-OWCLPIDISA-N 0 3 369.425 2.348 20 5 FEBDHN O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967340 557957465 /nfs/dbraw/zinc/95/74/65/557957465.db2.gz AXXRAPNIRRJKJQ-OWCLPIDISA-N 0 3 369.425 2.348 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000375292199 558005063 /nfs/dbraw/zinc/00/50/63/558005063.db2.gz LXYVJAZNIISFNI-UHFFFAOYSA-N 0 3 351.357 2.282 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000375906661 558097649 /nfs/dbraw/zinc/09/76/49/558097649.db2.gz WEKBWOOSUZGFRV-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN Cc1c(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000377489535 558350183 /nfs/dbraw/zinc/35/01/83/558350183.db2.gz ALOHCSMPPNGEPR-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN Cc1c(CC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000378249605 558511521 /nfs/dbraw/zinc/51/15/21/558511521.db2.gz LDLLDHDXZLQDEW-GOSISDBHSA-N 0 3 374.485 2.073 20 5 FEBDHN COCCCN1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000378349499 558535356 /nfs/dbraw/zinc/53/53/56/558535356.db2.gz JRGUNSUOZKXJPI-UHFFFAOYSA-N 0 3 367.446 2.156 20 5 FEBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000409711008 558715389 /nfs/dbraw/zinc/71/53/89/558715389.db2.gz JFUDCZJJAQPBFT-ZDUSSCGKSA-N 0 3 355.822 2.071 20 5 FEBDHN COc1cc(C(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000411094024 558838385 /nfs/dbraw/zinc/83/83/85/558838385.db2.gz FESYSLUMCPVICQ-UHFFFAOYSA-N 0 3 361.345 2.275 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000411887030 558983210 /nfs/dbraw/zinc/98/32/10/558983210.db2.gz YLRDWLBLRBZSOX-HIFRSBDPSA-N 0 3 363.414 2.289 20 5 FEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411964372 558996175 /nfs/dbraw/zinc/99/61/75/558996175.db2.gz IODXVHYAASIOQO-IBGZPJMESA-N 0 3 355.394 2.103 20 5 FEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411975246 558998372 /nfs/dbraw/zinc/99/83/72/558998372.db2.gz ZZJUWYORIYTGPV-IBGZPJMESA-N 0 3 366.377 2.365 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1F ZINC000412169207 559018079 /nfs/dbraw/zinc/01/80/79/559018079.db2.gz IATVDDRDXQVMBS-QWRGUYRKSA-N 0 3 351.378 2.026 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416663096 559328458 /nfs/dbraw/zinc/32/84/58/559328458.db2.gz PRODMJBZHADZKU-UHFFFAOYSA-N 0 3 355.460 2.231 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@@H]2CNCCC2(F)F)c([N+](=O)[O-])c1 ZINC000417724877 559374070 /nfs/dbraw/zinc/37/40/70/559374070.db2.gz ZNBDNEGYZGNRCM-CQSZACIVSA-N 0 3 371.388 2.002 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420470568 559489310 /nfs/dbraw/zinc/48/93/10/559489310.db2.gz XBTCYADFMOKLIG-KRWDZBQOSA-N 0 3 363.439 2.277 20 5 FEBDHN CCN1CCC([N@@H+]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000420983368 559517272 /nfs/dbraw/zinc/51/72/72/559517272.db2.gz QWFZBSCPLODMCD-UHFFFAOYSA-N 0 3 362.474 2.292 20 5 FEBDHN CCN1CCC([N@H+]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000420983368 559517273 /nfs/dbraw/zinc/51/72/73/559517273.db2.gz QWFZBSCPLODMCD-UHFFFAOYSA-N 0 3 362.474 2.292 20 5 FEBDHN CC[NH+]1CCC(N2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000420983368 559517274 /nfs/dbraw/zinc/51/72/74/559517274.db2.gz QWFZBSCPLODMCD-UHFFFAOYSA-N 0 3 362.474 2.292 20 5 FEBDHN CN(C[C@H]1CCCN1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000421703086 559549787 /nfs/dbraw/zinc/54/97/87/559549787.db2.gz LLRZXSXYIJQALW-MRXNPFEDSA-N 0 3 360.458 2.364 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000421858149 559554862 /nfs/dbraw/zinc/55/48/62/559554862.db2.gz CSOHIUYDSKCDSG-UHFFFAOYSA-N 0 3 362.474 2.358 20 5 FEBDHN C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](N)c1ccccc1 ZINC000423821831 559640856 /nfs/dbraw/zinc/64/08/56/559640856.db2.gz FEEMBGWESLBWAT-GUYCJALGSA-N 0 3 357.414 2.291 20 5 FEBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836435 559641950 /nfs/dbraw/zinc/64/19/50/559641950.db2.gz FUKIFTVZPJAOJX-BBRMVZONSA-N 0 3 355.822 2.397 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423938582 559647096 /nfs/dbraw/zinc/64/70/96/559647096.db2.gz JKPYMUGVNSQNQX-QGZVFWFLSA-N 0 3 371.393 2.374 20 5 FEBDHN CC1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000427902437 559764934 /nfs/dbraw/zinc/76/49/34/559764934.db2.gz HGYQKZJAMVJYAQ-UHFFFAOYSA-N 0 3 372.425 2.370 20 5 FEBDHN Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])n(C2CCN(C)CC2)n1 ZINC000431598378 559842279 /nfs/dbraw/zinc/84/22/79/559842279.db2.gz WNYTVZPIVRMRFM-UHFFFAOYSA-N 0 3 372.429 2.417 20 5 FEBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000434791784 559909450 /nfs/dbraw/zinc/90/94/50/559909450.db2.gz BINYNLWPNAJTHJ-CVEARBPZSA-N 0 3 351.403 2.015 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000440508887 560012867 /nfs/dbraw/zinc/01/28/67/560012867.db2.gz UQZBGNCRRFLYFG-QGZVFWFLSA-N 0 3 361.423 2.023 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440522396 560013616 /nfs/dbraw/zinc/01/36/16/560013616.db2.gz ZFGRYBUDZVNPPI-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443626414 560088811 /nfs/dbraw/zinc/08/88/11/560088811.db2.gz PZIZAUGKKPMHPP-OCCSQVGLSA-N 0 3 350.419 2.085 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000445737938 560134504 /nfs/dbraw/zinc/13/45/04/560134504.db2.gz BOUMNERAXBIQNM-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448712261 560195894 /nfs/dbraw/zinc/19/58/94/560195894.db2.gz XXMCYFAZLYYTRT-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)c1ccccc1 ZINC000449098612 560215883 /nfs/dbraw/zinc/21/58/83/560215883.db2.gz KFWOQKDFYLZESX-AWEZNQCLSA-N 0 3 363.439 2.094 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414358 560305457 /nfs/dbraw/zinc/30/54/57/560305457.db2.gz IFHCCORKGVCBRO-CGTJXYLNSA-N 0 3 359.426 2.109 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452358051 560360094 /nfs/dbraw/zinc/36/00/94/560360094.db2.gz FSVCDOYLNSZMRH-AEFFLSMTSA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456695889 560529384 /nfs/dbraw/zinc/52/93/84/560529384.db2.gz PHBOTSPZGMMGGX-UHFFFAOYSA-N 0 3 365.478 2.459 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000457388147 560564623 /nfs/dbraw/zinc/56/46/23/560564623.db2.gz YMRSTTGKWUZPMT-UHFFFAOYSA-N 0 3 357.366 2.314 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457953664 560596194 /nfs/dbraw/zinc/59/61/94/560596194.db2.gz ZIZRFHPXKQVQBV-AWEZNQCLSA-N 0 3 350.419 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000459674106 560701343 /nfs/dbraw/zinc/70/13/43/560701343.db2.gz BOXMPZRRRKJDKK-BMIGLBTASA-N 0 3 352.774 2.293 20 5 FEBDHN C[C@@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000463737092 560822563 /nfs/dbraw/zinc/82/25/63/560822563.db2.gz DCCWXISGFMXXGG-MGPQQGTHSA-N 0 3 355.460 2.287 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467050085 560902288 /nfs/dbraw/zinc/90/22/88/560902288.db2.gz WQASMQDKQMHCKO-NWDGAFQWSA-N 0 3 359.473 2.070 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCN1S(C)(=O)=O ZINC000468617734 560934162 /nfs/dbraw/zinc/93/41/62/560934162.db2.gz JAYMTWOXAGAIIB-LRFDDAOPSA-N 0 3 353.444 2.012 20 5 FEBDHN CNC(=O)c1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636580 561031655 /nfs/dbraw/zinc/03/16/55/561031655.db2.gz GGIYJDMOWHOTNY-JKSUJKDBSA-N 0 3 357.414 2.424 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345188 561071648 /nfs/dbraw/zinc/07/16/48/561071648.db2.gz AFPBWEPQHMMSKE-JCURWCKSSA-N 0 3 364.398 2.050 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000476587335 561123523 /nfs/dbraw/zinc/12/35/23/561123523.db2.gz IJVAKIPDHGXSLG-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536856663 562581586 /nfs/dbraw/zinc/58/15/86/562581586.db2.gz GVYXVXQQNGCCKT-VIKVFOODSA-N 0 3 355.460 2.287 20 5 FEBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000546206968 562635036 /nfs/dbraw/zinc/63/50/36/562635036.db2.gz OHEJHOGMSITDMI-HNNXBMFYSA-N 0 3 357.414 2.363 20 5 FEBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000546206968 562635037 /nfs/dbraw/zinc/63/50/37/562635037.db2.gz OHEJHOGMSITDMI-HNNXBMFYSA-N 0 3 357.414 2.363 20 5 FEBDHN CS[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000541843663 567954633 /nfs/dbraw/zinc/95/46/33/567954633.db2.gz HXOLGFAFJGXLOW-CVEARBPZSA-N 0 3 364.471 2.045 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@H](CO)[C@@H]2CCOC2)cc1Br ZINC000602646498 568004178 /nfs/dbraw/zinc/00/41/78/568004178.db2.gz ZZBQFYPSRBHAKX-RKDXNWHRSA-N 0 3 365.249 2.153 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603143587 568067360 /nfs/dbraw/zinc/06/73/60/568067360.db2.gz HHHKGKGDOXTMMS-UKRRQHHQSA-N 0 3 372.347 2.224 20 5 FEBDHN Cc1cc(OCC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395285 568400508 /nfs/dbraw/zinc/40/05/08/568400508.db2.gz OKMDDMRGNYRCCM-QIIPPGSGSA-N 0 3 361.442 2.471 20 5 FEBDHN C[C@H]1C[C@H](CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570447000 568477356 /nfs/dbraw/zinc/47/73/56/568477356.db2.gz NWZJBOWWKNIHJF-UONOGXRCSA-N 0 3 356.444 2.163 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736239772 598498670 /nfs/dbraw/zinc/49/86/70/598498670.db2.gz XVJWBBUVLKPPFK-FRRDWIJNSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736239772 598498672 /nfs/dbraw/zinc/49/86/72/598498672.db2.gz XVJWBBUVLKPPFK-FRRDWIJNSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736239772 598498674 /nfs/dbraw/zinc/49/86/74/598498674.db2.gz XVJWBBUVLKPPFK-FRRDWIJNSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736239772 598498676 /nfs/dbraw/zinc/49/86/76/598498676.db2.gz XVJWBBUVLKPPFK-FRRDWIJNSA-N 0 3 372.433 2.012 20 5 FEBDHN C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000821600382 599431492 /nfs/dbraw/zinc/43/14/92/599431492.db2.gz KBPMKRHMZWLJFL-UHFFFAOYSA-N 0 3 368.401 2.104 20 5 FEBDHN C[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000821600382 599431494 /nfs/dbraw/zinc/43/14/94/599431494.db2.gz KBPMKRHMZWLJFL-UHFFFAOYSA-N 0 3 368.401 2.104 20 5 FEBDHN C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000821600382 599431497 /nfs/dbraw/zinc/43/14/97/599431497.db2.gz KBPMKRHMZWLJFL-UHFFFAOYSA-N 0 3 368.401 2.104 20 5 FEBDHN C[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000821600382 599431499 /nfs/dbraw/zinc/43/14/99/599431499.db2.gz KBPMKRHMZWLJFL-UHFFFAOYSA-N 0 3 368.401 2.104 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000809808242 674510874 /nfs/dbraw/zinc/51/08/74/674510874.db2.gz LKTTYAFNJLZWQN-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CC(C)[N@H+](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820111671 606123940 /nfs/dbraw/zinc/12/39/40/606123940.db2.gz GKBNDXDREGCLIJ-UHFFFAOYSA-N 0 3 356.390 2.075 20 5 FEBDHN CC(C)[N@@H+](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820111671 606123942 /nfs/dbraw/zinc/12/39/42/606123942.db2.gz GKBNDXDREGCLIJ-UHFFFAOYSA-N 0 3 356.390 2.075 20 5 FEBDHN CC(C)[N@H+](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820111671 606123944 /nfs/dbraw/zinc/12/39/44/606123944.db2.gz GKBNDXDREGCLIJ-UHFFFAOYSA-N 0 3 356.390 2.075 20 5 FEBDHN CC(C)[N@@H+](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820111671 606123946 /nfs/dbraw/zinc/12/39/46/606123946.db2.gz GKBNDXDREGCLIJ-UHFFFAOYSA-N 0 3 356.390 2.075 20 5 FEBDHN CC(COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)[N+](=O)[O-] ZINC000813102716 674719453 /nfs/dbraw/zinc/71/94/53/674719453.db2.gz JLANOPYOBARAJG-LLVKDONJSA-N 0 3 353.352 2.076 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[N+](=O)[O-] ZINC000813102613 674719509 /nfs/dbraw/zinc/71/95/09/674719509.db2.gz TTZVRRCNZFRZMR-ZDUSSCGKSA-N 0 3 363.391 2.483 20 5 FEBDHN CC(COC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[N+](=O)[O-] ZINC000813102003 674719644 /nfs/dbraw/zinc/71/96/44/674719644.db2.gz MOPPCIRKTNCIKE-VIFPVBQESA-N 0 3 369.424 2.137 20 5 FEBDHN CC(COC(=O)/C=C\c1ccc(I)o1)[N+](=O)[O-] ZINC000813099724 674719104 /nfs/dbraw/zinc/71/91/04/674719104.db2.gz BGDDRYAJYBYAGB-YSCPKTQFSA-N 0 3 351.096 2.106 20 5 FEBDHN COc1ccc(-c2nnc(SCC(=O)OCC(C)[N+](=O)[O-])o2)cc1 ZINC000813101599 674719134 /nfs/dbraw/zinc/71/91/34/674719134.db2.gz DXELNKDVDBDARO-SECBINFHSA-N 0 3 353.356 2.046 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[N+](=O)[O-] ZINC000813105993 674719843 /nfs/dbraw/zinc/71/98/43/674719843.db2.gz XEGSUALLLSCOSK-VXGBXAGGSA-N 0 3 353.350 2.278 20 5 FEBDHN CC(COC(=O)c1ccc(I)c(F)c1)[N+](=O)[O-] ZINC000813104728 674720177 /nfs/dbraw/zinc/72/01/77/674720177.db2.gz GJJGOEQSJGMMAJ-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000813108250 674720393 /nfs/dbraw/zinc/72/03/93/674720393.db2.gz WYMPZISQBAYCIY-AAEUAGOBSA-N 0 3 354.790 2.401 20 5 FEBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000813108953 674720401 /nfs/dbraw/zinc/72/04/01/674720401.db2.gz CPHPOOTZLHKDJK-UKRRQHHQSA-N 0 3 350.371 2.386 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000110085776 670846970 /nfs/dbraw/zinc/84/69/70/670846970.db2.gz SJBONDSULPTFEY-GFCCVEGCSA-N 0 3 356.810 2.481 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)C2CCCCC2)cc1 ZINC000571403573 670869264 /nfs/dbraw/zinc/86/92/64/670869264.db2.gz LLUKAGNCAPVVET-HNNXBMFYSA-N 0 3 370.471 2.147 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000577486053 671599261 /nfs/dbraw/zinc/59/92/61/671599261.db2.gz WRMBHQONBUDMBT-NSHDSACASA-N 0 3 355.441 2.218 20 5 FEBDHN COc1ccc(CN(CCNC(C)=O)C2CCSCC2)cc1[N+](=O)[O-] ZINC000577511519 671601382 /nfs/dbraw/zinc/60/13/82/671601382.db2.gz NWACDWGXNGGITG-UHFFFAOYSA-N 0 3 367.471 2.437 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139388777 672146415 /nfs/dbraw/zinc/14/64/15/672146415.db2.gz KRBKNDSDQFCDJO-CYBMUJFWSA-N 0 3 355.822 2.431 20 5 FEBDHN CCOc1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793053 672216459 /nfs/dbraw/zinc/21/64/59/672216459.db2.gz BHCRDXGLDSDELE-MSOLQXFVSA-N 0 3 350.415 2.403 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000591677800 672700520 /nfs/dbraw/zinc/70/05/20/672700520.db2.gz DQRBGTMOBQZSBK-UHFFFAOYSA-N 0 3 353.444 2.047 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193909509 672740590 /nfs/dbraw/zinc/74/05/90/672740590.db2.gz NVIKMTIGWZDTPE-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603664 673131465 /nfs/dbraw/zinc/13/14/65/673131465.db2.gz YQYDHUHDBDPDHL-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603664 673131467 /nfs/dbraw/zinc/13/14/67/673131467.db2.gz YQYDHUHDBDPDHL-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959821 673181174 /nfs/dbraw/zinc/18/11/74/673181174.db2.gz GVASJHXAWWLPCP-VXMWWYGOSA-N 0 3 356.444 2.391 20 5 FEBDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595092285 673192402 /nfs/dbraw/zinc/19/24/02/673192402.db2.gz XBPWGQFUFMOEQS-SNVBAGLBSA-N 0 3 368.821 2.176 20 5 FEBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595121299 673197538 /nfs/dbraw/zinc/19/75/38/673197538.db2.gz NSWDRZYZQHGMRQ-SNVBAGLBSA-N 0 3 369.365 2.265 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462576547 673264802 /nfs/dbraw/zinc/26/48/02/673264802.db2.gz UNJIADJTUQIKKR-OAHLLOKOSA-N 0 3 367.471 2.446 20 5 FEBDHN CO[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000596065307 673355154 /nfs/dbraw/zinc/35/51/54/673355154.db2.gz QDSLWJZAEDISHZ-MRXNPFEDSA-N 0 3 356.444 2.163 20 5 FEBDHN COc1cc(CN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000596105227 673359298 /nfs/dbraw/zinc/35/92/98/673359298.db2.gz HOBZUWVKUQLEFF-GHMZBOCLSA-N 0 3 363.336 2.118 20 5 FEBDHN COc1cc(CNC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000538420665 673439461 /nfs/dbraw/zinc/43/94/61/673439461.db2.gz RNCRWVZJCWGHRV-LBPRGKRZSA-N 0 3 350.371 2.146 20 5 FEBDHN CS[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000597101429 673448069 /nfs/dbraw/zinc/44/80/69/673448069.db2.gz QMPRYGIXMWTKMY-RYUDHWBXSA-N 0 3 373.866 2.340 20 5 FEBDHN CS[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000597101426 673448145 /nfs/dbraw/zinc/44/81/45/673448145.db2.gz QMPRYGIXMWTKMY-NWDGAFQWSA-N 0 3 373.866 2.340 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599622583 673698424 /nfs/dbraw/zinc/69/84/24/673698424.db2.gz LQFWZXBYTLXEMJ-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN Cc1c(NC(=O)CCN2CCN(CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599667703 673704156 /nfs/dbraw/zinc/70/41/56/673704156.db2.gz IPJNWSOZMRCUCI-UHFFFAOYSA-N 0 3 352.410 2.209 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601310503 673841360 /nfs/dbraw/zinc/84/13/60/673841360.db2.gz QDEGHWSLCVLRSN-UHFFFAOYSA-N 0 3 359.473 2.117 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601446135 673863958 /nfs/dbraw/zinc/86/39/58/673863958.db2.gz SZQCKRPRMNMDEF-UHFFFAOYSA-N 0 3 359.423 2.193 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000602805473 673911398 /nfs/dbraw/zinc/91/13/98/673911398.db2.gz KERUERVVJBRHIR-CYBMUJFWSA-N 0 3 358.320 2.442 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602853440 673912197 /nfs/dbraw/zinc/91/21/97/673912197.db2.gz YKXJRZDHJCFVEM-OCCSQVGLSA-N 0 3 352.435 2.399 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000567782853 675322136 /nfs/dbraw/zinc/32/21/36/675322136.db2.gz DPFLUDBGSXRFSK-GOEBONIOSA-N 0 3 367.471 2.262 20 5 FEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959026 675855224 /nfs/dbraw/zinc/85/52/24/675855224.db2.gz KMGXDTXEXGQIGQ-MNOVXSKESA-N 0 3 356.785 2.278 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619479310 676379590 /nfs/dbraw/zinc/37/95/90/676379590.db2.gz QYIMPRHIXOYKMW-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082404 680771692 /nfs/dbraw/zinc/77/16/92/680771692.db2.gz FVBGAQAQQUTNGC-UWVGGRQHSA-N 0 3 357.794 2.364 20 5 FEBDHN CN(Cc1csc(C2CC2)n1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432301 680447521 /nfs/dbraw/zinc/44/75/21/680447521.db2.gz ZBNVIPPFZJXHNP-HUUCEWRRSA-N 0 3 364.471 2.109 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000772156659 681088106 /nfs/dbraw/zinc/08/81/06/681088106.db2.gz SDYDITLJCUWUES-QWHCGFSZSA-N 0 3 353.806 2.150 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773101246 681125629 /nfs/dbraw/zinc/12/56/29/681125629.db2.gz OCONEHOTPSLDFH-UHFFFAOYSA-N 0 3 368.865 2.394 20 5 FEBDHN CCC(=O)N1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845873902 681158356 /nfs/dbraw/zinc/15/83/56/681158356.db2.gz FGWNUKZNMSRGEA-BFQNTYOBSA-N 0 3 352.362 2.334 20 5 FEBDHN COCCn1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845879280 681158745 /nfs/dbraw/zinc/15/87/45/681158745.db2.gz IHIWVVNCFXHTIP-NHYWBVRUSA-N 0 3 351.334 2.232 20 5 FEBDHN CC([C@H](OC(=O)c1coc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880704 681159076 /nfs/dbraw/zinc/15/90/76/681159076.db2.gz JERXQDPBZQVFFB-XPTSAGLGSA-N 0 3 371.342 2.386 20 5 FEBDHN C[C@@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCCC1 ZINC000847960263 681456143 /nfs/dbraw/zinc/45/61/43/681456143.db2.gz ZWBIEQKYOMDYNJ-LBPRGKRZSA-N 0 3 350.371 2.397 20 5 FEBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654542 681736603 /nfs/dbraw/zinc/73/66/03/681736603.db2.gz OVGZCXNQHILMEI-AWEZNQCLSA-N 0 3 356.810 2.356 20 5 FEBDHN COc1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000788683996 682550480 /nfs/dbraw/zinc/55/04/80/682550480.db2.gz WICIYSWTGZDILU-UHFFFAOYSA-N 0 3 366.395 2.433 20 5 FEBDHN CC([C@@H](OC(=O)c1noc2c1COCC2)c1ccccc1F)[N+](=O)[O-] ZINC000857853562 682919786 /nfs/dbraw/zinc/91/97/86/682919786.db2.gz DKUYJFDERIFZGB-RFAUZJTJSA-N 0 3 350.302 2.450 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000929832715 683644326 /nfs/dbraw/zinc/64/43/26/683644326.db2.gz DZBSSPGTYLUKGR-CABZTGNLSA-N 0 3 356.329 2.364 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931990587 684383883 /nfs/dbraw/zinc/38/38/83/684383883.db2.gz RNOQTBAONSBBBA-ZDUSSCGKSA-N 0 3 353.444 2.157 20 5 FEBDHN CCS(=O)(=O)N1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022088 684915997 /nfs/dbraw/zinc/91/59/97/684915997.db2.gz SXUJPZMLIUPRCF-NSHDSACASA-N 0 3 359.423 2.199 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(OCCO)CCOC1 ZINC000872085889 684918476 /nfs/dbraw/zinc/91/84/76/684918476.db2.gz RSUYUULCOBNHKB-BLLLJJGKSA-N 0 3 356.444 2.135 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c1 ZINC000882768445 687479968 /nfs/dbraw/zinc/47/99/68/687479968.db2.gz FAFGGEPZOHMUPE-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000882811613 687499827 /nfs/dbraw/zinc/49/98/27/687499827.db2.gz AYTPNCOMXFNSNH-UHFFFAOYSA-N 0 3 350.394 2.044 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885895601 688180919 /nfs/dbraw/zinc/18/09/19/688180919.db2.gz IESGXUKQCJRQTK-AWEZNQCLSA-N 0 3 365.455 2.300 20 5 FEBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCCN(CCO)CC1 ZINC000892338493 689182850 /nfs/dbraw/zinc/18/28/50/689182850.db2.gz ZBUBCJBGIVRDLF-UHFFFAOYSA-N 0 3 350.806 2.301 20 5 FEBDHN CCCNC(=O)CN1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892564518 689212639 /nfs/dbraw/zinc/21/26/39/689212639.db2.gz UUDVEWOHHRNCSJ-UHFFFAOYSA-N 0 3 368.865 2.328 20 5 FEBDHN CC1(C)CO[C@@H](CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905480104 691124177 /nfs/dbraw/zinc/12/41/77/691124177.db2.gz VZDIPRUSTCZEOX-AWEZNQCLSA-N 0 3 356.444 2.163 20 5 FEBDHN Nc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906329 721540164 /nfs/dbraw/zinc/54/01/64/721540164.db2.gz JVLKKUYLCDOHHS-DZGCQCFKSA-N 0 3 373.388 2.053 20 5 FEBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907537 721551978 /nfs/dbraw/zinc/55/19/78/721551978.db2.gz OCUDDDXAOTZDLZ-GOEBONIOSA-N 0 3 373.388 2.053 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000026852809 539794588 /nfs/dbraw/zinc/79/45/88/539794588.db2.gz FCNZXZPLIWREBM-MRXNPFEDSA-N 0 3 355.394 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000041651450 540029750 /nfs/dbraw/zinc/02/97/50/540029750.db2.gz RVGUJJVWMJRMLO-GXTWGEPZSA-N 0 3 362.430 2.078 20 5 FEBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000046388163 540255338 /nfs/dbraw/zinc/25/53/38/540255338.db2.gz KWHVYWSJOKVKNJ-INIZCTEOSA-N 0 3 372.425 2.296 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000055281236 540643030 /nfs/dbraw/zinc/64/30/30/540643030.db2.gz CJZQFTZWUBTVMC-ZDUSSCGKSA-N 0 3 371.459 2.004 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055298065 540645013 /nfs/dbraw/zinc/64/50/13/540645013.db2.gz BFYVHEUSASQPQM-UHFFFAOYSA-N 0 3 359.423 2.229 20 5 FEBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056330270 540719125 /nfs/dbraw/zinc/71/91/25/540719125.db2.gz BCYQEAVPBQSLIX-UHFFFAOYSA-N 0 3 371.441 2.255 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1 ZINC000061635865 541135638 /nfs/dbraw/zinc/13/56/38/541135638.db2.gz SIJLIZXNYQYYBF-UHFFFAOYSA-N 0 3 372.429 2.205 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000065774110 541260898 /nfs/dbraw/zinc/26/08/98/541260898.db2.gz QMOSSICTTWKJOK-KRWDZBQOSA-N 0 3 359.430 2.381 20 5 FEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000066725935 541366109 /nfs/dbraw/zinc/36/61/09/541366109.db2.gz KJWLYQPMCUIOMN-UHFFFAOYSA-N 0 3 359.430 2.210 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067206554 541432893 /nfs/dbraw/zinc/43/28/93/541432893.db2.gz ALGIFJVPLJFLJF-OAHLLOKOSA-N 0 3 357.414 2.009 20 5 FEBDHN CCN1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000067382995 541452433 /nfs/dbraw/zinc/45/24/33/541452433.db2.gz NNNJSCHOTOQDLZ-UHFFFAOYSA-N 0 3 357.414 2.456 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000068753398 541625021 /nfs/dbraw/zinc/62/50/21/541625021.db2.gz UPKOLDJQYRYMJR-QGZVFWFLSA-N 0 3 373.409 2.401 20 5 FEBDHN Cn1cc(C(=O)NC2CCN(C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053213401 205189768 /nfs/dbraw/zinc/18/97/68/205189768.db2.gz XRMKSKQMFLLFIZ-UHFFFAOYSA-N 0 3 369.425 2.352 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000074136759 542041954 /nfs/dbraw/zinc/04/19/54/542041954.db2.gz MFFUNAPEHNVNOA-QGZVFWFLSA-N 0 3 359.430 2.487 20 5 FEBDHN COc1ccccc1C[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075711447 542199352 /nfs/dbraw/zinc/19/93/52/542199352.db2.gz JEMHPXZOVVLOSW-QAPCUYQASA-N 0 3 374.441 2.116 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078427972 542461505 /nfs/dbraw/zinc/46/15/05/542461505.db2.gz QYPOXTKLZRPNCD-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN Cc1nn(CCC(=O)N(CCN(C)C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000102246059 543063561 /nfs/dbraw/zinc/06/35/61/543063561.db2.gz XFCFUOTYYPBOAY-UHFFFAOYSA-N 0 3 359.430 2.393 20 5 FEBDHN COCC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112354122 543443505 /nfs/dbraw/zinc/44/35/05/543443505.db2.gz WNVQELVPLYEXIQ-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000116372435 543607745 /nfs/dbraw/zinc/60/77/45/543607745.db2.gz YJEZFHHSSRSPNN-AWEZNQCLSA-N 0 3 361.439 2.379 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000120056303 543674729 /nfs/dbraw/zinc/67/47/29/543674729.db2.gz WXNVASKAKQMTPS-UHFFFAOYSA-N 0 3 363.462 2.361 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000123788083 543782278 /nfs/dbraw/zinc/78/22/78/543782278.db2.gz GZXLSNJULRQZDG-BBRMVZONSA-N 0 3 357.414 2.335 20 5 FEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000123845580 543786811 /nfs/dbraw/zinc/78/68/11/543786811.db2.gz LGILFBLXOZIYES-UHFFFAOYSA-N 0 3 351.447 2.264 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCCn1ccnc1 ZINC000124315671 543813572 /nfs/dbraw/zinc/81/35/72/543813572.db2.gz OMTZUVWARIJSHX-CYBMUJFWSA-N 0 3 361.402 2.149 20 5 FEBDHN [NH3+][C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024662 543856894 /nfs/dbraw/zinc/85/68/94/543856894.db2.gz JOCKNMWYSHTQFQ-RKDXNWHRSA-N 0 3 367.349 2.162 20 5 FEBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125805232 543902873 /nfs/dbraw/zinc/90/28/73/543902873.db2.gz QHNCABMCYPDKKJ-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN COc1cc(CNC[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131400943 544188852 /nfs/dbraw/zinc/18/88/52/544188852.db2.gz RERBFJHNCDTSBI-SECBINFHSA-N 0 3 352.309 2.263 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](COC)Cc1ccccc1 ZINC000132372785 544228902 /nfs/dbraw/zinc/22/89/02/544228902.db2.gz MKJIONUJSQIGPI-GOSISDBHSA-N 0 3 359.426 2.336 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000134914019 544326984 /nfs/dbraw/zinc/32/69/84/544326984.db2.gz GZQVPKQFSQVAIT-GDBMZVCRSA-N 0 3 371.441 2.306 20 5 FEBDHN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452664 544347514 /nfs/dbraw/zinc/34/75/14/544347514.db2.gz GOCCZKMUQRWVGK-HOTGVXAUSA-N 0 3 358.398 2.070 20 5 FEBDHN CN1CCN([C@H]2CCCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000150983076 544493036 /nfs/dbraw/zinc/49/30/36/544493036.db2.gz FZBKNESXUGMVPB-IBGZPJMESA-N 0 3 374.485 2.156 20 5 FEBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCN(C)C1 ZINC000153443996 544776475 /nfs/dbraw/zinc/77/64/75/544776475.db2.gz QQFRPTLHLLRWMR-INIZCTEOSA-N 0 3 360.458 2.364 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188229185 328074479 /nfs/dbraw/zinc/07/44/79/328074479.db2.gz OJVJNYMPFVQLQH-UONOGXRCSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000188261759 328076426 /nfs/dbraw/zinc/07/64/26/328076426.db2.gz OKRJFQDVVAMGIX-UHFFFAOYSA-N 0 3 359.423 2.230 20 5 FEBDHN COC(=O)c1ccc(OCCCN2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000188265997 328076827 /nfs/dbraw/zinc/07/68/27/328076827.db2.gz WDSXLUUPDDQDGB-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN COCCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000188823662 328112847 /nfs/dbraw/zinc/11/28/47/328112847.db2.gz QKBHXWTYDKBPFO-KRWDZBQOSA-N 0 3 360.414 2.233 20 5 FEBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189410959 328146302 /nfs/dbraw/zinc/14/63/02/328146302.db2.gz HXICWQQPHWPLJG-HNNXBMFYSA-N 0 3 351.447 2.141 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000189867474 328172351 /nfs/dbraw/zinc/17/23/51/328172351.db2.gz BMWPHSQQMHWLHI-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000190022862 328182919 /nfs/dbraw/zinc/18/29/19/328182919.db2.gz FPVNIZIAMSVSEV-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000191257316 328256969 /nfs/dbraw/zinc/25/69/69/328256969.db2.gz ASYRGLOQASMEGZ-DYVFJYSZSA-N 0 3 370.409 2.341 20 5 FEBDHN CC(C)C[C@]1(CO)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191639413 328275187 /nfs/dbraw/zinc/27/51/87/328275187.db2.gz JTZPXSCDFIPYLA-IBGZPJMESA-N 0 3 361.442 2.357 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000192758084 328337871 /nfs/dbraw/zinc/33/78/71/328337871.db2.gz VFTUPZUOAIJLNU-MRXNPFEDSA-N 0 3 359.430 2.298 20 5 FEBDHN N[C@@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237878496 328532616 /nfs/dbraw/zinc/53/26/16/328532616.db2.gz NTDJPBTXPLKKQM-ZBFHGGJFSA-N 0 3 355.398 2.093 20 5 FEBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000090526635 325362136 /nfs/dbraw/zinc/36/21/36/325362136.db2.gz LSRIERXWFMEVNG-UHFFFAOYSA-N 0 3 370.453 2.353 20 5 FEBDHN Cc1cccc(C)c1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000091058271 325371952 /nfs/dbraw/zinc/37/19/52/325371952.db2.gz DLSZHWXKRNBJCU-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN Cc1nn(C)c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000109275622 325663453 /nfs/dbraw/zinc/66/34/53/325663453.db2.gz BKXQDJKGNVTTSK-LBPRGKRZSA-N 0 3 359.430 2.496 20 5 FEBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(C)CC1 ZINC000109987490 325681490 /nfs/dbraw/zinc/68/14/90/325681490.db2.gz OLEILMHNTIQBDU-CYBMUJFWSA-N 0 3 372.425 2.287 20 5 FEBDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000118099133 326081563 /nfs/dbraw/zinc/08/15/63/326081563.db2.gz ROZAWFVMOVCILO-INIZCTEOSA-N 0 3 364.446 2.324 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000119060700 326123412 /nfs/dbraw/zinc/12/34/12/326123412.db2.gz ZZYUIGZLZPDLSI-AWEZNQCLSA-N 0 3 370.475 2.165 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000119828952 326202723 /nfs/dbraw/zinc/20/27/23/326202723.db2.gz WAPVYQCESJFZOP-PBHICJAKSA-N 0 3 371.441 2.163 20 5 FEBDHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119841623 326204203 /nfs/dbraw/zinc/20/42/03/326204203.db2.gz QIMKUMPJAKWJGH-SFHVURJKSA-N 0 3 359.426 2.123 20 5 FEBDHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000120204700 326240620 /nfs/dbraw/zinc/24/06/20/326240620.db2.gz KJGUWNAWVLWKIH-AWEZNQCLSA-N 0 3 355.460 2.241 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000154068102 326750411 /nfs/dbraw/zinc/75/04/11/326750411.db2.gz JOBCEPOKNGTACZ-UHFFFAOYSA-N 0 3 367.471 2.500 20 5 FEBDHN C[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000163436673 327051572 /nfs/dbraw/zinc/05/15/72/327051572.db2.gz FTCNWZZEQXTNPV-IBGZPJMESA-N 0 3 371.441 2.352 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172667453 327214005 /nfs/dbraw/zinc/21/40/05/327214005.db2.gz IPSPZBXDHKCVMY-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN COc1cccc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173594479 327269782 /nfs/dbraw/zinc/26/97/82/327269782.db2.gz MOSKDQVMRKOPIB-QGZVFWFLSA-N 0 3 360.414 2.040 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173669252 327275251 /nfs/dbraw/zinc/27/52/51/327275251.db2.gz DQRFIPBBYSHHSH-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715900 327345291 /nfs/dbraw/zinc/34/52/91/327345291.db2.gz AKAZAJLJBZTWKO-CYBMUJFWSA-N 0 3 358.320 2.303 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175149307 327376987 /nfs/dbraw/zinc/37/69/87/327376987.db2.gz SYNGDZYEKMEROM-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000253159111 328796213 /nfs/dbraw/zinc/79/62/13/328796213.db2.gz QYCMHZNKDAJQPT-UFGOTCBOSA-N 0 3 368.821 2.209 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262836617 328893513 /nfs/dbraw/zinc/89/35/13/328893513.db2.gz WJAONUFFWURRSW-NEPJUHHUSA-N 0 3 353.444 2.045 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265922103 329173121 /nfs/dbraw/zinc/17/31/21/329173121.db2.gz CGVOWKZEDYSLBV-CYBMUJFWSA-N 0 3 351.403 2.216 20 5 FEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980822 329178933 /nfs/dbraw/zinc/17/89/33/329178933.db2.gz YXSQRJHKRGRKHO-OLZOCXBDSA-N 0 3 365.430 2.462 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266207031 329200591 /nfs/dbraw/zinc/20/05/91/329200591.db2.gz PMTFKOATKGDHED-YPMHNXCESA-N 0 3 359.423 2.085 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000266348198 329213652 /nfs/dbraw/zinc/21/36/52/329213652.db2.gz JBSFPERJLMKFSM-AWEZNQCLSA-N 0 3 370.400 2.412 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1=O ZINC000270223090 329583277 /nfs/dbraw/zinc/58/32/77/329583277.db2.gz MYQRFQKEWANQEM-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN COc1cc(N2CCC(CN3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270563788 329610607 /nfs/dbraw/zinc/61/06/07/329610607.db2.gz LXXJLSXLUHUXSE-UHFFFAOYSA-N 0 3 353.394 2.291 20 5 FEBDHN CS[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1N(C)C ZINC000270671316 329620837 /nfs/dbraw/zinc/62/08/37/329620837.db2.gz RMWOIASFIHTCEY-ZIAGYGMSSA-N 0 3 363.443 2.122 20 5 FEBDHN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000272421089 329779807 /nfs/dbraw/zinc/77/98/07/329779807.db2.gz DXOJORYBBFLDTB-UHFFFAOYSA-N 0 3 357.414 2.065 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862891 329818945 /nfs/dbraw/zinc/81/89/45/329818945.db2.gz SEWVSVBIEFOTJJ-UGSOOPFHSA-N 0 3 374.441 2.277 20 5 FEBDHN COc1ccc(OCCN[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000272970230 329827140 /nfs/dbraw/zinc/82/71/40/329827140.db2.gz CAYNZLSQBPLOBJ-HNNXBMFYSA-N 0 3 350.346 2.445 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](N2CCCC2)CC1 ZINC000276344737 330143108 /nfs/dbraw/zinc/14/31/08/330143108.db2.gz SVDBOHSSPUIQEM-CQSZACIVSA-N 0 3 367.471 2.453 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000299697074 330199261 /nfs/dbraw/zinc/19/92/61/330199261.db2.gz OLVLWHILIAXMON-KBPBESRZSA-N 0 3 362.430 2.091 20 5 FEBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000158623325 545878762 /nfs/dbraw/zinc/87/87/62/545878762.db2.gz HVZJAPLXKVPOOF-LBPRGKRZSA-N 0 3 371.434 2.371 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000478491383 561168283 /nfs/dbraw/zinc/16/82/83/561168283.db2.gz RTPDZXIVLWSDND-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000480011428 561201302 /nfs/dbraw/zinc/20/13/02/561201302.db2.gz GQHCRLYCEHXFHE-SFHVURJKSA-N 0 3 359.430 2.169 20 5 FEBDHN CSc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000480288107 561206447 /nfs/dbraw/zinc/20/64/47/561206447.db2.gz HHXIRGBEUABJOJ-HNNXBMFYSA-N 0 3 355.485 2.484 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178307653 546773157 /nfs/dbraw/zinc/77/31/57/546773157.db2.gz GJSCUXJNEYMIQI-CVEARBPZSA-N 0 3 369.425 2.337 20 5 FEBDHN C[C@@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979191 546882834 /nfs/dbraw/zinc/88/28/34/546882834.db2.gz VVTPSQYFNIDWQL-QMTHXVAHSA-N 0 3 361.851 2.434 20 5 FEBDHN CS(=O)(=O)NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180035100 547042132 /nfs/dbraw/zinc/04/21/32/547042132.db2.gz QSQGATLKNFBNMP-KRWDZBQOSA-N 0 3 363.439 2.213 20 5 FEBDHN COc1cnccc1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000483207419 561270433 /nfs/dbraw/zinc/27/04/33/561270433.db2.gz ZQSXLDRNZFKYMR-UHFFFAOYSA-N 0 3 369.381 2.462 20 5 FEBDHN CN(CCOc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190409 547450452 /nfs/dbraw/zinc/45/04/52/547450452.db2.gz XVVVFVFXWAOSJC-HNNXBMFYSA-N 0 3 364.373 2.484 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CCc3ccccc3)C2)nc1 ZINC000182524623 547508230 /nfs/dbraw/zinc/50/82/30/547508230.db2.gz LNWSSGLSTMUDCD-WMZOPIPTSA-N 0 3 356.426 2.470 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000182960664 547579630 /nfs/dbraw/zinc/57/96/30/547579630.db2.gz MSAUMQCBPQJKBF-AAEUAGOBSA-N 0 3 359.423 2.003 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000183114495 547603898 /nfs/dbraw/zinc/60/38/98/547603898.db2.gz ZQQJLZRADNALAQ-UHFFFAOYSA-N 0 3 366.374 2.082 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000183404513 547651883 /nfs/dbraw/zinc/65/18/83/547651883.db2.gz MCPLBCWZHZAJDS-OAHLLOKOSA-N 0 3 361.423 2.153 20 5 FEBDHN CN(C)Cc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184134818 547775400 /nfs/dbraw/zinc/77/54/00/547775400.db2.gz XOPBOPPIULCCHA-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN CN(C)[C@@H](CNC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184567627 547847263 /nfs/dbraw/zinc/84/72/63/547847263.db2.gz HVOJZKAGMKFTOM-IBGZPJMESA-N 0 3 370.453 2.446 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186250195 548106666 /nfs/dbraw/zinc/10/66/66/548106666.db2.gz ITNQMWBNDVSFPK-AWEZNQCLSA-N 0 3 372.429 2.170 20 5 FEBDHN COC(=O)c1cc(NC(=O)NCCN2CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486873959 561358762 /nfs/dbraw/zinc/35/87/62/561358762.db2.gz VNHBSCWLLFGEDM-UHFFFAOYSA-N 0 3 364.402 2.297 20 5 FEBDHN O=C(C1CCN(C2CC2)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000195356115 548630328 /nfs/dbraw/zinc/63/03/28/548630328.db2.gz NXDKMAWZPIWSRD-UHFFFAOYSA-N 0 3 358.442 2.118 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cccc2cc[nH]c21 ZINC000237942699 548867161 /nfs/dbraw/zinc/86/71/61/548867161.db2.gz TYCRJEKBPLDQRO-UHFFFAOYSA-N 0 3 374.422 2.144 20 5 FEBDHN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000245439954 548919831 /nfs/dbraw/zinc/91/98/31/548919831.db2.gz UBCJNIZAXKFXQY-QGZVFWFLSA-N 0 3 363.458 2.285 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245789684 548994275 /nfs/dbraw/zinc/99/42/75/548994275.db2.gz NNJIRRLODZIWLL-HZPDHXFCSA-N 0 3 369.425 2.445 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245789684 548994277 /nfs/dbraw/zinc/99/42/77/548994277.db2.gz NNJIRRLODZIWLL-HZPDHXFCSA-N 0 3 369.425 2.445 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246054303 549042188 /nfs/dbraw/zinc/04/21/88/549042188.db2.gz XQGUWSZBQZVXJT-SMDDNHRTSA-N 0 3 363.443 2.203 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000246155853 549064804 /nfs/dbraw/zinc/06/48/04/549064804.db2.gz LGKKFYTUJMGATM-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246177966 549070241 /nfs/dbraw/zinc/07/02/41/549070241.db2.gz GVIAUUMTGUSRAI-IUODEOHRSA-N 0 3 350.419 2.085 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488904767 561399202 /nfs/dbraw/zinc/39/92/02/561399202.db2.gz ZNDDSYWDJXNWHH-UHFFFAOYSA-N 0 3 361.446 2.443 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000247076131 549278441 /nfs/dbraw/zinc/27/84/41/549278441.db2.gz YVARICPIZZZAMI-CABCVRRESA-N 0 3 361.398 2.080 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000247210789 549300133 /nfs/dbraw/zinc/30/01/33/549300133.db2.gz WYANPQNHHCETDT-DGCLKSJQSA-N 0 3 373.862 2.353 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000249116755 549554792 /nfs/dbraw/zinc/55/47/92/549554792.db2.gz WKRFAIOCPIGHAX-MDZRGWNJSA-N 0 3 358.394 2.454 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249431393 549591559 /nfs/dbraw/zinc/59/15/59/549591559.db2.gz ITIWKHBXDDKQGP-KGLIPLIRSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000253358744 549683746 /nfs/dbraw/zinc/68/37/46/549683746.db2.gz RTLDUQBARJXQEQ-TZMCWYRMSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253544399 549692741 /nfs/dbraw/zinc/69/27/41/549692741.db2.gz RCXMFGWHDWOUFU-BDJLRTHQSA-N 0 3 358.398 2.261 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147484 550160631 /nfs/dbraw/zinc/16/06/31/550160631.db2.gz QBLHMMYQYJMXBQ-AAEUAGOBSA-N 0 3 373.862 2.353 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000269523023 550203646 /nfs/dbraw/zinc/20/36/46/550203646.db2.gz QQIBACANISTMQA-UHFFFAOYSA-N 0 3 371.441 2.270 20 5 FEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1N(C)C ZINC000270340345 550263610 /nfs/dbraw/zinc/26/36/10/550263610.db2.gz DTYSLTAQGJHJCW-QWRGUYRKSA-N 0 3 361.265 2.234 20 5 FEBDHN COC(=O)c1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000270986165 550328917 /nfs/dbraw/zinc/32/89/17/550328917.db2.gz JZZPNYKDJTVFAA-GFCCVEGCSA-N 0 3 363.414 2.184 20 5 FEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000272177245 550427545 /nfs/dbraw/zinc/42/75/45/550427545.db2.gz JNODGUPJOCATIK-KDOFPFPSSA-N 0 3 358.442 2.361 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497585 550452997 /nfs/dbraw/zinc/45/29/97/550452997.db2.gz GHPSLKJQRPMXPD-FSPWUOQZSA-N 0 3 355.442 2.490 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000272550203 550457399 /nfs/dbraw/zinc/45/73/99/550457399.db2.gz CYJCTYSUUQNRHX-HNAYVOBHSA-N 0 3 372.469 2.364 20 5 FEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000272646644 550462960 /nfs/dbraw/zinc/46/29/60/550462960.db2.gz YKEOPZOODRWTEJ-JGVFFNPUSA-N 0 3 360.183 2.319 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272698255 550465641 /nfs/dbraw/zinc/46/56/41/550465641.db2.gz YEYNZGRDEPRWBH-KBXCAEBGSA-N 0 3 358.442 2.361 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000272735892 550467940 /nfs/dbraw/zinc/46/79/40/550467940.db2.gz CGDXAIKQEHMPIC-GFCCVEGCSA-N 0 3 361.398 2.152 20 5 FEBDHN CCc1nn(C)c(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273266039 550492105 /nfs/dbraw/zinc/49/21/05/550492105.db2.gz WIICZLKPJZEKQV-OAHLLOKOSA-N 0 3 359.430 2.069 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273492076 550500427 /nfs/dbraw/zinc/50/04/27/550500427.db2.gz SQWMNRWQSPRFPS-ZDUSSCGKSA-N 0 3 364.446 2.475 20 5 FEBDHN Cc1ccsc1[C@@H](CO)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669567 561473803 /nfs/dbraw/zinc/47/38/03/561473803.db2.gz CDPHSUGUCPTMQI-CHWSQXEVSA-N 0 3 352.412 2.028 20 5 FEBDHN CC(C)[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068667 550628163 /nfs/dbraw/zinc/62/81/63/550628163.db2.gz DRRCMGKHVPJQFA-SWLSCSKDSA-N 0 3 358.485 2.488 20 5 FEBDHN CCN1CCCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277286839 550651992 /nfs/dbraw/zinc/65/19/92/550651992.db2.gz SOXWVDFZWHIVKB-UHFFFAOYSA-N 0 3 364.402 2.249 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OC ZINC000278371731 550778663 /nfs/dbraw/zinc/77/86/63/550778663.db2.gz BYUOGDKHAYXQHG-UXIGCNINSA-N 0 3 351.403 2.478 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279265034 550871514 /nfs/dbraw/zinc/87/15/14/550871514.db2.gz YAFUWCPUQDEHLV-CYBMUJFWSA-N 0 3 372.425 2.401 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000496261026 561493239 /nfs/dbraw/zinc/49/32/39/561493239.db2.gz HBIMUZITMNQOFK-OAHLLOKOSA-N 0 3 357.414 2.445 20 5 FEBDHN O=C(CCN1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295479 551343346 /nfs/dbraw/zinc/34/33/46/551343346.db2.gz MZKUTHMEIBOVKS-GJZGRUSLSA-N 0 3 351.428 2.130 20 5 FEBDHN N[C@@H](CC(F)F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498204384 561518344 /nfs/dbraw/zinc/51/83/44/561518344.db2.gz HRHBHWHWYFUZMK-QMMMGPOBSA-N 0 3 370.278 2.124 20 5 FEBDHN CCOC1CC2(C1)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285560396 551774690 /nfs/dbraw/zinc/77/46/90/551774690.db2.gz SMZIIYJGWGCNSH-FAEJEUNOSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000498887414 561536880 /nfs/dbraw/zinc/53/68/80/561536880.db2.gz GPDRKWMHBWYLSX-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394417 551998326 /nfs/dbraw/zinc/99/83/26/551998326.db2.gz YLPAMGUJVUOIHT-KBXCAEBGSA-N 0 3 369.425 2.479 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000290407435 552474647 /nfs/dbraw/zinc/47/46/47/552474647.db2.gz GAMQYQICKDZHDW-GUYCJALGSA-N 0 3 374.441 2.181 20 5 FEBDHN O=C(Nc1ccc2c(c1)CNCCO2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000291004392 552575003 /nfs/dbraw/zinc/57/50/03/552575003.db2.gz CDKWKOFJFXLKKI-UHFFFAOYSA-N 0 3 371.349 2.100 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291666460 552648923 /nfs/dbraw/zinc/64/89/23/552648923.db2.gz GBOOMNSKFSMZIF-ZDUSSCGKSA-N 0 3 359.386 2.076 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000294079255 552880224 /nfs/dbraw/zinc/88/02/24/552880224.db2.gz JPADXBOSGAYABY-LJQANCHMSA-N 0 3 370.409 2.407 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])cc1OC ZINC000294327091 552897562 /nfs/dbraw/zinc/89/75/62/552897562.db2.gz XGXFZIXHPFKLIX-SFHVURJKSA-N 0 3 363.414 2.170 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000295988336 553085660 /nfs/dbraw/zinc/08/56/60/553085660.db2.gz KMVJQYUEPKDAKA-WMZOPIPTSA-N 0 3 362.426 2.226 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000296352704 553146251 /nfs/dbraw/zinc/14/62/51/553146251.db2.gz RUASWKRQNMFUNN-UHFFFAOYSA-N 0 3 368.865 2.312 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000296888889 553225817 /nfs/dbraw/zinc/22/58/17/553225817.db2.gz VHQJJPVVEBCURF-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000296955673 553234692 /nfs/dbraw/zinc/23/46/92/553234692.db2.gz CIMHFBPDRVHQGT-VIFPVBQESA-N 0 3 359.415 2.218 20 5 FEBDHN Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000296955673 553234695 /nfs/dbraw/zinc/23/46/95/553234695.db2.gz CIMHFBPDRVHQGT-VIFPVBQESA-N 0 3 359.415 2.218 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000297852482 553347587 /nfs/dbraw/zinc/34/75/87/553347587.db2.gz LJBXGSXOKOMVKD-UHFFFAOYSA-N 0 3 362.430 2.142 20 5 FEBDHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000503517223 561643464 /nfs/dbraw/zinc/64/34/64/561643464.db2.gz PSEJAJRUWMPOBP-TZMCWYRMSA-N 0 3 355.341 2.234 20 5 FEBDHN Cc1cc(F)ccc1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000298414769 553422324 /nfs/dbraw/zinc/42/23/24/553422324.db2.gz XHDOZGRCCAUHTN-QGZVFWFLSA-N 0 3 362.405 2.479 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccncn3)CC2)c1 ZINC000298425606 553423684 /nfs/dbraw/zinc/42/36/84/553423684.db2.gz PTQNETHWQRXXJH-INIZCTEOSA-N 0 3 358.398 2.004 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000299130956 553519583 /nfs/dbraw/zinc/51/95/83/553519583.db2.gz NOPZYRVDQGRXFP-KRWDZBQOSA-N 0 3 357.414 2.135 20 5 FEBDHN CCc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])nc2C)N(C)C)cc1 ZINC000299411241 553559979 /nfs/dbraw/zinc/55/99/79/553559979.db2.gz QSNUVQZTDQLKSC-INIZCTEOSA-N 0 3 359.430 2.081 20 5 FEBDHN Cc1nn(C)c(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549008 553660165 /nfs/dbraw/zinc/66/01/65/553660165.db2.gz LTGIAMPOSYJJSX-OKILXGFUSA-N 0 3 365.478 2.352 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572233 553662291 /nfs/dbraw/zinc/66/22/91/553662291.db2.gz LETMUGXUWSEPBU-DYVFJYSZSA-N 0 3 369.425 2.411 20 5 FEBDHN CC1CCN(C[C@@H](O)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897641 553689608 /nfs/dbraw/zinc/68/96/08/553689608.db2.gz RKEILMZRJWHWHL-NSHDSACASA-N 0 3 373.251 2.257 20 5 FEBDHN Cc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302479488 553718025 /nfs/dbraw/zinc/71/80/25/553718025.db2.gz WBCNQUMEMLZYLC-IBGZPJMESA-N 0 3 356.426 2.371 20 5 FEBDHN COCCN(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000505485832 561672030 /nfs/dbraw/zinc/67/20/30/561672030.db2.gz FTJITOAKVZXSBG-HNNXBMFYSA-N 0 3 360.414 2.362 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000507493212 561730894 /nfs/dbraw/zinc/73/08/94/561730894.db2.gz HBMHOKFQUURJCC-LSDHHAIUSA-N 0 3 367.471 2.432 20 5 FEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330613207 554146023 /nfs/dbraw/zinc/14/60/23/554146023.db2.gz YMPBXYBWVPEWQO-UHFFFAOYSA-N 0 3 361.851 2.211 20 5 FEBDHN Cc1cc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081030 554375798 /nfs/dbraw/zinc/37/57/98/554375798.db2.gz LAVNPDNHABXLIH-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1C ZINC000332089435 554378277 /nfs/dbraw/zinc/37/82/77/554378277.db2.gz UQQJZFJWONSMAO-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332445843 554447498 /nfs/dbraw/zinc/44/74/98/554447498.db2.gz KUPBWLBVYZFPFK-KZULUSFZSA-N 0 3 360.414 2.274 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510720086 561844378 /nfs/dbraw/zinc/84/43/78/561844378.db2.gz LZORSWNXCSFVMA-KBPBESRZSA-N 0 3 353.444 2.041 20 5 FEBDHN COc1ccc(CN[C@@H]2CCCN(Cc3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000362970634 555003887 /nfs/dbraw/zinc/00/38/87/555003887.db2.gz MJOZBZMXTSSMCB-CQSZACIVSA-N 0 3 361.402 2.049 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]1CN1CCCC1 ZINC000363343224 555081607 /nfs/dbraw/zinc/08/16/07/555081607.db2.gz PPVPWQDARHYWMR-ZDUSSCGKSA-N 0 3 351.378 2.200 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000363680232 555162412 /nfs/dbraw/zinc/16/24/12/555162412.db2.gz YHJIXEZNBQVPJQ-HNNXBMFYSA-N 0 3 374.441 2.319 20 5 FEBDHN Nc1c(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204394 555269065 /nfs/dbraw/zinc/26/90/65/555269065.db2.gz KLBQSBHBZGAXDB-ZIAGYGMSSA-N 0 3 362.336 2.022 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ccc([N+](=O)[O-])cc1 ZINC000364298603 555286997 /nfs/dbraw/zinc/28/69/97/555286997.db2.gz GXKLELSVVKMJBR-UHFFFAOYSA-N 0 3 358.446 2.391 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000365047753 555473141 /nfs/dbraw/zinc/47/31/41/555473141.db2.gz YELBKDFZHFJPQF-HZPDHXFCSA-N 0 3 350.415 2.083 20 5 FEBDHN CN1C(=O)C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365204511 555510594 /nfs/dbraw/zinc/51/05/94/555510594.db2.gz RPMIMOCNVRSPLY-YQVWRLOYSA-N 0 3 373.384 2.329 20 5 FEBDHN CCCc1n[nH]c(C(=O)N(C)C2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365301634 555536632 /nfs/dbraw/zinc/53/66/32/555536632.db2.gz WUMHWNXDDLHVGB-UHFFFAOYSA-N 0 3 372.429 2.406 20 5 FEBDHN CCCc1[nH]nc(C(=O)N(C)C2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365301634 555536635 /nfs/dbraw/zinc/53/66/35/555536635.db2.gz WUMHWNXDDLHVGB-UHFFFAOYSA-N 0 3 372.429 2.406 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000513912625 561954330 /nfs/dbraw/zinc/95/43/30/561954330.db2.gz FVXVVGLDKRRRIK-MRXNPFEDSA-N 0 3 371.441 2.359 20 5 FEBDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)no1 ZINC000366700618 555912545 /nfs/dbraw/zinc/91/25/45/555912545.db2.gz XMSXTBLFXZTCDH-GJZGRUSLSA-N 0 3 357.414 2.104 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000366829071 555945624 /nfs/dbraw/zinc/94/56/24/555945624.db2.gz ZUDAIKCRQPRVES-UHFFFAOYSA-N 0 3 353.444 2.091 20 5 FEBDHN Nc1nccc([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990254 555990704 /nfs/dbraw/zinc/99/07/04/555990704.db2.gz SHSBAWACZDMZBR-CYBMUJFWSA-N 0 3 370.413 2.175 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000367270836 556004703 /nfs/dbraw/zinc/00/47/03/556004703.db2.gz MKLGQYJKINTUMG-AWEZNQCLSA-N 0 3 363.414 2.355 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)n1 ZINC000367548542 556079800 /nfs/dbraw/zinc/07/98/00/556079800.db2.gz CQAFNJXFRAAVQL-IAQYHMDHSA-N 0 3 363.443 2.203 20 5 FEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000367934083 556176338 /nfs/dbraw/zinc/17/63/38/556176338.db2.gz FPGRCOULURNLFW-CQSZACIVSA-N 0 3 360.458 2.402 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000368389380 556294631 /nfs/dbraw/zinc/29/46/31/556294631.db2.gz WHFXOSNCIFPUPG-AWEZNQCLSA-N 0 3 352.822 2.167 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368964548 556460602 /nfs/dbraw/zinc/46/06/02/556460602.db2.gz GLXMHBGNIQKJER-RDJZCZTQSA-N 0 3 363.458 2.079 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN([C@H](C)CO)CC1 ZINC000368967330 556461393 /nfs/dbraw/zinc/46/13/93/556461393.db2.gz WTSXZQAOHQCRHO-OAHLLOKOSA-N 0 3 351.447 2.271 20 5 FEBDHN CN1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000369573315 556635570 /nfs/dbraw/zinc/63/55/70/556635570.db2.gz KPLTURRCWDJFQX-BLLLJJGKSA-N 0 3 363.443 2.052 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000370094322 556779219 /nfs/dbraw/zinc/77/92/19/556779219.db2.gz XTDHLWKYEVWZBK-CYBMUJFWSA-N 0 3 372.385 2.299 20 5 FEBDHN CC1=C[C@@H](C)C[C@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516367 562045579 /nfs/dbraw/zinc/04/55/79/562045579.db2.gz QGQYINRINJNEDT-HIFRSBDPSA-N 0 3 367.471 2.455 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370502172 556892813 /nfs/dbraw/zinc/89/28/13/556892813.db2.gz APDMFGZVSDJUSK-INIZCTEOSA-N 0 3 371.393 2.329 20 5 FEBDHN Cc1cnn([C@@H]2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000516999391 562070226 /nfs/dbraw/zinc/07/02/26/562070226.db2.gz PSVCVFCQUVFDRU-OAHLLOKOSA-N 0 3 371.397 2.345 20 5 FEBDHN Cc1cn2c(n1)CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491997 557198987 /nfs/dbraw/zinc/19/89/87/557198987.db2.gz ZRCAUQKUKJZWMS-ZIAGYGMSSA-N 0 3 357.414 2.340 20 5 FEBDHN CC[C@@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047415 557365662 /nfs/dbraw/zinc/36/56/62/557365662.db2.gz QNIPERXCKYSECA-PKOBYXMFSA-N 0 3 362.474 2.042 20 5 FEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000519828506 562145805 /nfs/dbraw/zinc/14/58/05/562145805.db2.gz TZDIAQCVSZFKSG-NSHDSACASA-N 0 3 365.789 2.454 20 5 FEBDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000373207216 557649728 /nfs/dbraw/zinc/64/97/28/557649728.db2.gz COTXNAPNLOQNTA-LMMKCTJWSA-N 0 3 369.425 2.315 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[nH]2)CC1 ZINC000373234494 557655483 /nfs/dbraw/zinc/65/54/83/557655483.db2.gz WFJHYGMQOFPNAR-UHFFFAOYSA-N 0 3 365.340 2.589 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520377924 562154975 /nfs/dbraw/zinc/15/49/75/562154975.db2.gz WEBJCXKUAQPVGR-OAHLLOKOSA-N 0 3 350.419 2.147 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000373747249 557750651 /nfs/dbraw/zinc/75/06/51/557750651.db2.gz TZFKXOZGEJQTDU-AWEZNQCLSA-N 0 3 350.419 2.132 20 5 FEBDHN COCCN(CCN(C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520562499 562159010 /nfs/dbraw/zinc/15/90/10/562159010.db2.gz VHVCIJDKFZWUBH-LBPRGKRZSA-N 0 3 373.837 2.052 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000555865937 674379385 /nfs/dbraw/zinc/37/93/85/674379385.db2.gz AZAGYAPZEXEIPF-JTQLQIEISA-N 0 3 356.220 2.490 20 5 FEBDHN C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000374253860 557851829 /nfs/dbraw/zinc/85/18/29/557851829.db2.gz KMPZOZOSXMOXPC-LBPRGKRZSA-N 0 3 354.401 2.478 20 5 FEBDHN CN1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](c2ccccc2)C1 ZINC000374315861 557863981 /nfs/dbraw/zinc/86/39/81/557863981.db2.gz ZTSHPEASARICOT-NVXWUHKLSA-N 0 3 373.384 2.327 20 5 FEBDHN O=C1[C@H](N2CC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366432 557872626 /nfs/dbraw/zinc/87/26/26/557872626.db2.gz NUBWWCLGPASVNM-MAUKXSAKSA-N 0 3 359.426 2.449 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000521116037 562169912 /nfs/dbraw/zinc/16/99/12/562169912.db2.gz CVEPDSNAMZQHSX-UHFFFAOYSA-N 0 3 372.425 2.420 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783052 557930738 /nfs/dbraw/zinc/93/07/38/557930738.db2.gz VPKFJOULUQOLHV-MRXNPFEDSA-N 0 3 350.438 2.334 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098606 557977622 /nfs/dbraw/zinc/97/76/22/557977622.db2.gz CBEYEYYXBMACQZ-LRDDRELGSA-N 0 3 370.409 2.254 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098606 557977624 /nfs/dbraw/zinc/97/76/24/557977624.db2.gz CBEYEYYXBMACQZ-LRDDRELGSA-N 0 3 370.409 2.254 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C1 ZINC000375523045 558042602 /nfs/dbraw/zinc/04/26/02/558042602.db2.gz WEEDUVDPABYAQI-LBPRGKRZSA-N 0 3 373.379 2.225 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000521570025 562178926 /nfs/dbraw/zinc/17/89/26/562178926.db2.gz XMFHJMJMGHZKQE-UHFFFAOYSA-N 0 3 366.368 2.416 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC(F)F ZINC000375902035 558096183 /nfs/dbraw/zinc/09/61/83/558096183.db2.gz DZHPFZUHFWQCJI-GXTWGEPZSA-N 0 3 357.357 2.232 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535188 562199537 /nfs/dbraw/zinc/19/95/37/562199537.db2.gz VBLJIABGXCLCQW-QWHCGFSZSA-N 0 3 351.451 2.177 20 5 FEBDHN Cc1c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000523392436 562212225 /nfs/dbraw/zinc/21/22/25/562212225.db2.gz HLWPCTYCPOYCQX-UHFFFAOYSA-N 0 3 365.430 2.249 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000378369644 558542010 /nfs/dbraw/zinc/54/20/10/558542010.db2.gz YWKGERUABXYNNR-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000523947682 562221976 /nfs/dbraw/zinc/22/19/76/562221976.db2.gz MEPXYTJFPANIRV-MRXNPFEDSA-N 0 3 359.430 2.217 20 5 FEBDHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183026 558654640 /nfs/dbraw/zinc/65/46/40/558654640.db2.gz OUYAGVXAVZMZCE-YOEHRIQHSA-N 0 3 358.442 2.043 20 5 FEBDHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182444 558654722 /nfs/dbraw/zinc/65/47/22/558654722.db2.gz KRVWHBQBBWHGCU-WMLDXEAASA-N 0 3 358.442 2.043 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000411140296 558843980 /nfs/dbraw/zinc/84/39/80/558843980.db2.gz MSRAPJXTEAUOKJ-CQSZACIVSA-N 0 3 364.446 2.243 20 5 FEBDHN CNC(=O)C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411681206 558942971 /nfs/dbraw/zinc/94/29/71/558942971.db2.gz OGNBJDULIRXQDO-INIZCTEOSA-N 0 3 370.409 2.390 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@](C)(OC)C1CC1 ZINC000411964291 558996153 /nfs/dbraw/zinc/99/61/53/558996153.db2.gz DBEZMWCKTQGWPN-PIGZYNQJSA-N 0 3 351.403 2.335 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1F ZINC000412186461 559018979 /nfs/dbraw/zinc/01/89/79/559018979.db2.gz SCFFZJLZGGYJEP-WCQYABFASA-N 0 3 353.394 2.130 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCC23CCN(C)CC3)c1F ZINC000412226626 559021233 /nfs/dbraw/zinc/02/12/33/559021233.db2.gz MEXKYMFGHPCICN-UHFFFAOYSA-N 0 3 365.405 2.372 20 5 FEBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000413537495 559115073 /nfs/dbraw/zinc/11/50/73/559115073.db2.gz RUVBWZSFCKHMHJ-SJLPKXTDSA-N 0 3 356.426 2.939 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000416561427 559321994 /nfs/dbraw/zinc/32/19/94/559321994.db2.gz ULBQLFYJVXVGIO-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN N[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418405180 559400439 /nfs/dbraw/zinc/40/04/39/559400439.db2.gz AYNWHCYGBFSJON-MRXNPFEDSA-N 0 3 356.382 2.199 20 5 FEBDHN N[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000418423114 559400866 /nfs/dbraw/zinc/40/08/66/559400866.db2.gz FEOOWWRVLRYARN-QGZVFWFLSA-N 0 3 356.382 2.067 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000420406267 559486011 /nfs/dbraw/zinc/48/60/11/559486011.db2.gz NLHZNJWLKVPMJP-QGZVFWFLSA-N 0 3 354.410 2.488 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)c1 ZINC000420478086 559489575 /nfs/dbraw/zinc/48/95/75/559489575.db2.gz VZBIXACJZQKODF-CQSZACIVSA-N 0 3 361.423 2.290 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000424074357 559653877 /nfs/dbraw/zinc/65/38/77/559653877.db2.gz JYLCTQODJABEAP-HNNXBMFYSA-N 0 3 369.377 2.302 20 5 FEBDHN CCc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000429044810 559789966 /nfs/dbraw/zinc/78/99/66/559789966.db2.gz FHCLRBYHDANLLR-UHFFFAOYSA-N 0 3 355.398 2.214 20 5 FEBDHN CCOc1cc(NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431491738 559840148 /nfs/dbraw/zinc/84/01/48/559840148.db2.gz XZQFHLQCDQCPKB-UHFFFAOYSA-N 0 3 364.446 2.398 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180028 559853492 /nfs/dbraw/zinc/85/34/92/559853492.db2.gz TXRJDOXHQGUFOZ-HIFRSBDPSA-N 0 3 372.425 2.320 20 5 FEBDHN CC1(C)C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433302535 559876493 /nfs/dbraw/zinc/87/64/93/559876493.db2.gz XVMIJUKOQNQPHY-CJNGLKHVSA-N 0 3 367.471 2.331 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000445706475 560134073 /nfs/dbraw/zinc/13/40/73/560134073.db2.gz DZTKEPKAFWIUBS-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN CCc1nn(C)c(OC)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589602 560164989 /nfs/dbraw/zinc/16/49/89/560164989.db2.gz YMENMVBREDUYDI-LSDHHAIUSA-N 0 3 362.434 2.369 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448325850 560184727 /nfs/dbraw/zinc/18/47/27/560184727.db2.gz SZXNKDFAYPKLLG-HNNXBMFYSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccnc1N1CCN(C)CC1 ZINC000449104443 560215974 /nfs/dbraw/zinc/21/59/74/560215974.db2.gz FQZLSXBGYVHYFW-INIZCTEOSA-N 0 3 369.469 2.462 20 5 FEBDHN O=C1[C@H](N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419599 560305851 /nfs/dbraw/zinc/30/58/51/560305851.db2.gz LSICWUSEHOBQGH-BSDSXHPESA-N 0 3 359.426 2.326 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]21 ZINC000451480819 560309626 /nfs/dbraw/zinc/30/96/26/560309626.db2.gz RGBSKUMGLHFNGH-OLMNPRSZSA-N 0 3 359.426 2.277 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501276 560310706 /nfs/dbraw/zinc/31/07/06/560310706.db2.gz OSBPHOQGNAMEBY-COLVAYQJSA-N 0 3 351.403 2.334 20 5 FEBDHN C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000452184194 560355005 /nfs/dbraw/zinc/35/50/05/560355005.db2.gz QTCWCPMHPCJTLN-ZDUSSCGKSA-N 0 3 358.398 2.421 20 5 FEBDHN CC[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000453099169 560383257 /nfs/dbraw/zinc/38/32/57/560383257.db2.gz YLDVTTSQSYHSEE-MRXNPFEDSA-N 0 3 364.427 2.009 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453257999 560384878 /nfs/dbraw/zinc/38/48/78/560384878.db2.gz HLAZRFJHONBKCV-GOEBONIOSA-N 0 3 351.447 2.491 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000454097264 560428978 /nfs/dbraw/zinc/42/89/78/560428978.db2.gz MJMQOSLMXDMMGH-CQSZACIVSA-N 0 3 362.430 2.091 20 5 FEBDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000455113629 560470700 /nfs/dbraw/zinc/47/07/00/560470700.db2.gz UWTKLGKTLCIYOJ-RCBQFDQVSA-N 0 3 350.419 2.016 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000455134364 560471297 /nfs/dbraw/zinc/47/12/97/560471297.db2.gz DEADROWYAWIYRV-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@H](OC)C12CCC2 ZINC000459759016 560706744 /nfs/dbraw/zinc/70/67/44/560706744.db2.gz LQZTVLDDISSALK-UVBJJODRSA-N 0 3 363.414 2.478 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000462191671 560800995 /nfs/dbraw/zinc/80/09/95/560800995.db2.gz WAPVYQCESJFZOP-RHSMWYFYSA-N 0 3 371.441 2.163 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000465994034 560877496 /nfs/dbraw/zinc/87/74/96/560877496.db2.gz YTEKBIIIBAONDB-HNNXBMFYSA-N 0 3 363.462 2.489 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@H]1C(C)C ZINC000471205740 561000297 /nfs/dbraw/zinc/00/02/97/561000297.db2.gz WKKAVTWCCPHINK-INIZCTEOSA-N 0 3 364.446 2.204 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000472631372 561031458 /nfs/dbraw/zinc/03/14/58/561031458.db2.gz MRFJPHRBAOYICI-JHSOUAKNSA-N 0 3 353.444 2.058 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985006 561062927 /nfs/dbraw/zinc/06/29/27/561062927.db2.gz RHOAOBYDKDNWFK-DOMZBBRYSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345190 561071681 /nfs/dbraw/zinc/07/16/81/561071681.db2.gz AFPBWEPQHMMSKE-VUCTXSBTSA-N 0 3 364.398 2.050 20 5 FEBDHN CN(CCN(C)C1CC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000474577068 561077279 /nfs/dbraw/zinc/07/72/79/561077279.db2.gz LMNVQYNHVZQUIQ-UHFFFAOYSA-N 0 3 357.414 2.162 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000476418672 561118942 /nfs/dbraw/zinc/11/89/42/561118942.db2.gz NRZVZHDEJUUBAG-UHFFFAOYSA-N 0 3 357.414 2.244 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(OCCN2CCCC2)cc1 ZINC000476662807 561125544 /nfs/dbraw/zinc/12/55/44/561125544.db2.gz PMWKFXFJTMJIJN-UHFFFAOYSA-N 0 3 373.413 2.080 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530715778 562421675 /nfs/dbraw/zinc/42/16/75/562421675.db2.gz AHJDCVALUWNCDR-OLZOCXBDSA-N 0 3 361.398 2.065 20 5 FEBDHN COc1ccc(CC(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000531775215 562456336 /nfs/dbraw/zinc/45/63/36/562456336.db2.gz DAONRAGINJQNSG-UHFFFAOYSA-N 0 3 361.398 2.329 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569802228 568425831 /nfs/dbraw/zinc/42/58/31/568425831.db2.gz SFCFAYAXSXVVHA-ZDUSSCGKSA-N 0 3 357.414 2.220 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569802228 568425833 /nfs/dbraw/zinc/42/58/33/568425833.db2.gz SFCFAYAXSXVVHA-ZDUSSCGKSA-N 0 3 357.414 2.220 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@H]1CN ZINC000569847466 568428404 /nfs/dbraw/zinc/42/84/04/568428404.db2.gz ZVANDQWQTYQUBQ-QGZVFWFLSA-N 0 3 370.409 2.100 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925373 674428230 /nfs/dbraw/zinc/42/82/30/674428230.db2.gz RSQCPRCMSGNCFH-DOTOQJQBSA-N 0 3 367.471 2.376 20 5 FEBDHN C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824568617 607530925 /nfs/dbraw/zinc/53/09/25/607530925.db2.gz BCIXZOQBMXUNCW-BZNIZROVSA-N 0 3 354.370 2.159 20 5 FEBDHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102645 674719678 /nfs/dbraw/zinc/71/96/78/674719678.db2.gz HWVFTOXANQWTMP-RISCZKNCSA-N 0 3 355.366 2.002 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[N+](=O)[O-] ZINC000813101433 674719052 /nfs/dbraw/zinc/71/90/52/674719052.db2.gz AABKQBDLEBEAAR-OLZOCXBDSA-N 0 3 370.427 2.072 20 5 FEBDHN CC(COC(=O)c1cn(-c2ccc(Br)cc2)cn1)[N+](=O)[O-] ZINC000813114537 674721537 /nfs/dbraw/zinc/72/15/37/674721537.db2.gz SMVBDQMICLYXKT-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)[N+](=O)[O-] ZINC000813105990 674719832 /nfs/dbraw/zinc/71/98/32/674719832.db2.gz XEGSUALLLSCOSK-NEPJUHHUSA-N 0 3 353.350 2.278 20 5 FEBDHN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105664 674719983 /nfs/dbraw/zinc/71/99/83/674719983.db2.gz RIZXHEWZMMBLOO-MFKMUULPSA-N 0 3 374.846 2.400 20 5 FEBDHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106387 674720422 /nfs/dbraw/zinc/72/04/22/674720422.db2.gz CEYIWOUMLLFPNH-ZDUSSCGKSA-N 0 3 372.443 2.319 20 5 FEBDHN CO[C@@H]1[C@H](C)[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452248 675122566 /nfs/dbraw/zinc/12/25/66/675122566.db2.gz ZRPDHFHQARHJOX-KCPJHIHWSA-N 0 3 356.444 2.018 20 5 FEBDHN CC(C)[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804827 671046058 /nfs/dbraw/zinc/04/60/58/671046058.db2.gz ZVKGMKDFMKLBKN-LBPRGKRZSA-N 0 3 364.183 2.306 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cccc(F)c2)cc1 ZINC000576696085 671387389 /nfs/dbraw/zinc/38/73/89/671387389.db2.gz COOBZGOMIAIHQE-UHFFFAOYSA-N 0 3 352.387 2.340 20 5 FEBDHN COc1ncc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000578350512 671658916 /nfs/dbraw/zinc/65/89/16/671658916.db2.gz PMENMYRUAJCWKL-CYBMUJFWSA-N 0 3 367.789 2.181 20 5 FEBDHN CO[C@]1(C)C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130255 671784626 /nfs/dbraw/zinc/78/46/26/671784626.db2.gz LJTNUXFMXDMHGE-GOEBONIOSA-N 0 3 356.444 2.162 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135144 675956361 /nfs/dbraw/zinc/95/63/61/675956361.db2.gz KFRZMQVSKTWMGJ-ZIAGYGMSSA-N 0 3 355.460 2.397 20 5 FEBDHN CCCCCCNC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221797 672374468 /nfs/dbraw/zinc/37/44/68/672374468.db2.gz ZXTTUEVKHKQPJL-OAHLLOKOSA-N 0 3 351.451 2.200 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC[NH+](CC2CC2)CC1 ZINC000193959804 672742735 /nfs/dbraw/zinc/74/27/35/672742735.db2.gz ASIIYGMWEGIQKL-UHFFFAOYSA-N 0 3 373.862 2.401 20 5 FEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)c(Br)c1 ZINC000250757008 672876382 /nfs/dbraw/zinc/87/63/82/672876382.db2.gz GIZMVFQZTPADJA-GXSJLCMTSA-N 0 3 357.208 2.027 20 5 FEBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534727 672936300 /nfs/dbraw/zinc/93/63/00/672936300.db2.gz RJWZHERYLZHWSD-NFAWXSAZSA-N 0 3 368.459 2.016 20 5 FEBDHN COc1cc(CN[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681824 673243350 /nfs/dbraw/zinc/24/33/50/673243350.db2.gz KFPJMVNKXRMEBZ-LLVKDONJSA-N 0 3 363.336 2.338 20 5 FEBDHN CNS(=O)(=O)c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000595476753 673255961 /nfs/dbraw/zinc/25/59/61/673255961.db2.gz OSYSUKLNBPJLGI-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540476418 673541423 /nfs/dbraw/zinc/54/14/23/673541423.db2.gz NMGHOXRSDQXYMF-IVSAIRAKSA-N 0 3 351.447 2.024 20 5 FEBDHN CCOc1cc(C(=O)N2CCN[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000598577078 673585711 /nfs/dbraw/zinc/58/57/11/673585711.db2.gz UZOLOVOWTJTXEJ-ZDUSSCGKSA-N 0 3 351.403 2.072 20 5 FEBDHN COc1cc(CNCC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000599005463 673628004 /nfs/dbraw/zinc/62/80/04/673628004.db2.gz AHIOTNMSSJFRNS-UHFFFAOYSA-N 0 3 351.403 2.047 20 5 FEBDHN COc1cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000599005463 673628005 /nfs/dbraw/zinc/62/80/05/673628005.db2.gz AHIOTNMSSJFRNS-UHFFFAOYSA-N 0 3 351.403 2.047 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599622577 673698368 /nfs/dbraw/zinc/69/83/68/673698368.db2.gz LQFWZXBYTLXEMJ-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN Nc1c(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600229947 673750263 /nfs/dbraw/zinc/75/02/63/673750263.db2.gz YQVRMEIZCNEGEG-ZDUSSCGKSA-N 0 3 350.394 2.453 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601356612 673847598 /nfs/dbraw/zinc/84/75/98/673847598.db2.gz SJPUQRBKWKVQIC-JQWIXIFHSA-N 0 3 361.489 2.316 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(CCN2CCOCC2)[C@@H]2CCSC2)cc1 ZINC000602880477 673912770 /nfs/dbraw/zinc/91/27/70/673912770.db2.gz GGICSOMSKREBAG-QGZVFWFLSA-N 0 3 351.472 2.235 20 5 FEBDHN COc1cc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891729 673913293 /nfs/dbraw/zinc/91/32/93/673913293.db2.gz OKWJRODJJBOHEF-DOTOQJQBSA-N 0 3 350.415 2.403 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCCCS(=O)(=O)c2ccccc2)cc1 ZINC000818981059 675249472 /nfs/dbraw/zinc/24/94/72/675249472.db2.gz NTIWENSMTILQBD-KRWDZBQOSA-N 0 3 364.423 2.082 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C/CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225034 675271446 /nfs/dbraw/zinc/27/14/46/675271446.db2.gz SIHIOTIFNWCZNO-MBVDDHJVSA-N 0 3 351.403 2.299 20 5 FEBDHN COC(=O)C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000754539056 680362137 /nfs/dbraw/zinc/36/21/37/680362137.db2.gz LVRJYQNOSGFXSR-LBPRGKRZSA-N 0 3 355.778 2.118 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000777998907 681554847 /nfs/dbraw/zinc/55/48/47/681554847.db2.gz FZXWSILVEALQLK-LBPRGKRZSA-N 0 3 359.423 2.005 20 5 FEBDHN CS[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000935112653 681690258 /nfs/dbraw/zinc/69/02/58/681690258.db2.gz GDTCOQDAGIWRAE-HUUCEWRRSA-N 0 3 355.435 2.171 20 5 FEBDHN CC(C)N(CCN(C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781748491 681969052 /nfs/dbraw/zinc/96/90/52/681969052.db2.gz YJDDTFASYIYRNW-UHFFFAOYSA-N 0 3 352.391 2.234 20 5 FEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000915297527 685514067 /nfs/dbraw/zinc/51/40/67/685514067.db2.gz PBYAZPGVJYQHIM-VXGBXAGGSA-N 0 3 350.375 2.496 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000782482592 682047576 /nfs/dbraw/zinc/04/75/76/682047576.db2.gz KSJSUAWVTVIDHH-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN CC(C)(NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000915846089 685518885 /nfs/dbraw/zinc/51/88/85/685518885.db2.gz SNOUGJBTWYWBMP-KRWDZBQOSA-N 0 3 367.471 2.235 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000854643862 682574395 /nfs/dbraw/zinc/57/43/95/682574395.db2.gz ZJDMWAVLHSNAOO-GOEBONIOSA-N 0 3 367.833 2.492 20 5 FEBDHN Cc1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1Br ZINC000798216487 683322316 /nfs/dbraw/zinc/32/23/16/683322316.db2.gz QETRNYOJGATYGJ-UHFFFAOYSA-N 0 3 358.236 2.170 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928446099 683453248 /nfs/dbraw/zinc/45/32/48/683453248.db2.gz VDHVHERKRCQDQE-RISCZKNCSA-N 0 3 353.444 2.156 20 5 FEBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000930715030 683775008 /nfs/dbraw/zinc/77/50/08/683775008.db2.gz MTLURBAGGDVVLV-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN COc1cc(CN[C@H]2C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000923007375 683818401 /nfs/dbraw/zinc/81/84/01/683818401.db2.gz LJEMCDDYIQQTJK-HOMQSWHASA-N 0 3 364.320 2.405 20 5 FEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000865789644 684029008 /nfs/dbraw/zinc/02/90/08/684029008.db2.gz LHXXBFMJJMSMDJ-ZDUSSCGKSA-N 0 3 351.378 2.107 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931610391 684312879 /nfs/dbraw/zinc/31/28/79/684312879.db2.gz ONWHGMJRCCYXFW-ZDUSSCGKSA-N 0 3 352.366 2.109 20 5 FEBDHN CN(CCN1CCCC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000931898173 684366698 /nfs/dbraw/zinc/36/66/98/684366698.db2.gz ZYKISKNBPVYQHW-UHFFFAOYSA-N 0 3 371.235 2.107 20 5 FEBDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000925245824 684543812 /nfs/dbraw/zinc/54/38/12/684543812.db2.gz UWTKLGKTLCIYOJ-KCXAZCMYSA-N 0 3 350.419 2.016 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882768769 687480130 /nfs/dbraw/zinc/48/01/30/687480130.db2.gz RNKPHARQHMRALY-UHFFFAOYSA-N 0 3 371.434 2.291 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(S(=O)(=O)N(C)C)CC1 ZINC000886321194 688230931 /nfs/dbraw/zinc/23/09/31/688230931.db2.gz WHCHIKUEWCUTDT-UKTHLTGXSA-N 0 3 353.444 2.012 20 5 FEBDHN CCN(CCO)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897416205 690020265 /nfs/dbraw/zinc/02/02/65/690020265.db2.gz SIWPBGHGFKKOAC-UHFFFAOYSA-N 0 3 368.192 2.085 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901058704 690606236 /nfs/dbraw/zinc/60/62/36/690606236.db2.gz XJPIYYQAUZGUOS-GFCCVEGCSA-N 0 3 371.796 2.370 20 5 FEBDHN Nc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164909332 721541504 /nfs/dbraw/zinc/54/15/04/721541504.db2.gz RMJSKYNZDCGVNW-ZFWWWQNUSA-N 0 3 373.388 2.053 20 5 FEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473510049 887209521 /nfs/dbraw/zinc/20/95/21/887209521.db2.gz FCHDQFOQBUSTBI-MRXNPFEDSA-N 0 3 371.441 2.498 20 5 FEBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834794 889257915 /nfs/dbraw/zinc/25/79/15/889257915.db2.gz UYXMBEMSOICVLV-WCQYABFASA-N 0 3 361.402 2.484 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041443357 540021875 /nfs/dbraw/zinc/02/18/75/540021875.db2.gz BDKGWLCYPYYKAN-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000041644052 540028474 /nfs/dbraw/zinc/02/84/74/540028474.db2.gz GGZSIXXPZDXOGP-UONOGXRCSA-N 0 3 362.430 2.221 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000041651444 540029656 /nfs/dbraw/zinc/02/96/56/540029656.db2.gz JUHDRTIKAOMDCG-JSGCOSHPSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000041669652 540030460 /nfs/dbraw/zinc/03/04/60/540030460.db2.gz CDMOPNWGUBNQIB-LLVKDONJSA-N 0 3 368.821 2.035 20 5 FEBDHN CCN1CCN(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000042590777 540068643 /nfs/dbraw/zinc/06/86/43/540068643.db2.gz OGBHGEKBVQESMO-UHFFFAOYSA-N 0 3 362.474 2.260 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000044533790 540129776 /nfs/dbraw/zinc/12/97/76/540129776.db2.gz FFHRVZLVRDKZEE-CQSZACIVSA-N 0 3 357.414 2.242 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000046948019 540278963 /nfs/dbraw/zinc/27/89/63/540278963.db2.gz WYMIAWGTTAZDCP-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000054645367 540600001 /nfs/dbraw/zinc/60/00/01/540600001.db2.gz CKKKZFMZDYGOIG-UHFFFAOYSA-N 0 3 355.398 2.064 20 5 FEBDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000057843593 540819097 /nfs/dbraw/zinc/81/90/97/540819097.db2.gz PIHFIZPWCHEMAD-CYBMUJFWSA-N 0 3 363.439 2.478 20 5 FEBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063574754 541174130 /nfs/dbraw/zinc/17/41/30/541174130.db2.gz LVXOOWZVYMOENS-AEFFLSMTSA-N 0 3 369.425 2.324 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000065791701 541261877 /nfs/dbraw/zinc/26/18/77/541261877.db2.gz PORLUSQUSWMDMY-UHFFFAOYSA-N 0 3 355.460 2.310 20 5 FEBDHN CCN(C)CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000066373534 541309472 /nfs/dbraw/zinc/30/94/72/541309472.db2.gz BLBCYDHJFZQGQX-UHFFFAOYSA-N 0 3 370.475 2.133 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066630144 541350991 /nfs/dbraw/zinc/35/09/91/541350991.db2.gz JLHCYYFASSPPFO-QWHCGFSZSA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000067825333 541517430 /nfs/dbraw/zinc/51/74/30/541517430.db2.gz RWKNZQZNHQVJGI-RDJZCZTQSA-N 0 3 369.425 2.243 20 5 FEBDHN CCCc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068229338 541566239 /nfs/dbraw/zinc/56/62/39/541566239.db2.gz PMZIRRPVCOWFBP-ZDUSSCGKSA-N 0 3 361.402 2.430 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069423895 541685679 /nfs/dbraw/zinc/68/56/79/541685679.db2.gz BREWBIMWCBAEOT-LSDHHAIUSA-N 0 3 364.446 2.393 20 5 FEBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447268 542084919 /nfs/dbraw/zinc/08/49/19/542084919.db2.gz GTRHTPBJJHAGHT-OAHLLOKOSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447268 542084922 /nfs/dbraw/zinc/08/49/22/542084922.db2.gz GTRHTPBJJHAGHT-OAHLLOKOSA-N 0 3 357.414 2.363 20 5 FEBDHN COC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079776165 542541780 /nfs/dbraw/zinc/54/17/80/542541780.db2.gz WSGCRCAMZDGNOX-UHFFFAOYSA-N 0 3 356.810 2.481 20 5 FEBDHN Cc1cc(N2CCN(C(C)(C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000081017209 542624892 /nfs/dbraw/zinc/62/48/92/542624892.db2.gz HEGJZEUHDQXHEI-UHFFFAOYSA-N 0 3 371.441 2.253 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(CCN2CCCCC2)c1 ZINC000090819565 542788380 /nfs/dbraw/zinc/78/83/80/542788380.db2.gz KJFMMYGJWNRKIF-UHFFFAOYSA-N 0 3 357.414 2.458 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247423758 549332852 /nfs/dbraw/zinc/33/28/52/549332852.db2.gz OEUNFMUHNOSKBY-QMTHXVAHSA-N 0 3 350.375 2.224 20 5 FEBDHN CC(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000093821186 542942054 /nfs/dbraw/zinc/94/20/54/542942054.db2.gz UASFBJYLBTXVMX-SFHVURJKSA-N 0 3 374.485 2.457 20 5 FEBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000101518349 543027551 /nfs/dbraw/zinc/02/75/51/543027551.db2.gz HNWIRWKNQSDRHV-UHFFFAOYSA-N 0 3 369.393 2.079 20 5 FEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490212 543071786 /nfs/dbraw/zinc/07/17/86/543071786.db2.gz ZXXAEULTSCGFPQ-CYBMUJFWSA-N 0 3 351.451 2.153 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000104748830 543141507 /nfs/dbraw/zinc/14/15/07/543141507.db2.gz IEPXHPQBFBYGIB-NSHDSACASA-N 0 3 361.851 2.129 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)cc1OC ZINC000108340725 543287035 /nfs/dbraw/zinc/28/70/35/543287035.db2.gz JQCCICKKCSXBDQ-GFCCVEGCSA-N 0 3 351.403 2.074 20 5 FEBDHN COc1cc(CNCC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000111385811 543400538 /nfs/dbraw/zinc/40/05/38/543400538.db2.gz KCQJMORRWDFNTA-UHFFFAOYSA-N 0 3 352.309 2.405 20 5 FEBDHN CNC(=O)CCNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000114215993 543508153 /nfs/dbraw/zinc/50/81/53/543508153.db2.gz RPLVMAGFGGHJCN-UHFFFAOYSA-N 0 3 373.409 2.408 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115432660 543566868 /nfs/dbraw/zinc/56/68/68/543566868.db2.gz WGQIDUMTCQHGLR-AWEZNQCLSA-N 0 3 357.414 2.194 20 5 FEBDHN Cc1c(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000123011547 543737574 /nfs/dbraw/zinc/73/75/74/543737574.db2.gz BQBSWLFZMPOSQW-UHFFFAOYSA-N 0 3 374.397 2.025 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000124407877 543819452 /nfs/dbraw/zinc/81/94/52/543819452.db2.gz OWVNHCURBOAARH-KBPBESRZSA-N 0 3 357.414 2.335 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1C1CC1 ZINC000127614250 544003728 /nfs/dbraw/zinc/00/37/28/544003728.db2.gz LWTVYKQKGABEPT-CABCVRRESA-N 0 3 373.457 2.052 20 5 FEBDHN CCCN(C)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129208784 544096825 /nfs/dbraw/zinc/09/68/25/544096825.db2.gz PJQAAVOCDHLMIU-NSHDSACASA-N 0 3 361.489 2.228 20 5 FEBDHN COc1ccc(NC(=O)CN(C)CCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC000130349194 544147772 /nfs/dbraw/zinc/14/77/72/544147772.db2.gz BUSOKHVZVSRLIN-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151429072 544540038 /nfs/dbraw/zinc/54/00/38/544540038.db2.gz NMZIFMIKTSGDOG-GFCCVEGCSA-N 0 3 356.220 2.062 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1C ZINC000151624836 544563726 /nfs/dbraw/zinc/56/37/26/544563726.db2.gz ANLFFPFMIORHNY-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247530796 549351610 /nfs/dbraw/zinc/35/16/10/549351610.db2.gz OZTATBUCZXKHTJ-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179875806 327663227 /nfs/dbraw/zinc/66/32/27/327663227.db2.gz AEWAFZDLCWSVMF-GFCCVEGCSA-N 0 3 351.403 2.337 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCOC2=O)c1 ZINC000181301154 327724195 /nfs/dbraw/zinc/72/41/95/327724195.db2.gz HJVOLXWDYZWNIQ-ZDUSSCGKSA-N 0 3 372.381 2.064 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000182677861 327784345 /nfs/dbraw/zinc/78/43/45/327784345.db2.gz YFWWQNWUMWENTL-LBPRGKRZSA-N 0 3 370.837 2.279 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000183458291 327819199 /nfs/dbraw/zinc/81/91/99/327819199.db2.gz DOYVTMJNNYNHKV-UHFFFAOYSA-N 0 3 369.425 2.009 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccccc1 ZINC000183669699 327829746 /nfs/dbraw/zinc/82/97/46/327829746.db2.gz BDMWTDBZMWFXOQ-MRXNPFEDSA-N 0 3 359.382 2.255 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000188008633 328059970 /nfs/dbraw/zinc/05/99/70/328059970.db2.gz IFCPUAIJNZFBAU-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000188255064 328076027 /nfs/dbraw/zinc/07/60/27/328076027.db2.gz DDRRHYJEXVKWML-UHFFFAOYSA-N 0 3 371.459 2.100 20 5 FEBDHN C[C@@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000192822526 328341646 /nfs/dbraw/zinc/34/16/46/328341646.db2.gz ANLXBUBTRLRTAK-LSDHHAIUSA-N 0 3 374.441 2.179 20 5 FEBDHN CC(C)C(=O)N1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000192883543 328345123 /nfs/dbraw/zinc/34/51/23/328345123.db2.gz DNSZJIRDIZFYEM-ZDUSSCGKSA-N 0 3 362.430 2.158 20 5 FEBDHN COCc1nc2n(n1)C[C@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019667 328352468 /nfs/dbraw/zinc/35/24/68/328352468.db2.gz CHHNQOZLOFMRIV-CZUORRHYSA-N 0 3 357.414 2.315 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCC2)c1 ZINC000193322010 328368558 /nfs/dbraw/zinc/36/85/58/328368558.db2.gz GEIYUOHKAIBEJO-NSHDSACASA-N 0 3 361.851 2.352 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(C)CC[NH2+]CC2)c1 ZINC000193377807 328371531 /nfs/dbraw/zinc/37/15/31/328371531.db2.gz UEIITMIUAHJSQP-UHFFFAOYSA-N 0 3 361.851 2.225 20 5 FEBDHN CCOc1cc(C(=O)NC[C@@H](N)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000236892283 328497350 /nfs/dbraw/zinc/49/73/50/328497350.db2.gz SNQDUZBOIDICLK-CQSZACIVSA-N 0 3 359.382 2.432 20 5 FEBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410442 325358314 /nfs/dbraw/zinc/35/83/14/325358314.db2.gz YHEJJCBUFWBSKI-JSGCOSHPSA-N 0 3 350.419 2.448 20 5 FEBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000090539703 325362520 /nfs/dbraw/zinc/36/25/20/325362520.db2.gz LFPQZZGKMTWENR-NSHDSACASA-N 0 3 350.375 2.168 20 5 FEBDHN CC(C)[C@@H](CO)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090551816 325362635 /nfs/dbraw/zinc/36/26/35/325362635.db2.gz NZDOUPRJJMHWOP-GOSISDBHSA-N 0 3 359.426 2.276 20 5 FEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104413435 325538748 /nfs/dbraw/zinc/53/87/48/325538748.db2.gz ISFYRGMPEMURSM-INIZCTEOSA-N 0 3 357.414 2.337 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000109840081 325679010 /nfs/dbraw/zinc/67/90/10/325679010.db2.gz IULCURIAZPPZFX-NSHDSACASA-N 0 3 361.851 2.271 20 5 FEBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118117668 326082877 /nfs/dbraw/zinc/08/28/77/326082877.db2.gz OUMYRUAFVDGLAU-JTQLQIEISA-N 0 3 356.810 2.033 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118126409 326084140 /nfs/dbraw/zinc/08/41/40/326084140.db2.gz QCHSPRWHRQRFEP-LBPRGKRZSA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000119944282 326214846 /nfs/dbraw/zinc/21/48/46/326214846.db2.gz RELARHHIXNMWGS-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000121649409 326355109 /nfs/dbraw/zinc/35/51/09/326355109.db2.gz QOAUUHXPNNTJMN-DYVFJYSZSA-N 0 3 365.455 2.232 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000125928262 326480216 /nfs/dbraw/zinc/48/02/16/326480216.db2.gz JLJWQOGYFWPOHM-UHFFFAOYSA-N 0 3 357.414 2.065 20 5 FEBDHN Cc1cc(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000126917942 326497345 /nfs/dbraw/zinc/49/73/45/326497345.db2.gz ZLJOAPJFKVVMHQ-MRXNPFEDSA-N 0 3 373.409 2.457 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000132383343 326591798 /nfs/dbraw/zinc/59/17/98/326591798.db2.gz IMXBTERXDSYADF-UHFFFAOYSA-N 0 3 359.423 2.005 20 5 FEBDHN O=C1NCCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135435367 326641266 /nfs/dbraw/zinc/64/12/66/326641266.db2.gz XQMAEIPFRWVIOM-UHFFFAOYSA-N 0 3 362.430 2.243 20 5 FEBDHN O=C(CN1CCN(C2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000141849383 326665196 /nfs/dbraw/zinc/66/51/96/326665196.db2.gz QTTWVPMAMSFLMV-UHFFFAOYSA-N 0 3 372.469 2.434 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169087 326676434 /nfs/dbraw/zinc/67/64/34/326676434.db2.gz QCDVQPQMTCYAHY-XKVFNRALSA-N 0 3 363.414 2.478 20 5 FEBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895641 326718878 /nfs/dbraw/zinc/71/88/78/326718878.db2.gz VRKSLJPYTDVALW-SJORKVTESA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000162899061 327037526 /nfs/dbraw/zinc/03/75/26/327037526.db2.gz OSIPYXNDLHHTQI-OAHLLOKOSA-N 0 3 350.419 2.478 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163809587 327059441 /nfs/dbraw/zinc/05/94/41/327059441.db2.gz AXXLFYUBXZLUJT-MRXNPFEDSA-N 0 3 369.487 2.273 20 5 FEBDHN Cc1cc(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000164813612 327074466 /nfs/dbraw/zinc/07/44/66/327074466.db2.gz ICYAHVXZNFZFKR-QGZVFWFLSA-N 0 3 373.409 2.457 20 5 FEBDHN Cn1cc(CNCCN2CCOCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170874399 327104411 /nfs/dbraw/zinc/10/44/11/327104411.db2.gz UJORNUGFVIGOIE-UHFFFAOYSA-N 0 3 373.457 2.196 20 5 FEBDHN C[C@H](CN1CCCC1=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171050849 327114435 /nfs/dbraw/zinc/11/44/35/327114435.db2.gz INRMYENOSFPOID-CYBMUJFWSA-N 0 3 357.414 2.096 20 5 FEBDHN CCc1n[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171367279 327135043 /nfs/dbraw/zinc/13/50/43/327135043.db2.gz CITHRDUBUKAMGX-UHFFFAOYSA-N 0 3 357.414 2.275 20 5 FEBDHN CCN1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171979437 327174087 /nfs/dbraw/zinc/17/40/87/327174087.db2.gz ZLTHVSFOVBMIOA-UHFFFAOYSA-N 0 3 362.455 2.177 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173022034 327230849 /nfs/dbraw/zinc/23/08/49/327230849.db2.gz IQXOIIARALEKDI-JTQLQIEISA-N 0 3 359.835 2.011 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173022034 327230851 /nfs/dbraw/zinc/23/08/51/327230851.db2.gz IQXOIIARALEKDI-JTQLQIEISA-N 0 3 359.835 2.011 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000173239843 327243388 /nfs/dbraw/zinc/24/33/88/327243388.db2.gz ZNJPWGVKOZQXKQ-SWLSCSKDSA-N 0 3 355.460 2.118 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000173260654 327244822 /nfs/dbraw/zinc/24/48/22/327244822.db2.gz IQGROOFXCAQVST-OCCSQVGLSA-N 0 3 355.460 2.254 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000173474887 327259994 /nfs/dbraw/zinc/25/99/94/327259994.db2.gz FYZROLDOGDUHQQ-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173991899 327300112 /nfs/dbraw/zinc/30/01/12/327300112.db2.gz SVFCLYFAMAKCIS-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174370523 327322639 /nfs/dbraw/zinc/32/26/39/327322639.db2.gz KSSHPORYZQSPKQ-KRWDZBQOSA-N 0 3 361.446 2.229 20 5 FEBDHN C[C@@](CO)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000174792526 327351473 /nfs/dbraw/zinc/35/14/73/327351473.db2.gz YYGZXLPMGCWHEW-IBGZPJMESA-N 0 3 361.442 2.405 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000175083327 327372860 /nfs/dbraw/zinc/37/28/60/327372860.db2.gz YAGIOJZLTGTQAT-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1c1ccccc1 ZINC000262203600 328850802 /nfs/dbraw/zinc/85/08/02/328850802.db2.gz KRMTVTYWDGNGDP-GOEBONIOSA-N 0 3 359.357 2.066 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000264595488 329039092 /nfs/dbraw/zinc/03/90/92/329039092.db2.gz WUXGJWXTRIGVAJ-CYBMUJFWSA-N 0 3 363.414 2.312 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1C ZINC000264769050 329058564 /nfs/dbraw/zinc/05/85/64/329058564.db2.gz QMMJJJFIIGBDMH-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920795 329172825 /nfs/dbraw/zinc/17/28/25/329172825.db2.gz BPTZWJQAQQGNPF-LBPRGKRZSA-N 0 3 351.403 2.074 20 5 FEBDHN COc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1OC ZINC000265975384 329178381 /nfs/dbraw/zinc/17/83/81/329178381.db2.gz XDBOBNNBGBFPPK-CYBMUJFWSA-N 0 3 353.419 2.318 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000266292175 329208592 /nfs/dbraw/zinc/20/85/92/329208592.db2.gz IPJFUMHXNQHTPB-NSHDSACASA-N 0 3 361.320 2.016 20 5 FEBDHN C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864745 329267151 /nfs/dbraw/zinc/26/71/51/329267151.db2.gz LXMMODGKLJRKJC-DOMZBBRYSA-N 0 3 360.366 2.414 20 5 FEBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267063009 329287762 /nfs/dbraw/zinc/28/77/62/329287762.db2.gz JCQDMKPGHXKPEC-QWHCGFSZSA-N 0 3 353.423 2.026 20 5 FEBDHN CNC(=O)c1ccc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912097 329367767 /nfs/dbraw/zinc/36/77/67/329367767.db2.gz GHMMLNFOJFFKMC-ZIAGYGMSSA-N 0 3 364.446 2.256 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178574 329393842 /nfs/dbraw/zinc/39/38/42/329393842.db2.gz KYGINXLRIXOSDC-CZUORRHYSA-N 0 3 358.442 2.408 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269416724 329517640 /nfs/dbraw/zinc/51/76/40/329517640.db2.gz YHIJBAZZZMOUHA-UHFFFAOYSA-N 0 3 356.810 2.330 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CCCO)c2ccccc2)c1 ZINC000271760356 329722889 /nfs/dbraw/zinc/72/28/89/329722889.db2.gz HOJSYERXHWDMJA-MJGOQNOKSA-N 0 3 360.410 2.438 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458550 329866418 /nfs/dbraw/zinc/86/64/18/329866418.db2.gz QDEUPOFBJVEGTN-HUUCEWRRSA-N 0 3 356.444 2.162 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000186766772 518140209 /nfs/dbraw/zinc/14/02/09/518140209.db2.gz KUGDGJGVENFPPU-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN CCN1CCN([C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671156 545556459 /nfs/dbraw/zinc/55/64/59/545556459.db2.gz FRMQGGHWGLYKGV-HNNXBMFYSA-N 0 3 352.866 2.460 20 5 FEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CCN(CCOC)CC1 ZINC000156532174 545633654 /nfs/dbraw/zinc/63/36/54/545633654.db2.gz NSOVEKHCPCXCKC-UHFFFAOYSA-N 0 3 369.393 2.433 20 5 FEBDHN CCOCCO[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157633126 545763187 /nfs/dbraw/zinc/76/31/87/545763187.db2.gz XHFNZNJHLWBFHF-HNNXBMFYSA-N 0 3 365.430 2.359 20 5 FEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCN1C(=O)c2ccccc2C1=O ZINC000158909578 545904752 /nfs/dbraw/zinc/90/47/52/545904752.db2.gz VVIICFRPDSNFEP-UHFFFAOYSA-N 0 3 353.378 2.365 20 5 FEBDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217245 546572072 /nfs/dbraw/zinc/57/20/72/546572072.db2.gz XPSXTWCAXCLLHS-JOYOIKCWSA-N 0 3 362.386 2.475 20 5 FEBDHN COc1cnccc1N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000481069390 561224282 /nfs/dbraw/zinc/22/42/82/561224282.db2.gz JOJTUAVGYWGIFH-UHFFFAOYSA-N 0 3 366.381 2.268 20 5 FEBDHN C[C@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980285 546882717 /nfs/dbraw/zinc/88/27/17/546882717.db2.gz FGVTXJQSQCRVFV-IINYFYTJSA-N 0 3 361.851 2.434 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181919450 547405412 /nfs/dbraw/zinc/40/54/12/547405412.db2.gz LDQFDIKEAFYLJX-HNNXBMFYSA-N 0 3 369.487 2.175 20 5 FEBDHN C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000182218277 547455909 /nfs/dbraw/zinc/45/59/09/547455909.db2.gz JUQJNNLSBQFNIE-ZOBUZTSGSA-N 0 3 360.414 2.114 20 5 FEBDHN CCN(CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249701 547461670 /nfs/dbraw/zinc/46/16/70/547461670.db2.gz AMYOTCOARAXVEL-CYBMUJFWSA-N 0 3 351.428 2.356 20 5 FEBDHN CC[C@H](CO)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000182694682 547536121 /nfs/dbraw/zinc/53/61/21/547536121.db2.gz XZOKOUAFGBHOQJ-SNVBAGLBSA-N 0 3 352.309 2.405 20 5 FEBDHN CCN(CC)CC(=O)N1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182746229 547545286 /nfs/dbraw/zinc/54/52/86/547545286.db2.gz XDYUUJRITHKEBE-MRXNPFEDSA-N 0 3 362.474 2.450 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000184192040 547784401 /nfs/dbraw/zinc/78/44/01/547784401.db2.gz IEIDEPSRASAIQT-UHFFFAOYSA-N 0 3 373.457 2.222 20 5 FEBDHN COc1cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184250537 547794417 /nfs/dbraw/zinc/79/44/17/547794417.db2.gz UTCBQRSRXZZNKH-ZDUSSCGKSA-N 0 3 367.421 2.428 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000184350442 547811465 /nfs/dbraw/zinc/81/14/65/547811465.db2.gz YUHMHJSEDGIXDT-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1OCCN(C)C ZINC000194418860 548478790 /nfs/dbraw/zinc/47/87/90/548478790.db2.gz XCVAHWHTVYXGGJ-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CC[C@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000237058509 548796916 /nfs/dbraw/zinc/79/69/16/548796916.db2.gz FSYUMXIUUJTXDL-KBPBESRZSA-N 0 3 355.460 2.432 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C(C)C)C1 ZINC000487998461 561380762 /nfs/dbraw/zinc/38/07/62/561380762.db2.gz HSHLIKAWVOSXBF-MRXNPFEDSA-N 0 3 364.446 2.204 20 5 FEBDHN COC(=O)c1cc(C)nc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488734727 561395562 /nfs/dbraw/zinc/39/55/62/561395562.db2.gz RPLHDSSHMGKVJI-LALPHHSUSA-N 0 3 362.430 2.251 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000246992916 549258936 /nfs/dbraw/zinc/25/89/36/549258936.db2.gz KHYTWMHOSQBGKA-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000248554634 549456481 /nfs/dbraw/zinc/45/64/81/549456481.db2.gz AZCRCCRGLNDHJU-FFSVYQOJSA-N 0 3 351.403 2.478 20 5 FEBDHN CCOC(=O)c1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249070307 549546031 /nfs/dbraw/zinc/54/60/31/549546031.db2.gz KVLOFFJEWHSUJO-ZDUSSCGKSA-N 0 3 365.430 2.053 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000250670464 549643915 /nfs/dbraw/zinc/64/39/15/549643915.db2.gz WWFABPZQJZYPJZ-QZTJIDSGSA-N 0 3 352.431 2.362 20 5 FEBDHN C[C@@H](N)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000261703920 549744928 /nfs/dbraw/zinc/74/49/28/549744928.db2.gz CWRIFHOGROPSAK-CYBMUJFWSA-N 0 3 374.466 2.315 20 5 FEBDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000490437272 561433106 /nfs/dbraw/zinc/43/31/06/561433106.db2.gz IBVYQAPBCVSIAN-CQSZACIVSA-N 0 3 367.471 2.231 20 5 FEBDHN Cc1[nH]nc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264185860 549989229 /nfs/dbraw/zinc/98/92/29/549989229.db2.gz MKHYVPPOXDKTGP-UHFFFAOYSA-N 0 3 358.402 2.385 20 5 FEBDHN Cn1cc(CN2CCC(CCC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271161519 550347171 /nfs/dbraw/zinc/34/71/71/550347171.db2.gz AVIVNCVMFBTYNN-UHFFFAOYSA-N 0 3 371.441 2.473 20 5 FEBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538941 550456677 /nfs/dbraw/zinc/45/66/77/550456677.db2.gz RONGCKMOZDWFHZ-STQMWFEESA-N 0 3 353.423 2.026 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000276920139 550611120 /nfs/dbraw/zinc/61/11/20/550611120.db2.gz HACKKBKYXKOUBF-GDBMZVCRSA-N 0 3 351.403 2.479 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCCCN1C1CC1 ZINC000277480078 550675918 /nfs/dbraw/zinc/67/59/18/550675918.db2.gz IQGGKJNNIAHKEL-CYBMUJFWSA-N 0 3 351.378 2.246 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277629724 550694323 /nfs/dbraw/zinc/69/43/23/550694323.db2.gz JHBAYJUEDVHQTC-HNNXBMFYSA-N 0 3 364.446 2.237 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278731771 550815991 /nfs/dbraw/zinc/81/59/91/550815991.db2.gz WHLBSTGOQCREJM-ZDUSSCGKSA-N 0 3 369.849 2.408 20 5 FEBDHN C[C@@H](CN1CCOCC1)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000279388383 550884566 /nfs/dbraw/zinc/88/45/66/550884566.db2.gz KAIJFBAPNLFVMV-HNNXBMFYSA-N 0 3 373.457 2.148 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280943234 551048149 /nfs/dbraw/zinc/04/81/49/551048149.db2.gz IBDCGLLHXRUYNE-IEBWSBKVSA-N 0 3 373.409 2.021 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280949415 551048639 /nfs/dbraw/zinc/04/86/39/551048639.db2.gz MHDCOCLHPGLRJB-UHFFFAOYSA-N 0 3 372.425 2.307 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281523801 551108927 /nfs/dbraw/zinc/10/89/27/551108927.db2.gz VSMVKFTZZQQFHR-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000281732649 551136653 /nfs/dbraw/zinc/13/66/53/551136653.db2.gz XQCXTXIRADTCRZ-QGZVFWFLSA-N 0 3 367.471 2.226 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCOC)CC1 ZINC000282074858 551177066 /nfs/dbraw/zinc/17/70/66/551177066.db2.gz XAKIRAFMVVGDOM-UHFFFAOYSA-N 0 3 366.418 2.226 20 5 FEBDHN O=C(CN[C@H]1CCCC12CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282173638 551190242 /nfs/dbraw/zinc/19/02/42/551190242.db2.gz VHTNJCZEUSLZKC-KRWDZBQOSA-N 0 3 359.426 2.423 20 5 FEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000282478883 551234610 /nfs/dbraw/zinc/23/46/10/551234610.db2.gz LMGJGIHEKZZXJK-GOSISDBHSA-N 0 3 361.442 2.239 20 5 FEBDHN COCC[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746350 551265864 /nfs/dbraw/zinc/26/58/64/551265864.db2.gz NLWFKIVPSBWRAQ-XJKSGUPXSA-N 0 3 356.444 2.163 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)n1 ZINC000282748143 551266251 /nfs/dbraw/zinc/26/62/51/551266251.db2.gz NQINGBAIDWLYOE-MRXNPFEDSA-N 0 3 350.806 2.436 20 5 FEBDHN CN1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271749 551512462 /nfs/dbraw/zinc/51/24/62/551512462.db2.gz MUXWWSDOZLCLJW-WMZOPIPTSA-N 0 3 354.410 2.229 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000284668950 551603791 /nfs/dbraw/zinc/60/37/91/551603791.db2.gz WKPWQDDOFJEPEE-CRAIPNDOSA-N 0 3 357.414 2.088 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499690393 561556261 /nfs/dbraw/zinc/55/62/61/561556261.db2.gz IDFAUBRZVVWAIS-OAHLLOKOSA-N 0 3 363.414 2.376 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000288864688 552227178 /nfs/dbraw/zinc/22/71/78/552227178.db2.gz LHQKZELLPZDGSY-IAGOWNOFSA-N 0 3 373.457 2.415 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCC[C@H]2O)c1 ZINC000289515759 552333689 /nfs/dbraw/zinc/33/36/89/552333689.db2.gz NKTKSQCHPSRZEO-VXGBXAGGSA-N 0 3 362.167 2.202 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289677959 552360615 /nfs/dbraw/zinc/36/06/15/552360615.db2.gz WWNBNONODYEPSO-OAHLLOKOSA-N 0 3 351.403 2.073 20 5 FEBDHN CC(C)(CO)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000289751964 552372410 /nfs/dbraw/zinc/37/24/10/552372410.db2.gz LFDNOSLTYXKMGV-HNNXBMFYSA-N 0 3 351.428 2.167 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNC2CCOCC2)c1 ZINC000289823369 552384277 /nfs/dbraw/zinc/38/42/77/552384277.db2.gz JJHVVVHEHACACF-UHFFFAOYSA-N 0 3 362.167 2.468 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000290407439 552474403 /nfs/dbraw/zinc/47/44/03/552474403.db2.gz GAMQYQICKDZHDW-SUMWQHHRSA-N 0 3 374.441 2.181 20 5 FEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCCNC2=O)cc1 ZINC000291369721 552619466 /nfs/dbraw/zinc/61/94/66/552619466.db2.gz ZVLGWNYCZWADND-CYBMUJFWSA-N 0 3 358.402 2.062 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)C1 ZINC000294113690 552882791 /nfs/dbraw/zinc/88/27/91/552882791.db2.gz LJKHWUWFGGRYJG-LJQANCHMSA-N 0 3 369.425 2.338 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295016115 552951453 /nfs/dbraw/zinc/95/14/53/552951453.db2.gz PXCZBJINCKLQCD-CYBMUJFWSA-N 0 3 368.865 2.312 20 5 FEBDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296077888 553101112 /nfs/dbraw/zinc/10/11/12/553101112.db2.gz OYXDXUVIFVBYEG-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298047557 553376877 /nfs/dbraw/zinc/37/68/77/553376877.db2.gz HMKAAMBDZWMUEY-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)Cc1ccccc1 ZINC000298061843 553378776 /nfs/dbraw/zinc/37/87/76/553378776.db2.gz IUGJQBYOVMSYCO-UHFFFAOYSA-N 0 3 373.409 2.427 20 5 FEBDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1 ZINC000298627413 553451094 /nfs/dbraw/zinc/45/10/94/553451094.db2.gz OBTAUABMCMUEGA-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000299130970 553519454 /nfs/dbraw/zinc/51/94/54/553519454.db2.gz NOPZYRVDQGRXFP-QGZVFWFLSA-N 0 3 357.414 2.135 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)ccc1[N+](=O)[O-] ZINC000299225135 553533029 /nfs/dbraw/zinc/53/30/29/553533029.db2.gz IYDUUHCDWMYKOK-CVEARBPZSA-N 0 3 374.441 2.315 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000299300431 553544734 /nfs/dbraw/zinc/54/47/34/553544734.db2.gz NRMSEKZJHJGVOH-QGZVFWFLSA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000299379167 553555402 /nfs/dbraw/zinc/55/54/02/553555402.db2.gz PFGXUWNGPUNFHH-CQSZACIVSA-N 0 3 353.444 2.152 20 5 FEBDHN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCc2ccccc2C1 ZINC000301105917 553622430 /nfs/dbraw/zinc/62/24/30/553622430.db2.gz NFSFDUAVKCDCLV-OAHLLOKOSA-N 0 3 356.430 2.462 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000507493207 561730806 /nfs/dbraw/zinc/73/08/06/561730806.db2.gz HBMHOKFQUURJCC-CABCVRRESA-N 0 3 367.471 2.432 20 5 FEBDHN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000509023507 561781863 /nfs/dbraw/zinc/78/18/63/561781863.db2.gz WLKOOVNHWWHJRS-ACJLOTCBSA-N 0 3 368.428 2.331 20 5 FEBDHN COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000331906524 554344031 /nfs/dbraw/zinc/34/40/31/554344031.db2.gz KFBGKXSFOLFAFK-HDMKZQKVSA-N 0 3 350.415 2.355 20 5 FEBDHN CC1(C)C[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021950 554365281 /nfs/dbraw/zinc/36/52/81/554365281.db2.gz RCCSOYLWEISQLW-MLGOLLRUSA-N 0 3 367.471 2.331 20 5 FEBDHN Cc1cc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081027 554375695 /nfs/dbraw/zinc/37/56/95/554375695.db2.gz LAVNPDNHABXLIH-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000360682341 554885321 /nfs/dbraw/zinc/88/53/21/554885321.db2.gz UEPTWHCREZNYGV-CABCVRRESA-N 0 3 355.398 2.197 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853514 554893131 /nfs/dbraw/zinc/89/31/31/554893131.db2.gz YBZJFZAGLISLML-NVXWUHKLSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000361503832 554922134 /nfs/dbraw/zinc/92/21/34/554922134.db2.gz PYYZDMYATWKMCJ-XYPHTWIQSA-N 0 3 374.441 2.350 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](n2cnc3ccccc32)C1 ZINC000362709309 554982961 /nfs/dbraw/zinc/98/29/61/554982961.db2.gz DQFKXYVVHLQZKI-HNNXBMFYSA-N 0 3 367.409 2.443 20 5 FEBDHN COc1cc(OCC(=O)N2CCCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000362739341 554985956 /nfs/dbraw/zinc/98/59/56/554985956.db2.gz ZPBQSJUVJYMUKY-UHFFFAOYSA-N 0 3 365.430 2.173 20 5 FEBDHN O=C(CCN1CCC(NC(=O)C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363193336 555050672 /nfs/dbraw/zinc/05/06/72/555050672.db2.gz VHICTWZRAWVMNQ-UHFFFAOYSA-N 0 3 374.441 2.304 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424213 555102236 /nfs/dbraw/zinc/10/22/36/555102236.db2.gz PMQNMCSCHPMJJJ-IFIJOSMWSA-N 0 3 365.405 2.353 20 5 FEBDHN O=C1Nc2ccccc2[C@@]12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451235 555316766 /nfs/dbraw/zinc/31/67/66/555316766.db2.gz XMDLDGNAIYCKNU-MJGOQNOKSA-N 0 3 353.378 2.224 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc2O1 ZINC000364897941 555430123 /nfs/dbraw/zinc/43/01/23/555430123.db2.gz UZTAKGDWYZRRSL-CYBMUJFWSA-N 0 3 356.382 2.146 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365026520 555467897 /nfs/dbraw/zinc/46/78/97/555467897.db2.gz LDGHKWSZIXAPMD-INIZCTEOSA-N 0 3 369.425 2.062 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367437472 556048442 /nfs/dbraw/zinc/04/84/42/556048442.db2.gz WNMUGOGPAWJRGI-KDOFPFPSSA-N 0 3 360.458 2.260 20 5 FEBDHN CC[C@H](C)Oc1cc(C)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856335 561983551 /nfs/dbraw/zinc/98/35/51/561983551.db2.gz XVPFQXOXUQBASB-YOEHRIQHSA-N 0 3 362.430 2.428 20 5 FEBDHN CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000368407335 556299351 /nfs/dbraw/zinc/29/93/51/556299351.db2.gz NGWSRLLVDRWETO-RDJZCZTQSA-N 0 3 363.462 2.465 20 5 FEBDHN Cn1cc([C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552348 562014998 /nfs/dbraw/zinc/01/49/98/562014998.db2.gz DUCBJDJLQSRJFT-JKSUJKDBSA-N 0 3 374.441 2.194 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000368964546 556461072 /nfs/dbraw/zinc/46/10/72/556461072.db2.gz GLXMHBGNIQKJER-NVXWUHKLSA-N 0 3 363.458 2.079 20 5 FEBDHN C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@@H](C)O1 ZINC000515816624 562022687 /nfs/dbraw/zinc/02/26/87/562022687.db2.gz FLBLQLRNKOHPGR-ZIAGYGMSSA-N 0 3 372.425 2.462 20 5 FEBDHN CN1CCC[C@@H](N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358662 556579169 /nfs/dbraw/zinc/57/91/69/556579169.db2.gz MTQAHQPKPQNYDJ-GOSISDBHSA-N 0 3 362.474 2.076 20 5 FEBDHN CN1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000369573316 556635005 /nfs/dbraw/zinc/63/50/05/556635005.db2.gz KPLTURRCWDJFQX-LRDDRELGSA-N 0 3 363.443 2.052 20 5 FEBDHN COC(=O)[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000370446646 556875795 /nfs/dbraw/zinc/87/57/95/556875795.db2.gz GCFRXZYUNBIFCY-LBPRGKRZSA-N 0 3 367.377 2.194 20 5 FEBDHN Cc1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359450 557160423 /nfs/dbraw/zinc/16/04/23/557160423.db2.gz JOSJATRYUYWBKD-WBVHZDCISA-N 0 3 360.458 2.001 20 5 FEBDHN C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784302 557292394 /nfs/dbraw/zinc/29/23/94/557292394.db2.gz RGJKKDGUWXTOKY-IUODEOHRSA-N 0 3 365.405 2.207 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518853614 562119839 /nfs/dbraw/zinc/11/98/39/562119839.db2.gz UYCWTMLXXUSWFS-XQQFMLRXSA-N 0 3 363.414 2.420 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372558196 557505022 /nfs/dbraw/zinc/50/50/22/557505022.db2.gz RQNVDKCQAKWKTL-UHFFFAOYSA-N 0 3 355.822 2.167 20 5 FEBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc21 ZINC000373227656 557653932 /nfs/dbraw/zinc/65/39/32/557653932.db2.gz GKBUEDNLBPVNGF-UHFFFAOYSA-N 0 3 369.425 2.408 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000520639043 562160744 /nfs/dbraw/zinc/16/07/44/562160744.db2.gz QYDSAEWLEOOWQV-UHFFFAOYSA-N 0 3 355.398 2.302 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000374439206 557884320 /nfs/dbraw/zinc/88/43/20/557884320.db2.gz JQTOTHWYDVLEPX-JKSUJKDBSA-N 0 3 356.338 2.070 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(c2ccncc2)CC1 ZINC000374762001 557927072 /nfs/dbraw/zinc/92/70/72/557927072.db2.gz CMRRPCYTNWMXNF-UHFFFAOYSA-N 0 3 373.388 2.452 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000374763795 557927453 /nfs/dbraw/zinc/92/74/53/557927453.db2.gz QFTOTLAIPGHRFN-UOIKSKOESA-N 0 3 370.384 2.176 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375038735 557968100 /nfs/dbraw/zinc/96/81/00/557968100.db2.gz LVOPSONJDKXPAF-XHDPSFHLSA-N 0 3 352.822 2.213 20 5 FEBDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000521336072 562174527 /nfs/dbraw/zinc/17/45/27/562174527.db2.gz WKGUYJLFYFTJGI-ZDUSSCGKSA-N 0 3 370.837 2.463 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1C ZINC000408061672 558642171 /nfs/dbraw/zinc/64/21/71/558642171.db2.gz LJAQDDOLCCSSBW-GJZGRUSLSA-N 0 3 353.444 2.117 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000408371943 558671613 /nfs/dbraw/zinc/67/16/13/558671613.db2.gz GODUSSWQSKTECD-GDBMZVCRSA-N 0 3 367.471 2.262 20 5 FEBDHN CC[C@@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687602 562252233 /nfs/dbraw/zinc/25/22/33/562252233.db2.gz BXCHEBQVQFYJHV-CYBMUJFWSA-N 0 3 370.475 2.169 20 5 FEBDHN CC[C@@H]1CCC[N@H+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687602 562252234 /nfs/dbraw/zinc/25/22/34/562252234.db2.gz BXCHEBQVQFYJHV-CYBMUJFWSA-N 0 3 370.475 2.169 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965594 558996459 /nfs/dbraw/zinc/99/64/59/558996459.db2.gz ANMRDNMCISRPDY-SJORKVTESA-N 0 3 355.394 2.304 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1N(C)C ZINC000412218620 559020846 /nfs/dbraw/zinc/02/08/46/559020846.db2.gz RXVOKCSCBGCUKI-HOCLYGCPSA-N 0 3 367.471 2.500 20 5 FEBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414479917 559167928 /nfs/dbraw/zinc/16/79/28/559167928.db2.gz ADCZFQRUOKFUIG-AWEZNQCLSA-N 0 3 373.409 2.391 20 5 FEBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414484825 559168176 /nfs/dbraw/zinc/16/81/76/559168176.db2.gz HFNGJSBPLOWHDQ-HNNXBMFYSA-N 0 3 373.409 2.391 20 5 FEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953359 559196937 /nfs/dbraw/zinc/19/69/37/559196937.db2.gz RLVJZLUJNQELKH-GZMMTYOYSA-N 0 3 374.344 2.431 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)c1C ZINC000416428328 559312293 /nfs/dbraw/zinc/31/22/93/559312293.db2.gz UCIGBQCKOOJIOB-CQSZACIVSA-N 0 3 361.423 2.290 20 5 FEBDHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303292 559356719 /nfs/dbraw/zinc/35/67/19/559356719.db2.gz AFUBBLQRRNYRJO-NVXWUHKLSA-N 0 3 367.471 2.376 20 5 FEBDHN O=C(N[C@@H]1CNCCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775896 559415394 /nfs/dbraw/zinc/41/53/94/559415394.db2.gz WNLVKHCQCPFXJJ-CQSZACIVSA-N 0 3 354.357 2.266 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000420409760 559486245 /nfs/dbraw/zinc/48/62/45/559486245.db2.gz QTQCGPPALNVSMC-QGZVFWFLSA-N 0 3 370.409 2.188 20 5 FEBDHN CN(C(=O)CN1CCNC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000420410891 559486341 /nfs/dbraw/zinc/48/63/41/559486341.db2.gz RMSUCKBWHNUNMM-SFHVURJKSA-N 0 3 354.410 2.204 20 5 FEBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420446196 559487797 /nfs/dbraw/zinc/48/77/97/559487797.db2.gz SXRCHULFLHOUCB-MRVPVSSYSA-N 0 3 355.338 2.019 20 5 FEBDHN COC1([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421032180 559521041 /nfs/dbraw/zinc/52/10/41/559521041.db2.gz LHEXUHOIJGWBFT-CYBMUJFWSA-N 0 3 351.403 2.015 20 5 FEBDHN COC1([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCOCC1 ZINC000421039014 559521434 /nfs/dbraw/zinc/52/14/34/559521434.db2.gz VBABEUQHHVVQTK-GFCCVEGCSA-N 0 3 352.387 2.135 20 5 FEBDHN O=C(NC[C@H]1CNCCO1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000423994456 559649799 /nfs/dbraw/zinc/64/97/99/559649799.db2.gz SREWKWXERFTTHW-OAHLLOKOSA-N 0 3 356.382 2.057 20 5 FEBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429630 559701980 /nfs/dbraw/zinc/70/19/80/559701980.db2.gz AFABFWSCUYGBQZ-RYUDHWBXSA-N 0 3 356.220 2.491 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@H]1C(C)C ZINC000425478827 559704500 /nfs/dbraw/zinc/70/45/00/559704500.db2.gz NESYJJKXRBTIEW-INIZCTEOSA-N 0 3 364.446 2.204 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000425479552 559704540 /nfs/dbraw/zinc/70/45/40/559704540.db2.gz PXIYJSWYJQFLCU-WCQYABFASA-N 0 3 359.220 2.234 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988668 559787508 /nfs/dbraw/zinc/78/75/08/559787508.db2.gz AKLUWSOZYNPPCB-VCBZYWHSSA-N 0 3 372.469 2.146 20 5 FEBDHN O=C1[C@@H](N[C@@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226496 559793191 /nfs/dbraw/zinc/79/31/91/559793191.db2.gz KUHYNZYOHGYBOC-DYVFJYSZSA-N 0 3 353.378 2.163 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180029 559853573 /nfs/dbraw/zinc/85/35/73/559853573.db2.gz TXRJDOXHQGUFOZ-UKRRQHHQSA-N 0 3 372.425 2.320 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000433749534 559887304 /nfs/dbraw/zinc/88/73/04/559887304.db2.gz WFMTVBPHZTYIIR-UHFFFAOYSA-N 0 3 360.418 2.040 20 5 FEBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000433749534 559887305 /nfs/dbraw/zinc/88/73/05/559887305.db2.gz WFMTVBPHZTYIIR-UHFFFAOYSA-N 0 3 360.418 2.040 20 5 FEBDHN CN(CC(=O)N1CCNCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435388625 559922039 /nfs/dbraw/zinc/92/20/39/559922039.db2.gz HWXNAUNQQPOXKG-UHFFFAOYSA-N 0 3 374.466 2.187 20 5 FEBDHN CCOC(=O)[C@]1(COC)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000439478802 559995038 /nfs/dbraw/zinc/99/50/38/559995038.db2.gz ODNAYIWWPPMOLI-GOSISDBHSA-N 0 3 350.415 2.429 20 5 FEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCO[C@@H]21 ZINC000439623480 559998197 /nfs/dbraw/zinc/99/81/97/559998197.db2.gz RJNHZSLTRGSELI-VQHPVUNQSA-N 0 3 359.426 2.493 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000440516864 560013296 /nfs/dbraw/zinc/01/32/96/560013296.db2.gz RTNXSHVHXMDKIE-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000448259692 560182249 /nfs/dbraw/zinc/18/22/49/560182249.db2.gz GGGNCHWQTOKDSW-OAHLLOKOSA-N 0 3 374.445 2.391 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448932454 560207495 /nfs/dbraw/zinc/20/74/95/560207495.db2.gz JATISFMYBVLPCZ-GFCCVEGCSA-N 0 3 351.378 2.443 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCC1 ZINC000451003289 560281812 /nfs/dbraw/zinc/28/18/12/560281812.db2.gz DVLGESVHVJQNFX-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476448 560309302 /nfs/dbraw/zinc/30/93/02/560309302.db2.gz FUZWIVVTFHXFSG-JCURWCKSSA-N 0 3 363.414 2.335 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763678 560327317 /nfs/dbraw/zinc/32/73/17/560327317.db2.gz SXJGBOZAYJOHDX-GOEBONIOSA-N 0 3 369.425 2.479 20 5 FEBDHN CO[C@@H]1C[C@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826201 560331055 /nfs/dbraw/zinc/33/10/55/560331055.db2.gz FENYPTNHAAPOGG-BHYGNILZSA-N 0 3 350.415 2.224 20 5 FEBDHN COC[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452036256 560346990 /nfs/dbraw/zinc/34/69/90/560346990.db2.gz IMCBOZKSHTUOKQ-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000454530226 560448337 /nfs/dbraw/zinc/44/83/37/560448337.db2.gz XNBSGIHVGOCDBP-SKDRFNHKSA-N 0 3 356.329 2.364 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000454890332 560462424 /nfs/dbraw/zinc/46/24/24/560462424.db2.gz MQQWGIDGGFFDOX-RISCZKNCSA-N 0 3 372.347 2.459 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000456326724 560515590 /nfs/dbraw/zinc/51/55/90/560515590.db2.gz GRVLQDQMMOTMLI-MRXNPFEDSA-N 0 3 371.441 2.162 20 5 FEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457047760 560545700 /nfs/dbraw/zinc/54/57/00/560545700.db2.gz ICEVRULPABDZKI-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459659511 560700409 /nfs/dbraw/zinc/70/04/09/560700409.db2.gz KJLUVNXXMDYWBK-GFCCVEGCSA-N 0 3 362.352 2.472 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750872 560706236 /nfs/dbraw/zinc/70/62/36/560706236.db2.gz HSGUCAKBYGOPTQ-JKSUJKDBSA-N 0 3 363.414 2.479 20 5 FEBDHN CSC1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN(C)CC1 ZINC000460978690 560757916 /nfs/dbraw/zinc/75/79/16/560757916.db2.gz PMUZPKSANCXTDR-UHFFFAOYSA-N 0 3 363.443 2.028 20 5 FEBDHN COC(=O)c1cc(C)nc(N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000461951380 560789411 /nfs/dbraw/zinc/78/94/11/560789411.db2.gz XCGJYYUDBUWSHW-UHFFFAOYSA-N 0 3 350.419 2.395 20 5 FEBDHN COc1cc(CNCCc2cn3c(n2)SCC3)c([N+](=O)[O-])cc1OC ZINC000466471315 560887724 /nfs/dbraw/zinc/88/77/24/560887724.db2.gz CAXHNBDYCWBWRC-UHFFFAOYSA-N 0 3 364.427 2.247 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1CNc1ccccc1CN1CCC(CO)CC1 ZINC000470555263 560984538 /nfs/dbraw/zinc/98/45/38/560984538.db2.gz FSVYIXAZEIRICI-UHFFFAOYSA-N 0 3 359.430 2.145 20 5 FEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccccc2OCCO)n1 ZINC000472620038 561031211 /nfs/dbraw/zinc/03/12/11/561031211.db2.gz GXEWEVOLHTYVKI-JKSUJKDBSA-N 0 3 360.414 2.436 20 5 FEBDHN COC(=O)COc1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016475 561063582 /nfs/dbraw/zinc/06/35/82/561063582.db2.gz YHSIUYYXBIQNTB-QZTJIDSGSA-N 0 3 364.398 2.194 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016476 561063667 /nfs/dbraw/zinc/06/36/67/561063667.db2.gz YHSIUYYXBIQNTB-ROUUACIJSA-N 0 3 364.398 2.194 20 5 FEBDHN CCOC[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926812 561085619 /nfs/dbraw/zinc/08/56/19/561085619.db2.gz BXUDEVMOGZBBFJ-BBRMVZONSA-N 0 3 356.444 2.163 20 5 FEBDHN CN(C)CCOc1ccccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476182356 561112540 /nfs/dbraw/zinc/11/25/40/561112540.db2.gz POLBJLPFDTYSPE-UHFFFAOYSA-N 0 3 370.409 2.129 20 5 FEBDHN COc1cc(CCNC(=O)CN2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291432 562441002 /nfs/dbraw/zinc/44/10/02/562441002.db2.gz XRPWUTUXBLSYPR-CHWSQXEVSA-N 0 3 365.430 2.144 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c1 ZINC000541819135 562620471 /nfs/dbraw/zinc/62/04/71/562620471.db2.gz MHKXRLLMMRGVQZ-CYBMUJFWSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1c(CNC[C@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000568620896 568099712 /nfs/dbraw/zinc/09/97/12/568099712.db2.gz QYLJBSTXJPADSG-AWEZNQCLSA-N 0 3 360.366 2.161 20 5 FEBDHN Cc1cc(OCC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395283 568400483 /nfs/dbraw/zinc/40/04/83/568400483.db2.gz OKMDDMRGNYRCCM-DHSIGJKJSA-N 0 3 361.442 2.471 20 5 FEBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736758771 598499444 /nfs/dbraw/zinc/49/94/44/598499444.db2.gz HZTPMTFMFNHLHF-CQSZACIVSA-N 0 3 360.422 2.092 20 5 FEBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736758771 598499446 /nfs/dbraw/zinc/49/94/46/598499446.db2.gz HZTPMTFMFNHLHF-CQSZACIVSA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000561750024 674695595 /nfs/dbraw/zinc/69/55/95/674695595.db2.gz NEFMEYHKOALFHT-CABCVRRESA-N 0 3 369.487 2.221 20 5 FEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Br)c1 ZINC000813113662 674721113 /nfs/dbraw/zinc/72/11/13/674721113.db2.gz SDRLKGCRQCMHKE-QMMMGPOBSA-N 0 3 369.175 2.160 20 5 FEBDHN CC(COC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[N+](=O)[O-] ZINC000813114281 674721397 /nfs/dbraw/zinc/72/13/97/674721397.db2.gz ORDGMCGWLHABJM-CYBMUJFWSA-N 0 3 350.371 2.244 20 5 FEBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000813105205 674720030 /nfs/dbraw/zinc/72/00/30/674720030.db2.gz KLHADBNPYGNTIJ-CABZTGNLSA-N 0 3 353.766 2.153 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047144458 670235125 /nfs/dbraw/zinc/23/51/25/670235125.db2.gz BHSQVGUGDDOJBT-LLVKDONJSA-N 0 3 350.375 2.416 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816945545 675089577 /nfs/dbraw/zinc/08/95/77/675089577.db2.gz JHEHUVOZTJFKOT-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000609564900 675926904 /nfs/dbraw/zinc/92/69/04/675926904.db2.gz MVPLAZZJHGUGRQ-UHFFFAOYSA-N 0 3 366.487 2.415 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609793312 675936343 /nfs/dbraw/zinc/93/63/43/675936343.db2.gz HDQQIVDNWXBMLE-HNNXBMFYSA-N 0 3 369.849 2.360 20 5 FEBDHN COC(=O)C[C@@H]1CCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610368489 675967994 /nfs/dbraw/zinc/96/79/94/675967994.db2.gz BURLATLWHWXKEZ-ZDUSSCGKSA-N 0 3 352.387 2.400 20 5 FEBDHN COC(=O)C[C@H]1CCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610368487 675968147 /nfs/dbraw/zinc/96/81/47/675968147.db2.gz BURLATLWHWXKEZ-CYBMUJFWSA-N 0 3 352.387 2.400 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590043745 672555132 /nfs/dbraw/zinc/55/51/32/672555132.db2.gz FLFNMYFYBYJWPG-WFASDCNBSA-N 0 3 358.423 2.494 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1SC ZINC000590445425 672583524 /nfs/dbraw/zinc/58/35/24/672583524.db2.gz LWHLAYJGNFOGCJ-GXFFZTMASA-N 0 3 351.428 2.101 20 5 FEBDHN COc1cc(CN[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519194 676042258 /nfs/dbraw/zinc/04/22/58/676042258.db2.gz CMRRQXQEXIVKEE-GFCCVEGCSA-N 0 3 359.373 2.431 20 5 FEBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066557 672871316 /nfs/dbraw/zinc/87/13/16/672871316.db2.gz NOYJIQAJPJWYMC-BLLLJJGKSA-N 0 3 364.833 2.467 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027708 673022218 /nfs/dbraw/zinc/02/22/18/673022218.db2.gz YPWOIYUAUNUGIT-CRAIPNDOSA-N 0 3 350.415 2.368 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340354 673227892 /nfs/dbraw/zinc/22/78/92/673227892.db2.gz RWXANEWXSAPIAI-KRWDZBQOSA-N 0 3 350.438 2.334 20 5 FEBDHN Nc1c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597104602 673448754 /nfs/dbraw/zinc/44/87/54/673448754.db2.gz RYRYIWYRZQXDCF-LLVKDONJSA-N 0 3 351.794 2.308 20 5 FEBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693057 673499764 /nfs/dbraw/zinc/49/97/64/673499764.db2.gz ADLSFRBSWQXUGP-HZPDHXFCSA-N 0 3 365.455 2.009 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543838862 673673644 /nfs/dbraw/zinc/67/36/44/673673644.db2.gz HGKQHBXVTASGLM-HNNXBMFYSA-N 0 3 351.403 2.073 20 5 FEBDHN CC(C)[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572779 673718550 /nfs/dbraw/zinc/71/85/50/673718550.db2.gz OJUGYTQXVQJGGL-CJNGLKHVSA-N 0 3 356.444 2.162 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)c(F)cc1[N+](=O)[O-] ZINC000601414946 673858540 /nfs/dbraw/zinc/85/85/40/673858540.db2.gz MYZPPOOTJLYHII-FUNVUKJBSA-N 0 3 371.434 2.288 20 5 FEBDHN Cc1noc(C)c1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819143709 675264280 /nfs/dbraw/zinc/26/42/80/675264280.db2.gz KUPYTMRFRFWBRP-UHFFFAOYSA-N 0 3 367.427 2.196 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000567774607 675321267 /nfs/dbraw/zinc/32/12/67/675321267.db2.gz OKZRRIFCYPVROZ-UHFFFAOYSA-N 0 3 355.460 2.264 20 5 FEBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000619487134 676380278 /nfs/dbraw/zinc/38/02/78/676380278.db2.gz DRZOKYPUWQYDNI-CYBMUJFWSA-N 0 3 371.459 2.098 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619486216 676380350 /nfs/dbraw/zinc/38/03/50/676380350.db2.gz ZJAQNNQNPCQSQZ-QWHCGFSZSA-N 0 3 371.459 2.097 20 5 FEBDHN CC(C)CCc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001020140439 680101172 /nfs/dbraw/zinc/10/11/72/680101172.db2.gz HOCZYEPQCVZJLV-QHSBEEBCSA-N 0 3 366.487 2.134 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186093 680564937 /nfs/dbraw/zinc/56/49/37/680564937.db2.gz NCQQYVOBJRKSGC-GFCCVEGCSA-N 0 3 350.375 2.366 20 5 FEBDHN C[C@@H](C[C@@H](O)c1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099168 680987520 /nfs/dbraw/zinc/98/75/20/680987520.db2.gz CJUTXSVDAJLWOV-SWLSCSKDSA-N 0 3 368.411 2.063 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770016891 681003080 /nfs/dbraw/zinc/00/30/80/681003080.db2.gz RHCVCKXGWVNVKM-LBPRGKRZSA-N 0 3 356.810 2.481 20 5 FEBDHN CC([C@@H](OC(=O)CC1(CS(C)(=O)=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881209 681158998 /nfs/dbraw/zinc/15/89/98/681158998.db2.gz ZKQAJINBVICTCA-XHDPSFHLSA-N 0 3 373.402 2.290 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917829217 685534856 /nfs/dbraw/zinc/53/48/56/685534856.db2.gz OZCIBMTWPBMYLK-CZUORRHYSA-N 0 3 350.419 2.066 20 5 FEBDHN C[C@@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC(=O)OC(C)(C)C ZINC000785863236 682332420 /nfs/dbraw/zinc/33/24/20/682332420.db2.gz TXQAUARUYFEHHA-LBPRGKRZSA-N 0 3 353.423 2.341 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791210652 682728740 /nfs/dbraw/zinc/72/87/40/682728740.db2.gz XPNABROGOOBFKF-LBPRGKRZSA-N 0 3 352.410 2.404 20 5 FEBDHN CN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1(C)C ZINC000861526419 683428028 /nfs/dbraw/zinc/42/80/28/683428028.db2.gz QPWVYANBQZHXPT-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000929212166 683562721 /nfs/dbraw/zinc/56/27/21/683562721.db2.gz NWNONXWUBPYVDR-UONOGXRCSA-N 0 3 368.821 2.311 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000929216387 683563997 /nfs/dbraw/zinc/56/39/97/683563997.db2.gz BYSAIJUGIGGIDC-CABCVRRESA-N 0 3 368.821 2.311 20 5 FEBDHN CN1CCn2nc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2C1 ZINC000865844243 684035912 /nfs/dbraw/zinc/03/59/12/684035912.db2.gz GKFYJFXNAUCNPI-UHFFFAOYSA-N 0 3 353.329 2.450 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3ccncc32)cc1F ZINC000866937963 684183665 /nfs/dbraw/zinc/18/36/65/684183665.db2.gz MANISAOSIXLMHR-UHFFFAOYSA-N 0 3 366.374 2.082 20 5 FEBDHN CSc1cccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000885879068 688176426 /nfs/dbraw/zinc/17/64/26/688176426.db2.gz CPYMNZJLQVWSGR-ZDUSSCGKSA-N 0 3 365.455 2.300 20 5 FEBDHN Cc1csc(C[C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000886691611 688289878 /nfs/dbraw/zinc/28/98/78/688289878.db2.gz IOTPOAXJWYAWMT-AWEZNQCLSA-N 0 3 362.455 2.476 20 5 FEBDHN O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897219620 689989692 /nfs/dbraw/zinc/98/96/92/689989692.db2.gz MBASHQUWWORNJT-QWHCGFSZSA-N 0 3 370.247 2.393 20 5 FEBDHN CN(C)CCn1nccc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000900048624 690466964 /nfs/dbraw/zinc/46/69/64/690466964.db2.gz HHEACRBBOPLNOI-UHFFFAOYSA-N 0 3 365.821 2.279 20 5 FEBDHN Nc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164909330 721541561 /nfs/dbraw/zinc/54/15/61/721541561.db2.gz RMJSKYNZDCGVNW-HIFRSBDPSA-N 0 3 373.388 2.053 20 5 FEBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)cc1 ZINC000549615264 674054041 /nfs/dbraw/zinc/05/40/41/674054041.db2.gz ALZRLFAOVPJFJY-AWEZNQCLSA-N 0 3 363.805 2.258 20 5 FEBDHN COC(=O)c1cc(C(=O)NCC(C)(C)N2CCCCC2)cc([N+](=O)[O-])c1 ZINC000015624509 539620980 /nfs/dbraw/zinc/62/09/80/539620980.db2.gz CNURZGOUHYQRDU-UHFFFAOYSA-N 0 3 363.414 2.376 20 5 FEBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000026852956 539794788 /nfs/dbraw/zinc/79/47/88/539794788.db2.gz KJTJFZIESNKDDU-INIZCTEOSA-N 0 3 355.394 2.364 20 5 FEBDHN CCOc1cc(C(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000029092932 539843091 /nfs/dbraw/zinc/84/30/91/539843091.db2.gz PVSQQOOWUIDYFC-UHFFFAOYSA-N 0 3 363.414 2.359 20 5 FEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@H]1C ZINC000032732899 539949765 /nfs/dbraw/zinc/94/97/65/539949765.db2.gz GWLQCMAXZSSDMS-OLZOCXBDSA-N 0 3 363.414 2.359 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000033089352 539967335 /nfs/dbraw/zinc/96/73/35/539967335.db2.gz XAOAWIFGSBMOPD-UHFFFAOYSA-N 0 3 357.366 2.315 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000041644056 540028747 /nfs/dbraw/zinc/02/87/47/540028747.db2.gz YWKRYRKUADGDIC-UONOGXRCSA-N 0 3 362.430 2.221 20 5 FEBDHN CC(C)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000046813891 540271908 /nfs/dbraw/zinc/27/19/08/540271908.db2.gz YTRMDTORKQXEDM-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047460167 540312820 /nfs/dbraw/zinc/31/28/20/540312820.db2.gz FJXHUEBUMCCCCM-CYBMUJFWSA-N 0 3 370.409 2.413 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160023 540456303 /nfs/dbraw/zinc/45/63/03/540456303.db2.gz PXFKIQSLKQFPFR-OLZOCXBDSA-N 0 3 370.475 2.035 20 5 FEBDHN CS(=O)(=O)c1ccc(N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052428332 540465557 /nfs/dbraw/zinc/46/55/57/540465557.db2.gz HBDNLMWDJLULDF-UHFFFAOYSA-N 0 3 367.471 2.453 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CC)cc1OC ZINC000053274928 540523154 /nfs/dbraw/zinc/52/31/54/540523154.db2.gz DXULEIPPFARLKZ-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000053992245 540562960 /nfs/dbraw/zinc/56/29/60/540562960.db2.gz GGTHOYFJQIPUSS-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000055400802 540650687 /nfs/dbraw/zinc/65/06/87/540650687.db2.gz RHHLESJHIAMAIY-CHWSQXEVSA-N 0 3 363.414 2.232 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000060950622 541123777 /nfs/dbraw/zinc/12/37/77/541123777.db2.gz LRXPQIBVXBGIEI-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN COc1ccc(CN2CCC(CNc3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000063282490 541162870 /nfs/dbraw/zinc/16/28/70/541162870.db2.gz VGSUTEIYFJDSAI-UHFFFAOYSA-N 0 3 372.429 2.300 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000067269320 541438385 /nfs/dbraw/zinc/43/83/85/541438385.db2.gz WHKZPYKPDUMAMP-CQSZACIVSA-N 0 3 365.430 2.219 20 5 FEBDHN O=C(NCCN1Cc2ccccc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067743867 541507487 /nfs/dbraw/zinc/50/74/87/541507487.db2.gz PPDZNSQWRQQOLQ-UHFFFAOYSA-N 0 3 351.366 2.217 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000068346326 541579778 /nfs/dbraw/zinc/57/97/78/541579778.db2.gz GOXDKFKYQDZORT-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000069989517 541730122 /nfs/dbraw/zinc/73/01/22/541730122.db2.gz CAIBAULLMPFRPS-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410586 541765580 /nfs/dbraw/zinc/76/55/80/541765580.db2.gz SVZUGJYZAPSBKU-AWEZNQCLSA-N 0 3 358.446 2.224 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000071826309 541773443 /nfs/dbraw/zinc/77/34/43/541773443.db2.gz DFSIUADVKBPLHD-UHFFFAOYSA-N 0 3 359.448 2.001 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000072717393 541857182 /nfs/dbraw/zinc/85/71/82/541857182.db2.gz RAINKSKHCKONMG-UHFFFAOYSA-N 0 3 373.475 2.391 20 5 FEBDHN O=C(NC1CC1)c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000073869229 542009249 /nfs/dbraw/zinc/00/92/49/542009249.db2.gz QADCURXXDYSJEL-UHFFFAOYSA-N 0 3 367.409 2.209 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000074136927 542042421 /nfs/dbraw/zinc/04/24/21/542042421.db2.gz RNSSZOZZJBNWIP-INIZCTEOSA-N 0 3 359.430 2.487 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000075922784 542215444 /nfs/dbraw/zinc/21/54/44/542215444.db2.gz KIMAMSYLHJRAHM-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000079945561 542552058 /nfs/dbraw/zinc/55/20/58/542552058.db2.gz RMWMYZUPILEEHP-DOMZBBRYSA-N 0 3 357.414 2.409 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000080543914 542594617 /nfs/dbraw/zinc/59/46/17/542594617.db2.gz HTFCKTLIGDQDEQ-GOSISDBHSA-N 0 3 350.463 2.425 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000080611648 542597143 /nfs/dbraw/zinc/59/71/43/542597143.db2.gz NULAFQUSAHJXIU-INIZCTEOSA-N 0 3 362.474 2.205 20 5 FEBDHN CCOc1cc(N2CCC(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000092622401 542875588 /nfs/dbraw/zinc/87/55/88/542875588.db2.gz SMWZUIIDKLIFJX-UHFFFAOYSA-N 0 3 362.474 2.457 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000098097786 543020505 /nfs/dbraw/zinc/02/05/05/543020505.db2.gz JBFVECZCQLXCSF-OAHLLOKOSA-N 0 3 357.414 2.204 20 5 FEBDHN Cc1c(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000104092301 543123151 /nfs/dbraw/zinc/12/31/51/543123151.db2.gz DBJVPRMEGSENGE-UHFFFAOYSA-N 0 3 371.441 2.279 20 5 FEBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113231115 543478382 /nfs/dbraw/zinc/47/83/82/543478382.db2.gz PTJYGPFEXBXXML-XJKSGUPXSA-N 0 3 369.425 2.304 20 5 FEBDHN Cc1ccc(NCCCNC(=O)NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000120303102 543678275 /nfs/dbraw/zinc/67/82/75/543678275.db2.gz UPCLJWAGKDYYPJ-OAHLLOKOSA-N 0 3 363.462 2.346 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000127554851 544000272 /nfs/dbraw/zinc/00/02/72/544000272.db2.gz SYIJHCWQKKUYGT-HNNXBMFYSA-N 0 3 364.446 2.426 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000132524716 544234270 /nfs/dbraw/zinc/23/42/70/544234270.db2.gz XXVSXGLRUHWNEE-CQSZACIVSA-N 0 3 351.403 2.478 20 5 FEBDHN O=C(CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134872214 544324352 /nfs/dbraw/zinc/32/43/52/544324352.db2.gz WBLLTRQOKAHFFW-RHSMWYFYSA-N 0 3 358.442 2.482 20 5 FEBDHN COCCN1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000138556221 544396934 /nfs/dbraw/zinc/39/69/34/544396934.db2.gz NIJOGBLMEGKCLA-ZDUSSCGKSA-N 0 3 367.471 2.302 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151629368 544564688 /nfs/dbraw/zinc/56/46/88/544564688.db2.gz YRDXLTKYSLYXRG-LBPRGKRZSA-N 0 3 373.862 2.355 20 5 FEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCN(C)C1 ZINC000153217233 544747628 /nfs/dbraw/zinc/74/76/28/544747628.db2.gz FHWASWPQFCGZBB-CYBMUJFWSA-N 0 3 370.247 2.452 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000187316910 328015853 /nfs/dbraw/zinc/01/58/53/328015853.db2.gz PKCCUIAKYRQGJW-SFHVURJKSA-N 0 3 373.457 2.454 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188125154 328067928 /nfs/dbraw/zinc/06/79/28/328067928.db2.gz KRBDIRNZHQMUAL-GFCCVEGCSA-N 0 3 353.444 2.157 20 5 FEBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000188859334 328114682 /nfs/dbraw/zinc/11/46/82/328114682.db2.gz LVJNKTFPVWGNNA-UHFFFAOYSA-N 0 3 353.806 2.324 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000189382562 328144458 /nfs/dbraw/zinc/14/44/58/328144458.db2.gz KXIWEMDNVLYJJL-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN CC(C)c1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189778096 328167339 /nfs/dbraw/zinc/16/73/39/328167339.db2.gz CVEVLTCZSDROCM-UHFFFAOYSA-N 0 3 362.474 2.428 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000189897954 328174565 /nfs/dbraw/zinc/17/45/65/328174565.db2.gz POKKOBMHEXBEHM-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000191498487 328268426 /nfs/dbraw/zinc/26/84/26/328268426.db2.gz KCMDIFIFAKGPRL-OAHLLOKOSA-N 0 3 357.414 2.378 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000191897227 328287517 /nfs/dbraw/zinc/28/75/17/328287517.db2.gz DZTPBVKBHYLNFW-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000192061983 328297650 /nfs/dbraw/zinc/29/76/50/328297650.db2.gz YYJUGOISSFARBA-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN COc1cccc(C(=O)NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000192507549 328322866 /nfs/dbraw/zinc/32/28/66/328322866.db2.gz DNJJKTDGYDKWFX-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)c1C ZINC000193434348 328375416 /nfs/dbraw/zinc/37/54/16/328375416.db2.gz ADEMIAHVRMLQML-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)N1 ZINC000193470924 328377189 /nfs/dbraw/zinc/37/71/89/328377189.db2.gz VRNNFZPUVNXBCP-SFHVURJKSA-N 0 3 370.365 2.029 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)NC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237660902 328523939 /nfs/dbraw/zinc/52/39/39/328523939.db2.gz FBWLIZNPAJRMSX-OLZOCXBDSA-N 0 3 371.441 2.279 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCc2ccccc2)CC1 ZINC000090511294 325361716 /nfs/dbraw/zinc/36/17/16/325361716.db2.gz OIRSLHCGRYJKDQ-UHFFFAOYSA-N 0 3 357.410 2.438 20 5 FEBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(C)CC1 ZINC000109987487 325681624 /nfs/dbraw/zinc/68/16/24/325681624.db2.gz OLEILMHNTIQBDU-ZDUSSCGKSA-N 0 3 372.425 2.287 20 5 FEBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000113094906 325824169 /nfs/dbraw/zinc/82/41/69/325824169.db2.gz PWQXNOVWAOOQEJ-UHFFFAOYSA-N 0 3 371.441 2.304 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c1C ZINC000119777385 326197406 /nfs/dbraw/zinc/19/74/06/326197406.db2.gz FTBIORBQVVCDQF-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000120112869 326231445 /nfs/dbraw/zinc/23/14/45/326231445.db2.gz OSHYELLGBDBXCB-ZDUSSCGKSA-N 0 3 363.462 2.217 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000121698027 326359125 /nfs/dbraw/zinc/35/91/25/326359125.db2.gz CUMCBNLWKBFPIT-HNNXBMFYSA-N 0 3 355.398 2.193 20 5 FEBDHN Cn1ccnc1CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000121917737 326375633 /nfs/dbraw/zinc/37/56/33/326375633.db2.gz NTMYVXCKESHOPI-UHFFFAOYSA-N 0 3 368.397 2.300 20 5 FEBDHN Cc1cc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000124060571 326447090 /nfs/dbraw/zinc/44/70/90/326447090.db2.gz RGLNTLDXHLGFNR-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000151731150 326689657 /nfs/dbraw/zinc/68/96/57/326689657.db2.gz NSMPUCWENDQPTF-UHFFFAOYSA-N 0 3 371.459 2.002 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c1 ZINC000154917166 326772480 /nfs/dbraw/zinc/77/24/80/326772480.db2.gz UTAGCGAYNLBZQU-MRXNPFEDSA-N 0 3 367.471 2.232 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902792 327168960 /nfs/dbraw/zinc/16/89/60/327168960.db2.gz ATUZIMBBESNLPN-BBRMVZONSA-N 0 3 350.419 2.066 20 5 FEBDHN CN(C)[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000173061967 327233050 /nfs/dbraw/zinc/23/30/50/327233050.db2.gz PHNICDBWRKXXMT-GOSISDBHSA-N 0 3 356.426 2.450 20 5 FEBDHN C[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173088822 327234609 /nfs/dbraw/zinc/23/46/09/327234609.db2.gz CASVTARZPZPJDM-UHFFFAOYSA-N 0 3 361.851 2.258 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173475407 327259863 /nfs/dbraw/zinc/25/98/63/327259863.db2.gz SSSKANJWWKKYTG-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000173512825 327262682 /nfs/dbraw/zinc/26/26/82/327262682.db2.gz FYKSNUAUOMRLQD-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173668486 327275152 /nfs/dbraw/zinc/27/51/52/327275152.db2.gz FJEYRLUHDBODGY-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173670636 327275399 /nfs/dbraw/zinc/27/53/99/327275399.db2.gz WXIOGQMAPNYOHY-ZDUSSCGKSA-N 0 3 371.459 2.098 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000174657772 327341755 /nfs/dbraw/zinc/34/17/55/327341755.db2.gz ZISXCSPVYXMFPJ-OAHLLOKOSA-N 0 3 371.397 2.173 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(CO)C1CCCCC1 ZINC000174793459 327351537 /nfs/dbraw/zinc/35/15/37/327351537.db2.gz SADIUTSJIAQEOA-GOSISDBHSA-N 0 3 365.430 2.463 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264545497 329034303 /nfs/dbraw/zinc/03/43/03/329034303.db2.gz BMFJOJWUHQGTGF-INIZCTEOSA-N 0 3 369.425 2.481 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000265113449 329092372 /nfs/dbraw/zinc/09/23/72/329092372.db2.gz LHHXOJFEKRLWSU-LBPRGKRZSA-N 0 3 351.403 2.072 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265133978 329094867 /nfs/dbraw/zinc/09/48/67/329094867.db2.gz SFXHPXQEBIMBLN-UHFFFAOYSA-N 0 3 373.457 2.224 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000266818017 329262619 /nfs/dbraw/zinc/26/26/19/329262619.db2.gz XIABUWWWCQTWIJ-OCCSQVGLSA-N 0 3 350.419 2.228 20 5 FEBDHN CCN1CCN([C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011338 329282917 /nfs/dbraw/zinc/28/29/17/329282917.db2.gz HLPRNRVSICADKX-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267028883 329284832 /nfs/dbraw/zinc/28/48/32/329284832.db2.gz FFDFVUYJMMTDBU-UHFFFAOYSA-N 0 3 356.386 2.454 20 5 FEBDHN CS[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271609764 329707511 /nfs/dbraw/zinc/70/75/11/329707511.db2.gz KBQZAPHZYMHEAB-WDEREUQCSA-N 0 3 361.265 2.234 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272474563 329784332 /nfs/dbraw/zinc/78/43/32/329784332.db2.gz IRHFXUWZTHIAFM-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000273660087 329882585 /nfs/dbraw/zinc/88/25/85/329882585.db2.gz HWKPDNBSFAFTTH-TZMCWYRMSA-N 0 3 354.432 2.113 20 5 FEBDHN CN(C)c1cccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247556400 549356435 /nfs/dbraw/zinc/35/64/35/549356435.db2.gz QJFKVISUWFYELI-QZTJIDSGSA-N 0 3 359.430 2.055 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC(CO)CC1 ZINC000156285042 545614126 /nfs/dbraw/zinc/61/41/26/545614126.db2.gz MLMVIAHXPVJRMJ-UHFFFAOYSA-N 0 3 351.403 2.025 20 5 FEBDHN CSc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000171565579 546213868 /nfs/dbraw/zinc/21/38/68/546213868.db2.gz KSHCZIZAGIODIE-CQSZACIVSA-N 0 3 367.471 2.500 20 5 FEBDHN O=C(NCCCN1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172344864 546248724 /nfs/dbraw/zinc/24/87/24/546248724.db2.gz UGMINDAUTVXEFI-UHFFFAOYSA-N 0 3 363.439 2.386 20 5 FEBDHN Nc1c(C(=O)NCC2(N3CCSCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000175976646 546384472 /nfs/dbraw/zinc/38/44/72/546384472.db2.gz CHADHBTXUUFVNO-UHFFFAOYSA-N 0 3 364.471 2.268 20 5 FEBDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176219448 546420695 /nfs/dbraw/zinc/42/06/95/546420695.db2.gz AUTARXYVUWLAAI-UHFFFAOYSA-N 0 3 356.810 2.035 20 5 FEBDHN Cc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217260 546572382 /nfs/dbraw/zinc/57/23/82/546572382.db2.gz XPSXTWCAXCLLHS-CABZTGNLSA-N 0 3 362.386 2.475 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3OC)CC2)c1 ZINC000481066882 561224418 /nfs/dbraw/zinc/22/44/18/561224418.db2.gz AMZWZQYYMDOUCZ-UHFFFAOYSA-N 0 3 372.381 2.112 20 5 FEBDHN C[C@H](CCc1ccco1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005220 546721227 /nfs/dbraw/zinc/72/12/27/546721227.db2.gz BEDXYBURELKGMI-CYBMUJFWSA-N 0 3 367.427 2.077 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859118 546861972 /nfs/dbraw/zinc/86/19/72/546861972.db2.gz LYXBZMTWBAQPFJ-CJNGLKHVSA-N 0 3 365.430 2.475 20 5 FEBDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737329 561240253 /nfs/dbraw/zinc/24/02/53/561240253.db2.gz CWZZAJTVSJGLJO-HOCLYGCPSA-N 0 3 352.387 2.016 20 5 FEBDHN Cc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc([N+](=O)[O-])c1F ZINC000180059611 547045514 /nfs/dbraw/zinc/04/55/14/547045514.db2.gz ZHRFYKOIWOWYMI-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000182254298 547461605 /nfs/dbraw/zinc/46/16/05/547461605.db2.gz ITLOBADHPNZQRG-KRWDZBQOSA-N 0 3 363.458 2.285 20 5 FEBDHN Cc1ccc(CN(CCO)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182518658 547507493 /nfs/dbraw/zinc/50/74/93/547507493.db2.gz NONXRGMFSYVFGJ-QGZVFWFLSA-N 0 3 360.410 2.137 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000183294756 547633857 /nfs/dbraw/zinc/63/38/57/547633857.db2.gz SLFZBIPZVSEMMO-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC[C@H](C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000183297785 547634731 /nfs/dbraw/zinc/63/47/31/547634731.db2.gz UATMRHSXDFJFOS-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000183295566 547635109 /nfs/dbraw/zinc/63/51/09/547635109.db2.gz KFVAWZWUEDYROV-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183782873 547718716 /nfs/dbraw/zinc/71/87/16/547718716.db2.gz BSCGCSUBJNHFMB-IBGZPJMESA-N 0 3 369.421 2.020 20 5 FEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638220 561301839 /nfs/dbraw/zinc/30/18/39/561301839.db2.gz XAZZDBDBYKJAFM-IVMMDQJWSA-N 0 3 351.403 2.014 20 5 FEBDHN Cc1c(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000183940975 547742040 /nfs/dbraw/zinc/74/20/40/547742040.db2.gz XDLMSNNJINJJBU-UHFFFAOYSA-N 0 3 363.462 2.441 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000184448775 547829244 /nfs/dbraw/zinc/82/92/44/547829244.db2.gz XMFCDJREASMTEP-MRXNPFEDSA-N 0 3 367.471 2.375 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCC(O)CC1 ZINC000184809877 547881706 /nfs/dbraw/zinc/88/17/06/547881706.db2.gz QVAHXWURUYCAFS-INIZCTEOSA-N 0 3 363.458 2.127 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000184883387 547892770 /nfs/dbraw/zinc/89/27/70/547892770.db2.gz NFUHNYKOSOSXLN-FUHWJXTLSA-N 0 3 363.458 2.127 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000193947466 548412244 /nfs/dbraw/zinc/41/22/44/548412244.db2.gz LKIXEYLDKGDXLB-ZDUSSCGKSA-N 0 3 350.419 2.135 20 5 FEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236678259 548772583 /nfs/dbraw/zinc/77/25/83/548772583.db2.gz OQZGCEPYOFIHAN-VIFPVBQESA-N 0 3 369.365 2.409 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3ccc4c(c3)OCCO4)CC2)n1 ZINC000488709831 561394937 /nfs/dbraw/zinc/39/49/37/561394937.db2.gz CIIDOEXOGDEAPK-UHFFFAOYSA-N 0 3 358.398 2.442 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000246699095 549191230 /nfs/dbraw/zinc/19/12/30/549191230.db2.gz WDGBWYUCHKODJR-JSGCOSHPSA-N 0 3 363.414 2.168 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246705198 549192681 /nfs/dbraw/zinc/19/26/81/549192681.db2.gz ZNJPWGVKOZQXKQ-IUODEOHRSA-N 0 3 355.460 2.118 20 5 FEBDHN NC(=O)c1ccc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000247746571 549376572 /nfs/dbraw/zinc/37/65/72/549376572.db2.gz QBIOQCQGAOALJC-UHFFFAOYSA-N 0 3 354.410 2.406 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1[N+](=O)[O-] ZINC000249340684 549582387 /nfs/dbraw/zinc/58/23/87/549582387.db2.gz DGXUFSHFSXETKN-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000250639870 549643287 /nfs/dbraw/zinc/64/32/87/549643287.db2.gz SQVGWZRVZWRNSY-MCIONIFRSA-N 0 3 362.430 2.016 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261520 550041885 /nfs/dbraw/zinc/04/18/85/550041885.db2.gz ZIWOAMYIMKISSM-SUMWQHHRSA-N 0 3 358.442 2.408 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1OC ZINC000268293214 550045750 /nfs/dbraw/zinc/04/57/50/550045750.db2.gz ZTRUCXMKVBRAJH-RISCZKNCSA-N 0 3 363.414 2.215 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121263 550157684 /nfs/dbraw/zinc/15/76/84/550157684.db2.gz DBWPSLLWCWILJR-YJBOKZPZSA-N 0 3 356.426 2.492 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272262672 550432443 /nfs/dbraw/zinc/43/24/43/550432443.db2.gz AVIMHEJZYXSGQR-BDJLRTHQSA-N 0 3 356.382 2.015 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000272504424 550453889 /nfs/dbraw/zinc/45/38/89/550453889.db2.gz JFNACHLCXBCLEG-GFCCVEGCSA-N 0 3 361.427 2.300 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272571128 550458401 /nfs/dbraw/zinc/45/84/01/550458401.db2.gz LGOUUQODUJRDGR-IAQYHMDHSA-N 0 3 352.822 2.484 20 5 FEBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275917710 550575156 /nfs/dbraw/zinc/57/51/56/550575156.db2.gz FTLHONYANFFVCF-HXUWFJFHSA-N 0 3 353.422 2.136 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277681012 550700765 /nfs/dbraw/zinc/70/07/65/550700765.db2.gz FOWUQFGTRCXAJD-GFCCVEGCSA-N 0 3 360.418 2.145 20 5 FEBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497356 550792582 /nfs/dbraw/zinc/79/25/82/550792582.db2.gz WIKNCQLJLBLGNO-CQSZACIVSA-N 0 3 357.414 2.227 20 5 FEBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497356 550792584 /nfs/dbraw/zinc/79/25/84/550792584.db2.gz WIKNCQLJLBLGNO-CQSZACIVSA-N 0 3 357.414 2.227 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000278570811 550800000 /nfs/dbraw/zinc/80/00/00/550800000.db2.gz PMKVUPRFEYIJGN-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN CC(=O)N1CCN(CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279034862 550849059 /nfs/dbraw/zinc/84/90/59/550849059.db2.gz IUQXNQPLZWKXCC-SFHVURJKSA-N 0 3 360.458 2.071 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000279154020 550859450 /nfs/dbraw/zinc/85/94/50/550859450.db2.gz HPFPYZBHVSQHDV-NWDGAFQWSA-N 0 3 352.410 2.355 20 5 FEBDHN COC(=O)CC1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000280315348 550979630 /nfs/dbraw/zinc/97/96/30/550979630.db2.gz GJGGINISGGPBOZ-UHFFFAOYSA-N 0 3 365.386 2.007 20 5 FEBDHN COCCN(C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280962766 551049698 /nfs/dbraw/zinc/04/96/98/551049698.db2.gz NMTBADVDDRTBMC-UHFFFAOYSA-N 0 3 372.425 2.355 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC2(CN(C)C)CCC2)cc1OC ZINC000281126233 551066309 /nfs/dbraw/zinc/06/63/09/551066309.db2.gz SVCOHFNOEJUMOZ-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000281213965 551074617 /nfs/dbraw/zinc/07/46/17/551074617.db2.gz QPTYTKJYVMOMQR-VIFPVBQESA-N 0 3 365.814 2.102 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000281345047 551086776 /nfs/dbraw/zinc/08/67/76/551086776.db2.gz WTRKPVIVUNLDPN-UHFFFAOYSA-N 0 3 371.279 2.431 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000282852756 551277740 /nfs/dbraw/zinc/27/77/40/551277740.db2.gz SJPWAKJVOLHNFN-CQSZACIVSA-N 0 3 365.430 2.224 20 5 FEBDHN O=C(COc1ccccc1)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000283049328 551303401 /nfs/dbraw/zinc/30/34/01/551303401.db2.gz SBEGVMDPUWLMDX-MRXNPFEDSA-N 0 3 355.394 2.364 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000497873963 561510390 /nfs/dbraw/zinc/51/03/90/561510390.db2.gz BWPXLBMLCBXAKO-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1F ZINC000284155300 551494181 /nfs/dbraw/zinc/49/41/81/551494181.db2.gz JMORFJIGBYEXFU-UHFFFAOYSA-N 0 3 362.361 2.018 20 5 FEBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000285369517 551745123 /nfs/dbraw/zinc/74/51/23/551745123.db2.gz FTUTXDYHGRMVHT-CQSZACIVSA-N 0 3 369.219 2.051 20 5 FEBDHN CCc1cc(NCCOCCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498908657 561537538 /nfs/dbraw/zinc/53/75/38/561537538.db2.gz CQHOKIYMIQHUIL-UHFFFAOYSA-N 0 3 359.430 2.026 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286878497 551936022 /nfs/dbraw/zinc/93/60/22/551936022.db2.gz ZEAMPPSDYLREAW-CZUORRHYSA-N 0 3 353.444 2.151 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000288187029 552106559 /nfs/dbraw/zinc/10/65/59/552106559.db2.gz GCNAMFPVYHZFPG-SFHVURJKSA-N 0 3 361.442 2.239 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000288273143 552123726 /nfs/dbraw/zinc/12/37/26/552123726.db2.gz GYMOUXPHAMKHBU-STQMWFEESA-N 0 3 363.414 2.311 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288479712 552160528 /nfs/dbraw/zinc/16/05/28/552160528.db2.gz QXIKOWQBKTWGEI-SFHVURJKSA-N 0 3 355.398 2.056 20 5 FEBDHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000500548601 561576699 /nfs/dbraw/zinc/57/66/99/561576699.db2.gz VFPPDBIMLZJNSR-SMDDNHRTSA-N 0 3 361.851 2.056 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292827934 552762365 /nfs/dbraw/zinc/76/23/65/552762365.db2.gz OPCWDMVEIQERAU-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000292883208 552768153 /nfs/dbraw/zinc/76/81/53/552768153.db2.gz VALROEWVLXNNRT-UONOGXRCSA-N 0 3 357.357 2.496 20 5 FEBDHN Cc1nn([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128307 552884125 /nfs/dbraw/zinc/88/41/25/552884125.db2.gz FGKPFKIRRLLXEF-HOCLYGCPSA-N 0 3 357.414 2.051 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000294282385 552893849 /nfs/dbraw/zinc/89/38/49/552893849.db2.gz ZTUPRNOQVWQLLN-UHFFFAOYSA-N 0 3 358.402 2.180 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000295274067 552980175 /nfs/dbraw/zinc/98/01/75/552980175.db2.gz HWBVRCFJTXJQKQ-YOGCLGLASA-N 0 3 373.862 2.460 20 5 FEBDHN CCn1cc([C@H](C)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000296267101 553132074 /nfs/dbraw/zinc/13/20/74/553132074.db2.gz YCNKIIHOZFNBKS-LBPRGKRZSA-N 0 3 361.402 2.499 20 5 FEBDHN COc1cc(C(=O)NC2CCN(C3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000296790205 553212182 /nfs/dbraw/zinc/21/21/82/553212182.db2.gz BNWQCASZBXQWCI-UHFFFAOYSA-N 0 3 363.414 2.359 20 5 FEBDHN Cc1cc(F)ccc1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000298414765 553422337 /nfs/dbraw/zinc/42/23/37/553422337.db2.gz XHDOZGRCCAUHTN-KRWDZBQOSA-N 0 3 362.405 2.479 20 5 FEBDHN Cc1ccccc1CN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298737886 553466311 /nfs/dbraw/zinc/46/63/11/553466311.db2.gz WCTMTSFTIHOKNJ-UHFFFAOYSA-N 0 3 369.425 2.474 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000299136100 553520202 /nfs/dbraw/zinc/52/02/02/553520202.db2.gz QLANSJHWLAVMJZ-KRWDZBQOSA-N 0 3 357.414 2.135 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503977694 561651215 /nfs/dbraw/zinc/65/12/15/561651215.db2.gz NKQCKPLPWFHSNK-UHFFFAOYSA-N 0 3 373.475 2.343 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCN(C2CC2)CC1 ZINC000301093329 553621341 /nfs/dbraw/zinc/62/13/41/553621341.db2.gz LSJKAXYUBHAWIF-UHFFFAOYSA-N 0 3 364.358 2.328 20 5 FEBDHN CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCc2ccccc2C1 ZINC000301105914 553622196 /nfs/dbraw/zinc/62/21/96/553622196.db2.gz NFSFDUAVKCDCLV-HNNXBMFYSA-N 0 3 356.430 2.462 20 5 FEBDHN CCN1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301144636 553625289 /nfs/dbraw/zinc/62/52/89/553625289.db2.gz AAXZYELDJQCOOA-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN CN(C)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301228267 553633291 /nfs/dbraw/zinc/63/32/91/553633291.db2.gz GDPIKEOJASRUHV-UHFFFAOYSA-N 0 3 363.386 2.122 20 5 FEBDHN C[C@H]1CN2CCC[C@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301283634 553638950 /nfs/dbraw/zinc/63/89/50/553638950.db2.gz NNPMWHKZCYEKEP-ZFWWWQNUSA-N 0 3 369.425 2.232 20 5 FEBDHN COCCN1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690820 553671863 /nfs/dbraw/zinc/67/18/63/553671863.db2.gz NOLXVKSOXMQJCR-LLVKDONJSA-N 0 3 359.224 2.275 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000507493210 561730932 /nfs/dbraw/zinc/73/09/32/561730932.db2.gz HBMHOKFQUURJCC-HUUCEWRRSA-N 0 3 367.471 2.432 20 5 FEBDHN COc1cc(C(=O)N2CCCC23CCN(C)CC3)cc([N+](=O)[O-])c1OC ZINC000509668293 561809622 /nfs/dbraw/zinc/80/96/22/561809622.db2.gz CLDKHEQQKQRQEH-UHFFFAOYSA-N 0 3 363.414 2.312 20 5 FEBDHN CCN1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331964743 554353942 /nfs/dbraw/zinc/35/39/42/554353942.db2.gz APVJPNFNXCTMGY-KBPBESRZSA-N 0 3 362.430 2.307 20 5 FEBDHN COc1c(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332084192 554377249 /nfs/dbraw/zinc/37/72/49/554377249.db2.gz PLYMQBFGQYXBIB-GJZGRUSLSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000332091771 554378545 /nfs/dbraw/zinc/37/85/45/554378545.db2.gz VVGJFHZTCWEVPU-GDBMZVCRSA-N 0 3 367.471 2.459 20 5 FEBDHN COc1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371395 554433828 /nfs/dbraw/zinc/43/38/28/554433828.db2.gz BCOXEHUYUOMCPD-WBVHZDCISA-N 0 3 362.474 2.061 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510713687 561844393 /nfs/dbraw/zinc/84/43/93/561844393.db2.gz BKBZYTZAALPXFT-UONOGXRCSA-N 0 3 373.450 2.381 20 5 FEBDHN CN(CCN1CCN(c2ccncc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511374956 561867281 /nfs/dbraw/zinc/86/72/81/561867281.db2.gz BZZMWNVWGUIUGE-UHFFFAOYSA-N 0 3 355.442 2.244 20 5 FEBDHN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000360973664 554898390 /nfs/dbraw/zinc/89/83/90/554898390.db2.gz VMOGFADGAOVXNT-ZDUSSCGKSA-N 0 3 353.854 2.248 20 5 FEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141077 554905704 /nfs/dbraw/zinc/90/57/04/554905704.db2.gz IJYFXULWXOKXSA-DZGCQCFKSA-N 0 3 357.414 2.045 20 5 FEBDHN CN(C)C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000362164391 554953647 /nfs/dbraw/zinc/95/36/47/554953647.db2.gz VRLPCQSZFUKXNC-OAHLLOKOSA-N 0 3 370.409 2.023 20 5 FEBDHN CN(C)C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000362165977 554953757 /nfs/dbraw/zinc/95/37/57/554953757.db2.gz YZBZXAMKSAIWJA-CQSZACIVSA-N 0 3 370.409 2.363 20 5 FEBDHN CC(=O)c1ccc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000362328070 554964173 /nfs/dbraw/zinc/96/41/73/554964173.db2.gz WJROPCQTIWCKHQ-AWEZNQCLSA-N 0 3 360.458 2.402 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362396979 554969537 /nfs/dbraw/zinc/96/95/37/554969537.db2.gz QEYTZZJMICZCNU-UONOGXRCSA-N 0 3 365.455 2.300 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787823 554988628 /nfs/dbraw/zinc/98/86/28/554988628.db2.gz LCBLCUDWFQLBKC-IRXDYDNUSA-N 0 3 374.441 2.132 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364204262 555269156 /nfs/dbraw/zinc/26/91/56/555269156.db2.gz ZBZPWOOLASPENL-LSDHHAIUSA-N 0 3 359.357 2.066 20 5 FEBDHN COCCCN1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364938353 555444092 /nfs/dbraw/zinc/44/40/92/555444092.db2.gz GPSJHHLHIMGSAM-CQSZACIVSA-N 0 3 367.421 2.408 20 5 FEBDHN C[C@@H](CO)N1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000364952478 555448450 /nfs/dbraw/zinc/44/84/50/555448450.db2.gz CQANFWHRDIOICE-NSHDSACASA-N 0 3 358.236 2.250 20 5 FEBDHN Cc1cc(C)cc(OC[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365817931 555674379 /nfs/dbraw/zinc/67/43/79/555674379.db2.gz DKOVEVMJVQCZEM-KRWDZBQOSA-N 0 3 374.441 2.485 20 5 FEBDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000365834281 555678721 /nfs/dbraw/zinc/67/87/21/555678721.db2.gz GPTUWKDBPJOSBP-KRWDZBQOSA-N 0 3 363.462 2.294 20 5 FEBDHN O=C1[C@H](N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866127 561952872 /nfs/dbraw/zinc/95/28/72/561952872.db2.gz NZRDOARSWQPSPF-QBPKDAKJSA-N 0 3 357.410 2.247 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366818912 555942930 /nfs/dbraw/zinc/94/29/30/555942930.db2.gz AGFITECYOBWUNF-UHFFFAOYSA-N 0 3 367.471 2.232 20 5 FEBDHN Nc1nccc([C@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366991762 555991301 /nfs/dbraw/zinc/99/13/01/555991301.db2.gz ZRZWMUJGWBCWJU-AWEZNQCLSA-N 0 3 357.414 2.616 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2ccccc2[C@H]1O ZINC000367308951 556015137 /nfs/dbraw/zinc/01/51/37/556015137.db2.gz RSBNALZUFNTBSU-SMNXXWJPSA-N 0 3 371.393 2.396 20 5 FEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515176188 561999388 /nfs/dbraw/zinc/99/93/88/561999388.db2.gz BMGUSZKKJPJSGA-UHFFFAOYSA-N 0 3 369.365 2.409 20 5 FEBDHN N[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000368417940 556302993 /nfs/dbraw/zinc/30/29/93/556302993.db2.gz VGRJZHLTBKNOAK-IRXDYDNUSA-N 0 3 359.357 2.066 20 5 FEBDHN CCOc1cccc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000368871302 556434270 /nfs/dbraw/zinc/43/42/70/556434270.db2.gz XQNJJQISAWPGAR-HOTGVXAUSA-N 0 3 362.474 2.456 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368964544 556460615 /nfs/dbraw/zinc/46/06/15/556460615.db2.gz GLXMHBGNIQKJER-DOTOQJQBSA-N 0 3 363.458 2.079 20 5 FEBDHN CC(C)(O)CN1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000368966278 556461471 /nfs/dbraw/zinc/46/14/71/556461471.db2.gz YBWLSWHPWWQSQA-UHFFFAOYSA-N 0 3 362.352 2.292 20 5 FEBDHN Nc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369164022 556523222 /nfs/dbraw/zinc/52/32/22/556523222.db2.gz NPTBJJWJJNSNRI-OAHLLOKOSA-N 0 3 369.425 2.214 20 5 FEBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000516002016 562027562 /nfs/dbraw/zinc/02/75/62/562027562.db2.gz LPNAJOQTGWMWPE-MRXNPFEDSA-N 0 3 357.410 2.263 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000369724150 556678356 /nfs/dbraw/zinc/67/83/56/556678356.db2.gz ZRQGGEVJYBSAEA-UHFFFAOYSA-N 0 3 371.434 2.230 20 5 FEBDHN CN(C(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000369996506 556752426 /nfs/dbraw/zinc/75/24/26/556752426.db2.gz MRKZOBLWWBSBEI-UHFFFAOYSA-N 0 3 357.414 2.166 20 5 FEBDHN Cc1cc(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417986 556867103 /nfs/dbraw/zinc/86/71/03/556867103.db2.gz DRRYQNOFGPFMEX-GJZGRUSLSA-N 0 3 358.373 2.191 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370423704 556868376 /nfs/dbraw/zinc/86/83/76/556868376.db2.gz METUJYNZXBUSSZ-QGZVFWFLSA-N 0 3 360.458 2.144 20 5 FEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000371352417 557157202 /nfs/dbraw/zinc/15/72/02/557157202.db2.gz XJSZCBDIEBBTMS-DOMZBBRYSA-N 0 3 353.854 2.105 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1Cn1cccn1 ZINC000371689971 557263484 /nfs/dbraw/zinc/26/34/84/557263484.db2.gz UOJSFTWNJGZLEI-JKSUJKDBSA-N 0 3 360.414 2.086 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC/C=C\c2ccccc2)c1 ZINC000518290005 562107779 /nfs/dbraw/zinc/10/77/79/562107779.db2.gz FPUKYHUMAZYIQT-YVMONPNESA-N 0 3 361.423 2.176 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c(C)cc1[N+](=O)[O-] ZINC000518342609 562108984 /nfs/dbraw/zinc/10/89/84/562108984.db2.gz ADLKNZQIXPODFU-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@H]3CN(C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452545 562111843 /nfs/dbraw/zinc/11/18/43/562111843.db2.gz LTKLUXHKTMPBKQ-AWEZNQCLSA-N 0 3 374.441 2.199 20 5 FEBDHN COC1CCN(C2(CNc3c([N+](=O)[O-])c(C)nn3C)CCCC2)CC1 ZINC000518594997 562114835 /nfs/dbraw/zinc/11/48/35/562114835.db2.gz FHTMPMDUOKBFSI-UHFFFAOYSA-N 0 3 351.451 2.472 20 5 FEBDHN O=C(Nc1ccccn1)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722781 557547382 /nfs/dbraw/zinc/54/73/82/557547382.db2.gz BQLKSQDQTHJLMA-DOTOQJQBSA-N 0 3 370.409 2.374 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373224883 557653271 /nfs/dbraw/zinc/65/32/71/557653271.db2.gz AGJGXILRKYXAME-UHFFFAOYSA-N 0 3 358.402 3.010 20 5 FEBDHN CC(C)NC(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672500 557735892 /nfs/dbraw/zinc/73/58/92/557735892.db2.gz IEPDOFADDIGQBG-LSDHHAIUSA-N 0 3 362.430 2.008 20 5 FEBDHN COc1cc(CN[C@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])cc1OC ZINC000373955502 557795990 /nfs/dbraw/zinc/79/59/90/557795990.db2.gz JMGNXNMKFPAOGY-AWEZNQCLSA-N 0 3 373.413 2.161 20 5 FEBDHN CCO[C@@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000521032274 562168028 /nfs/dbraw/zinc/16/80/28/562168028.db2.gz BQVDGNXBNFYARE-JZXOWHBKSA-N 0 3 363.414 2.240 20 5 FEBDHN CCC(=O)c1ccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000375654477 558062975 /nfs/dbraw/zinc/06/29/75/558062975.db2.gz JDANQSZDLANOSG-MRXNPFEDSA-N 0 3 360.458 2.404 20 5 FEBDHN Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000375882135 558093190 /nfs/dbraw/zinc/09/31/90/558093190.db2.gz RRPGDRQXXTXRJC-MRXNPFEDSA-N 0 3 360.458 2.144 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376079161 558124023 /nfs/dbraw/zinc/12/40/23/558124023.db2.gz FTQIYELZEMQCOU-AWEZNQCLSA-N 0 3 364.450 2.012 20 5 FEBDHN COc1cc(C(=O)Nc2cnccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000522247026 562195060 /nfs/dbraw/zinc/19/50/60/562195060.db2.gz KPXYGPOWFRATMZ-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377481875 558348351 /nfs/dbraw/zinc/34/83/51/558348351.db2.gz PMBJJAAMMMWKCR-QEJZJMRPSA-N 0 3 365.455 2.055 20 5 FEBDHN COc1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000377637017 558382836 /nfs/dbraw/zinc/38/28/36/558382836.db2.gz NFYVFZSUMCULRK-AWEZNQCLSA-N 0 3 370.409 2.071 20 5 FEBDHN COC1CCN(C2(CNC(=O)c3cc([N+](=O)[O-])cn3C)CCCC2)CC1 ZINC000522655819 562201096 /nfs/dbraw/zinc/20/10/96/562201096.db2.gz SOECGYCLXZRKST-UHFFFAOYSA-N 0 3 364.446 2.087 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000524871858 562236459 /nfs/dbraw/zinc/23/64/59/562236459.db2.gz MQJKAPPVFMKFMI-OCCSQVGLSA-N 0 3 355.460 2.397 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000411218531 558854883 /nfs/dbraw/zinc/85/48/83/558854883.db2.gz YTGYCBCRHWJQHP-AWEZNQCLSA-N 0 3 374.441 2.283 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525292204 562245340 /nfs/dbraw/zinc/24/53/40/562245340.db2.gz YXIAVUBSUJKOHP-GFCCVEGCSA-N 0 3 355.822 2.475 20 5 FEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411971538 558997828 /nfs/dbraw/zinc/99/78/28/558997828.db2.gz UAYVZUOEEDEXQC-IBGZPJMESA-N 0 3 355.394 2.103 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413824606 559132849 /nfs/dbraw/zinc/13/28/49/559132849.db2.gz WRTGAZSPZXGPDQ-IAGOWNOFSA-N 0 3 363.458 2.127 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(F)c1 ZINC000413901717 559138663 /nfs/dbraw/zinc/13/86/63/559138663.db2.gz NKEKXZMJTZPDIB-UHFFFAOYSA-N 0 3 350.350 2.265 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415657827 559258831 /nfs/dbraw/zinc/25/88/31/559258831.db2.gz MWEGUBAKNPELBX-GXFFZTMASA-N 0 3 352.391 2.228 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416366721 559307712 /nfs/dbraw/zinc/30/77/12/559307712.db2.gz DGGWWYYGKWNTML-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416389905 559309490 /nfs/dbraw/zinc/30/94/90/559309490.db2.gz ONJXELGRROXSED-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c1 ZINC000416547626 559321080 /nfs/dbraw/zinc/32/10/80/559321080.db2.gz AAVHLXWRBMFFPE-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000527279384 562283630 /nfs/dbraw/zinc/28/36/30/562283630.db2.gz ATVKSNUSRSZYJI-AWEZNQCLSA-N 0 3 370.409 2.451 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420392975 559485023 /nfs/dbraw/zinc/48/50/23/559485023.db2.gz QCHNUSZSRVMWQH-DLBZAZTESA-N 0 3 372.400 2.408 20 5 FEBDHN CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420450429 559488110 /nfs/dbraw/zinc/48/81/10/559488110.db2.gz PKNNFZXXRVYNAE-UHFFFAOYSA-N 0 3 367.349 2.034 20 5 FEBDHN COc1cccc([C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])N(C)C)c1 ZINC000420581843 559492783 /nfs/dbraw/zinc/49/27/83/559492783.db2.gz ILMWFZXNVYELKX-MRXNPFEDSA-N 0 3 358.398 2.417 20 5 FEBDHN CN(CC1CCN(c2ccncc2)CC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420616492 559493997 /nfs/dbraw/zinc/49/39/97/559493997.db2.gz SBSIRWPKTSHJKW-UHFFFAOYSA-N 0 3 369.425 2.442 20 5 FEBDHN COC(=O)c1cc(NC(=O)N(C)C[C@@H]2CCCN2C)c(C)c([N+](=O)[O-])c1 ZINC000421112526 559524624 /nfs/dbraw/zinc/52/46/24/559524624.db2.gz SZNKYNFKBJILQF-ZDUSSCGKSA-N 0 3 364.402 2.248 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000422239113 559573028 /nfs/dbraw/zinc/57/30/28/559573028.db2.gz SLFFSXDXECOTCP-HNNXBMFYSA-N 0 3 363.462 2.441 20 5 FEBDHN Cn1ccnc1[C@H](N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483971 559630037 /nfs/dbraw/zinc/63/00/37/559630037.db2.gz QMIYWPISPGLSHC-UONOGXRCSA-N 0 3 351.357 2.005 20 5 FEBDHN N[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424043077 559652411 /nfs/dbraw/zinc/65/24/11/559652411.db2.gz XZWNYTNCDKABQJ-GOEBONIOSA-N 0 3 373.384 2.456 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(c3ccncc3)CC2)n1 ZINC000427370474 559754251 /nfs/dbraw/zinc/75/42/51/559754251.db2.gz RZQUUVOIYBYNQA-UHFFFAOYSA-N 0 3 372.429 2.195 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)CC1 ZINC000428264150 559772512 /nfs/dbraw/zinc/77/25/12/559772512.db2.gz YZMYEYLVYCTMDY-UHFFFAOYSA-N 0 3 368.397 2.792 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429236841 559793535 /nfs/dbraw/zinc/79/35/35/559793535.db2.gz MSGQXQOUHDULMK-YPMHNXCESA-N 0 3 371.393 2.393 20 5 FEBDHN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000429790560 559805681 /nfs/dbraw/zinc/80/56/81/559805681.db2.gz GHRYAXSINFDMSL-LBPRGKRZSA-N 0 3 360.336 2.284 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1NCCCCN1CCN(CCO)CC1 ZINC000432320064 559856304 /nfs/dbraw/zinc/85/63/04/559856304.db2.gz LPALHTAQGZAMTM-UHFFFAOYSA-N 0 3 356.854 2.050 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1CCOC ZINC000439910499 560001735 /nfs/dbraw/zinc/00/17/35/560001735.db2.gz HMJIFRVRRXVXCX-AWEZNQCLSA-N 0 3 366.418 2.226 20 5 FEBDHN Cc1cccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440507672 560012821 /nfs/dbraw/zinc/01/28/21/560012821.db2.gz UHRRULFTUDPOHS-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN Cc1c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000440508776 560012932 /nfs/dbraw/zinc/01/29/32/560012932.db2.gz FENZCNFUJANOSM-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCC2(CCCCC2)CC1 ZINC000442976079 560064745 /nfs/dbraw/zinc/06/47/45/560064745.db2.gz LCAYUQBYHGTEQK-UHFFFAOYSA-N 0 3 363.462 2.344 20 5 FEBDHN COc1cccc(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000444178278 560104343 /nfs/dbraw/zinc/10/43/43/560104343.db2.gz BOCVCAYLLKUCID-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000445072681 560128089 /nfs/dbraw/zinc/12/80/89/560128089.db2.gz FTOADKDASGPQQC-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1C ZINC000445074999 560128240 /nfs/dbraw/zinc/12/82/40/560128240.db2.gz XMTGVEJLFWKPIT-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1c(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000447427680 560162164 /nfs/dbraw/zinc/16/21/64/560162164.db2.gz KPEZZVBVRDBQQX-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCN1CCC(O)CC1 ZINC000447816525 560169872 /nfs/dbraw/zinc/16/98/72/560169872.db2.gz LILHLPPZEZUZDH-UHFFFAOYSA-N 0 3 371.821 2.294 20 5 FEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000448962756 560209051 /nfs/dbraw/zinc/20/90/51/560209051.db2.gz QRQXMBXRYVMPRH-HNNXBMFYSA-N 0 3 355.398 2.294 20 5 FEBDHN Cc1cc(N2CCC[C@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449169105 560218757 /nfs/dbraw/zinc/21/87/57/560218757.db2.gz CHMHUDAHCPXAKX-CJNGLKHVSA-N 0 3 371.441 2.353 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449903688 560244893 /nfs/dbraw/zinc/24/48/93/560244893.db2.gz OHVWEPIEGCMPRQ-CYBMUJFWSA-N 0 3 357.414 2.399 20 5 FEBDHN C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450547766 560265723 /nfs/dbraw/zinc/26/57/23/560265723.db2.gz PCIXQFSVWBHKIB-MRXNPFEDSA-N 0 3 374.485 2.348 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451483938 560309685 /nfs/dbraw/zinc/30/96/85/560309685.db2.gz YVRPRORTBARDDR-JCURWCKSSA-N 0 3 363.414 2.335 20 5 FEBDHN CO[C@@H]1C[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826203 560331050 /nfs/dbraw/zinc/33/10/50/560331050.db2.gz FENYPTNHAAPOGG-HYVNUMGLSA-N 0 3 350.415 2.224 20 5 FEBDHN CCn1cc([C@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000451890968 560335034 /nfs/dbraw/zinc/33/50/34/560335034.db2.gz RMCWJKSINYPTEL-LBPRGKRZSA-N 0 3 359.386 2.460 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1CCO ZINC000452369904 560360672 /nfs/dbraw/zinc/36/06/72/560360672.db2.gz FFBXEZAODAWLEF-FUHWJXTLSA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000454071371 560426695 /nfs/dbraw/zinc/42/66/95/560426695.db2.gz QZCMWMMZMBEQIK-UHFFFAOYSA-N 0 3 362.430 2.141 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455465314 560483401 /nfs/dbraw/zinc/48/34/01/560483401.db2.gz OTDVMDJUMJENLP-OAHLLOKOSA-N 0 3 350.419 2.126 20 5 FEBDHN CNc1nc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455603019 560488824 /nfs/dbraw/zinc/48/88/24/560488824.db2.gz OBYPCSSMDXJJTC-CYBMUJFWSA-N 0 3 357.414 2.282 20 5 FEBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000455885941 560499140 /nfs/dbraw/zinc/49/91/40/560499140.db2.gz HTQPZOUSAAZPNJ-UHFFFAOYSA-N 0 3 363.443 2.297 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@H](OC)C12CCC2 ZINC000459759021 560706637 /nfs/dbraw/zinc/70/66/37/560706637.db2.gz LQZTVLDDISSALK-XZJROXQQSA-N 0 3 363.414 2.478 20 5 FEBDHN NC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000459763384 560706822 /nfs/dbraw/zinc/70/68/22/560706822.db2.gz CIXMMPYSMHZPLI-UHFFFAOYSA-N 0 3 359.426 2.243 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797650 560709001 /nfs/dbraw/zinc/70/90/01/560709001.db2.gz SGFYOZHJIMVHDD-SOLBZPMBSA-N 0 3 364.442 2.208 20 5 FEBDHN CNS(=O)(=O)c1ccc([C@H](C)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000467989110 560920799 /nfs/dbraw/zinc/92/07/99/560920799.db2.gz CHZNVOCYLJLMFL-ZDUSSCGKSA-N 0 3 363.439 2.396 20 5 FEBDHN O=C(c1ccc2c(c1)CNC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000470355151 560979281 /nfs/dbraw/zinc/97/92/81/560979281.db2.gz UHNIVWWFHJHQJM-UHFFFAOYSA-N 0 3 352.394 2.160 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000472675264 561032668 /nfs/dbraw/zinc/03/26/68/561032668.db2.gz AZXZMBHVRPZNHN-UHFFFAOYSA-N 0 3 361.423 2.408 20 5 FEBDHN COC(=O)COc1ccc(CNCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000474360083 561072158 /nfs/dbraw/zinc/07/21/58/561072158.db2.gz YWVCOBCLQXXBRD-UHFFFAOYSA-N 0 3 365.430 2.112 20 5 FEBDHN COc1c(C(=O)NCC(C)(C)N2CCC(OC)CC2)cccc1[N+](=O)[O-] ZINC000475752359 561104315 /nfs/dbraw/zinc/10/43/15/561104315.db2.gz CKBXZMUUNAXIDA-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000476610214 561124186 /nfs/dbraw/zinc/12/41/86/561124186.db2.gz MEZYRTBXHMDELX-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CN1CCN(c2ccncc2NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000531024798 562432322 /nfs/dbraw/zinc/43/23/22/562432322.db2.gz HTQMMYVNRQKOGX-UHFFFAOYSA-N 0 3 369.425 2.313 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1 ZINC000532342387 562474718 /nfs/dbraw/zinc/47/47/18/562474718.db2.gz DFLCHABKCIHIFH-INIZCTEOSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2nccn2C)C1 ZINC000533865471 562520093 /nfs/dbraw/zinc/52/00/93/562520093.db2.gz OBLQZOKKWOLNNM-CQSZACIVSA-N 0 3 357.414 2.455 20 5 FEBDHN CS[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534827447 562543253 /nfs/dbraw/zinc/54/32/53/562543253.db2.gz LQMVHANPGMFOEJ-CVEARBPZSA-N 0 3 366.487 2.291 20 5 FEBDHN COCCCN1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534962365 562546298 /nfs/dbraw/zinc/54/62/98/562546298.db2.gz CIKWETADQHXJOI-UHFFFAOYSA-N 0 3 360.414 2.307 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)(CN3CCN(C)CC3)CC2)n1 ZINC000541623919 562616851 /nfs/dbraw/zinc/61/68/51/562616851.db2.gz FOZPELADADQXIT-UHFFFAOYSA-N 0 3 361.490 2.461 20 5 FEBDHN CN(CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccncc1 ZINC000541856396 568021608 /nfs/dbraw/zinc/02/16/08/568021608.db2.gz WJDZMWCRHUPYBN-UHFFFAOYSA-N 0 3 369.425 2.165 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000570923902 568689628 /nfs/dbraw/zinc/68/96/28/568689628.db2.gz XYJPRBFNGMIRNS-GDBMZVCRSA-N 0 3 367.471 2.262 20 5 FEBDHN Cc1c([C@@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924211 674428213 /nfs/dbraw/zinc/42/82/13/674428213.db2.gz IGUKKIWPVIXSLG-KGLIPLIRSA-N 0 3 355.460 2.368 20 5 FEBDHN COCCN1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557561996 674454137 /nfs/dbraw/zinc/45/41/37/674454137.db2.gz BJJWTEWJUDZHRG-ZDUSSCGKSA-N 0 3 351.403 2.213 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000560583255 674600834 /nfs/dbraw/zinc/60/08/34/674600834.db2.gz WPDOVEBFVSBXIL-UKRRQHHQSA-N 0 3 355.460 2.368 20 5 FEBDHN CCOC(=O)N1[C@H](C(=O)OCC(C)[N+](=O)[O-])CC[C@H]1c1ccc(C)o1 ZINC000813104683 674720012 /nfs/dbraw/zinc/72/00/12/674720012.db2.gz FTOOAAQOFIZXMJ-WXHSDQCUSA-N 0 3 354.359 2.458 20 5 FEBDHN CC(COC(=O)CCNC(=O)Nc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813108354 674720546 /nfs/dbraw/zinc/72/05/46/674720546.db2.gz DRUSYVUPCVSPPX-SECBINFHSA-N 0 3 374.191 2.169 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)[N+](=O)[O-] ZINC000813111574 674720848 /nfs/dbraw/zinc/72/08/48/674720848.db2.gz VGAPAPSCMCABFI-ZDUSSCGKSA-N 0 3 363.391 2.483 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000563435786 674887262 /nfs/dbraw/zinc/88/72/62/674887262.db2.gz CCUFICDZGYRSSP-CQSZACIVSA-N 0 3 355.460 2.135 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113198630 670881413 /nfs/dbraw/zinc/88/14/13/670881413.db2.gz LATLECNAOVBVBR-CYBMUJFWSA-N 0 3 350.375 2.497 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)cs1 ZINC000119736580 671907096 /nfs/dbraw/zinc/90/70/96/671907096.db2.gz ANQSTRJEHWBXON-GFCCVEGCSA-N 0 3 359.473 2.295 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132369569 672097280 /nfs/dbraw/zinc/09/72/80/672097280.db2.gz ZFKFEPSOLITMRV-GFCCVEGCSA-N 0 3 350.375 2.334 20 5 FEBDHN CCOc1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793065 672216580 /nfs/dbraw/zinc/21/65/80/672216580.db2.gz BHCRDXGLDSDELE-QZTJIDSGSA-N 0 3 350.415 2.403 20 5 FEBDHN CN1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2cnccc21 ZINC000176975219 672378563 /nfs/dbraw/zinc/37/85/63/672378563.db2.gz ACEREYJEKPSWNN-UHFFFAOYSA-N 0 3 368.802 2.288 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590047169 672556644 /nfs/dbraw/zinc/55/66/44/672556644.db2.gz WMXXTIWTSWJSFI-WFASDCNBSA-N 0 3 358.423 2.494 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590047167 672556652 /nfs/dbraw/zinc/55/66/52/672556652.db2.gz WMXXTIWTSWJSFI-IUODEOHRSA-N 0 3 358.423 2.494 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1SC ZINC000590445414 672583291 /nfs/dbraw/zinc/58/32/91/672583291.db2.gz LWHLAYJGNFOGCJ-GWCFXTLKSA-N 0 3 351.428 2.101 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590589138 672593181 /nfs/dbraw/zinc/59/31/81/672593181.db2.gz MDOYPANPZNEPBM-GXFFZTMASA-N 0 3 361.851 2.270 20 5 FEBDHN CSC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132246 672762351 /nfs/dbraw/zinc/76/23/51/672762351.db2.gz DRYOJWLNKDHDMA-BZUAXINKSA-N 0 3 354.472 2.424 20 5 FEBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594039565 673024697 /nfs/dbraw/zinc/02/46/97/673024697.db2.gz AFJSPNAMYFLNRY-HZPDHXFCSA-N 0 3 356.444 2.306 20 5 FEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000594525248 673095114 /nfs/dbraw/zinc/09/51/14/673095114.db2.gz UCIIIIRCRIJVAS-MLGOLLRUSA-N 0 3 365.455 2.128 20 5 FEBDHN C[C@@H](CSCCF)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595034507 673188124 /nfs/dbraw/zinc/18/81/24/673188124.db2.gz WHUHAZAEOZVFMV-NSHDSACASA-N 0 3 350.437 2.049 20 5 FEBDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779965 673324649 /nfs/dbraw/zinc/32/46/49/673324649.db2.gz HBEGXAJSWHZFBL-FZZIBODNSA-N 0 3 353.806 2.468 20 5 FEBDHN CCOC(=O)CC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000595873517 673332729 /nfs/dbraw/zinc/33/27/29/673332729.db2.gz BSIIHYXZNVAZIB-UHFFFAOYSA-N 0 3 352.387 2.195 20 5 FEBDHN COc1cc(CNC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000538420664 673439391 /nfs/dbraw/zinc/43/93/91/673439391.db2.gz RNCRWVZJCWGHRV-GFCCVEGCSA-N 0 3 350.371 2.146 20 5 FEBDHN COc1cc(CN[C@@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597191775 673455635 /nfs/dbraw/zinc/45/56/35/673455635.db2.gz GYXURAKNSQADOV-JTQLQIEISA-N 0 3 360.357 2.498 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCN1CC(F)F)OCCO2 ZINC000598987295 673626501 /nfs/dbraw/zinc/62/65/01/673626501.db2.gz KGIGFSJFDYCTLM-GFCCVEGCSA-N 0 3 357.357 2.185 20 5 FEBDHN COc1cc(CNC[C@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1OC ZINC000598986872 673626530 /nfs/dbraw/zinc/62/65/30/673626530.db2.gz GAIIKTJIMCFUHZ-GFCCVEGCSA-N 0 3 359.373 2.431 20 5 FEBDHN CN1CCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000600691424 673792268 /nfs/dbraw/zinc/79/22/68/673792268.db2.gz QDYPXWGBUGENLT-JTQLQIEISA-N 0 3 361.320 2.360 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601357003 673847527 /nfs/dbraw/zinc/84/75/27/673847527.db2.gz YDGBTXWOPKGLJI-JSGCOSHPSA-N 0 3 373.450 2.393 20 5 FEBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000615313923 676211894 /nfs/dbraw/zinc/21/18/94/676211894.db2.gz YJFFJHRLWSNBEA-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1ccc(Br)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000567694589 675313655 /nfs/dbraw/zinc/31/36/55/675313655.db2.gz XRVXTPLEWCWWPW-ZDUSSCGKSA-N 0 3 369.219 2.013 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC000827435369 675755550 /nfs/dbraw/zinc/75/55/50/675755550.db2.gz GMZZQMLUPNPECX-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000840754599 680840911 /nfs/dbraw/zinc/84/09/11/680840911.db2.gz JHOGOTUQNDNICT-LSDHHAIUSA-N 0 3 350.444 2.087 20 5 FEBDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000752072661 680221833 /nfs/dbraw/zinc/22/18/33/680221833.db2.gz JFXTXDIMCIEULZ-QWHCGFSZSA-N 0 3 353.423 2.026 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000752234496 680231127 /nfs/dbraw/zinc/23/11/27/680231127.db2.gz IJLISLBOKIKLHE-CHWSQXEVSA-N 0 3 373.862 2.462 20 5 FEBDHN O=C(NCCN1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754975153 680391109 /nfs/dbraw/zinc/39/11/09/680391109.db2.gz BGNRYTBRKXBDAV-UHFFFAOYSA-N 0 3 360.183 2.322 20 5 FEBDHN Cc1csc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC001034816509 680439991 /nfs/dbraw/zinc/43/99/91/680439991.db2.gz QGWFDMMXUUCSSJ-HUUCEWRRSA-N 0 3 360.439 2.023 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000837191353 680565778 /nfs/dbraw/zinc/56/57/78/680565778.db2.gz NGLYFPYLWDKCTQ-LBPRGKRZSA-N 0 3 352.410 2.355 20 5 FEBDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000846204304 681200437 /nfs/dbraw/zinc/20/04/37/681200437.db2.gz HZTMPESHQSZVDK-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776496996 681396584 /nfs/dbraw/zinc/39/65/84/681396584.db2.gz BXLBRDXDOBFDEX-IUODEOHRSA-N 0 3 374.846 2.074 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000776591549 681412596 /nfs/dbraw/zinc/41/25/96/681412596.db2.gz JSHCUWZMYXCTAB-MSOLQXFVSA-N 0 3 350.415 2.288 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1F ZINC000851648761 682101297 /nfs/dbraw/zinc/10/12/97/682101297.db2.gz NXQWEJBWJQCUAQ-HUUCEWRRSA-N 0 3 350.394 2.096 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790636178 682690019 /nfs/dbraw/zinc/69/00/19/682690019.db2.gz VPOSXLLMTFCDLP-LBPRGKRZSA-N 0 3 373.812 2.157 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928446095 683453300 /nfs/dbraw/zinc/45/33/00/683453300.db2.gz VDHVHERKRCQDQE-FZMZJTMJSA-N 0 3 353.444 2.156 20 5 FEBDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930844181 683792055 /nfs/dbraw/zinc/79/20/55/683792055.db2.gz BQUZTIZVDOJEAE-KFWWJZLASA-N 0 3 357.451 2.047 20 5 FEBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135175 687003829 /nfs/dbraw/zinc/00/38/29/687003829.db2.gz RFOLBWXHAACTFD-KBPBESRZSA-N 0 3 352.822 2.355 20 5 FEBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135176 687004315 /nfs/dbraw/zinc/00/43/15/687004315.db2.gz RFOLBWXHAACTFD-KGLIPLIRSA-N 0 3 352.822 2.355 20 5 FEBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882769179 687480809 /nfs/dbraw/zinc/48/08/09/687480809.db2.gz KRGDNDBTAHAASK-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN COc1cc(CNC2CC(CCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000898011049 690115135 /nfs/dbraw/zinc/11/51/35/690115135.db2.gz MZHCCSOWMIZKMJ-UHFFFAOYSA-N 0 3 360.357 2.498 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900187339 690481015 /nfs/dbraw/zinc/48/10/15/690481015.db2.gz FDUDMSXIFPFJEV-UHFFFAOYSA-N 0 3 372.828 2.145 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000905622634 691153052 /nfs/dbraw/zinc/15/30/52/691153052.db2.gz DIHDCWQYAVCANB-HNNXBMFYSA-N 0 3 368.455 2.450 20 5 FEBDHN C[C@H](N[C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851769 691182714 /nfs/dbraw/zinc/18/27/14/691182714.db2.gz CXAFETVJXCGZMJ-VBNZEHGJSA-N 0 3 364.471 2.091 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000008121896 539477810 /nfs/dbraw/zinc/47/78/10/539477810.db2.gz JYXFUYRHHGKJPB-UHFFFAOYSA-N 0 3 358.423 2.431 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000014870923 539607297 /nfs/dbraw/zinc/60/72/97/539607297.db2.gz MUMLHBNDNFVUEJ-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000023242133 539709074 /nfs/dbraw/zinc/70/90/74/539709074.db2.gz UITIBPYXZFSHFI-UHFFFAOYSA-N 0 3 371.441 2.280 20 5 FEBDHN Cc1cccc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000031467459 539908568 /nfs/dbraw/zinc/90/85/68/539908568.db2.gz WFUSVKOEHMRFHP-UHFFFAOYSA-N 0 3 370.409 2.447 20 5 FEBDHN Cc1c(C(=O)N[C@H](C)CN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032663120 539947110 /nfs/dbraw/zinc/94/71/10/539947110.db2.gz DQQUUDMCJPFTNL-LLVKDONJSA-N 0 3 350.375 2.416 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000041860047 540036775 /nfs/dbraw/zinc/03/67/75/540036775.db2.gz DKANQFPDSPWACX-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000045410187 540212125 /nfs/dbraw/zinc/21/21/25/540212125.db2.gz CRAHWGQZUZSROD-UHFFFAOYSA-N 0 3 373.457 2.053 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000047147712 540292822 /nfs/dbraw/zinc/29/28/22/540292822.db2.gz CZWDWTZSRFOLML-AWEZNQCLSA-N 0 3 357.414 2.242 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000053992119 540562789 /nfs/dbraw/zinc/56/27/89/540562789.db2.gz XTHXKACLSIVNIM-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000057843589 540818919 /nfs/dbraw/zinc/81/89/19/540818919.db2.gz PIHFIZPWCHEMAD-ZDUSSCGKSA-N 0 3 363.439 2.478 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H](C)C1 ZINC000067137258 541422447 /nfs/dbraw/zinc/42/24/47/541422447.db2.gz OAQHGEYTMLERQO-KGLIPLIRSA-N 0 3 372.429 2.026 20 5 FEBDHN O=C(CN1CCC[C@@H]1CN1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069033465 541650513 /nfs/dbraw/zinc/65/05/13/541650513.db2.gz CVMFMWVVCAGKBX-GOSISDBHSA-N 0 3 372.469 2.434 20 5 FEBDHN CC(C)NC(=O)c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000073869226 542009142 /nfs/dbraw/zinc/00/91/42/542009142.db2.gz ZYJGDVYFJXBEHF-UHFFFAOYSA-N 0 3 369.425 2.455 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000074449187 542085577 /nfs/dbraw/zinc/08/55/77/542085577.db2.gz UQHUABAXPIAYCG-UHFFFAOYSA-N 0 3 353.382 2.463 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000077140535 542348322 /nfs/dbraw/zinc/34/83/22/542348322.db2.gz QOKNZARGHOWKBJ-CYBMUJFWSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000077140535 542348327 /nfs/dbraw/zinc/34/83/27/542348327.db2.gz QOKNZARGHOWKBJ-CYBMUJFWSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000077451314 542383226 /nfs/dbraw/zinc/38/32/26/542383226.db2.gz FMBXTIFUIOYZOC-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN CCOc1cc(NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641110 542876311 /nfs/dbraw/zinc/87/63/11/542876311.db2.gz AEYAWBAULAAPDZ-MRXNPFEDSA-N 0 3 364.446 2.348 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000094127874 542953056 /nfs/dbraw/zinc/95/30/56/542953056.db2.gz IFHKZBOBRRHEGE-UHFFFAOYSA-N 0 3 362.474 2.230 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000106363925 543225763 /nfs/dbraw/zinc/22/57/63/543225763.db2.gz RCQJNFPTQQFTJR-GFCCVEGCSA-N 0 3 350.375 2.286 20 5 FEBDHN COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000109070873 543312966 /nfs/dbraw/zinc/31/29/66/543312966.db2.gz CRJZVPOMEUYOHK-AWEZNQCLSA-N 0 3 373.413 2.161 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112921746 543468367 /nfs/dbraw/zinc/46/83/67/543468367.db2.gz JMUUFPJQUVUFAQ-AWEZNQCLSA-N 0 3 373.457 2.080 20 5 FEBDHN Cc1cccc(C(=O)NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000124213656 543807121 /nfs/dbraw/zinc/80/71/21/543807121.db2.gz CUKDTZJSJMZJNN-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124703574 543838068 /nfs/dbraw/zinc/83/80/68/543838068.db2.gz ZNRFJFZCTLCFQF-OCCSQVGLSA-N 0 3 372.429 2.039 20 5 FEBDHN Cc1sc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000124744787 543840676 /nfs/dbraw/zinc/84/06/76/543840676.db2.gz CASLOPHNDFBEQM-GFCCVEGCSA-N 0 3 361.489 2.460 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130255480 544144231 /nfs/dbraw/zinc/14/42/31/544144231.db2.gz JJOWTDBDLTWWIL-INIZCTEOSA-N 0 3 374.441 2.188 20 5 FEBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000131986834 544214619 /nfs/dbraw/zinc/21/46/19/544214619.db2.gz PSZUEEFEQAMOQO-SECBINFHSA-N 0 3 354.823 2.338 20 5 FEBDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1O2 ZINC000134992036 544330350 /nfs/dbraw/zinc/33/03/50/544330350.db2.gz JFGLKLPEQKZPRP-CYBMUJFWSA-N 0 3 371.397 2.036 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000149911083 544460274 /nfs/dbraw/zinc/46/02/74/544460274.db2.gz LYZASFASCSNTQT-YOEHRIQHSA-N 0 3 371.441 2.442 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000152488572 544661073 /nfs/dbraw/zinc/66/10/73/544661073.db2.gz XHDRAWNNWLZMRY-AWEZNQCLSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN1CCCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152850944 544703309 /nfs/dbraw/zinc/70/33/09/544703309.db2.gz IQFIFDDELSNQDA-CYBMUJFWSA-N 0 3 370.475 2.131 20 5 FEBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCc1ccccn1 ZINC000152970843 544717042 /nfs/dbraw/zinc/71/70/42/544717042.db2.gz ICIJOXOKLPAXSY-UHFFFAOYSA-N 0 3 356.382 2.462 20 5 FEBDHN CC[C@H]1Oc2cc([C@H](C)NCCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004967 327667766 /nfs/dbraw/zinc/66/77/66/327667766.db2.gz HXFFOEMQQZTXNV-SMDDNHRTSA-N 0 3 359.386 2.252 20 5 FEBDHN CC[C@@H]1Oc2cc([C@H](C)NCCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004673 327667782 /nfs/dbraw/zinc/66/77/82/327667782.db2.gz XJNAHBSTVSSLGG-NHYWBVRUSA-N 0 3 359.386 2.252 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180210468 327676614 /nfs/dbraw/zinc/67/66/14/327676614.db2.gz LJMSNGOQUCLTER-UHFFFAOYSA-N 0 3 357.366 2.315 20 5 FEBDHN C[C@@](CO)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181905080 327752021 /nfs/dbraw/zinc/75/20/21/327752021.db2.gz KGSBIIUREDGLRF-KRWDZBQOSA-N 0 3 370.471 2.289 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000182947861 327794786 /nfs/dbraw/zinc/79/47/86/327794786.db2.gz WCIRTQSUQAONDK-CYBMUJFWSA-N 0 3 371.434 2.149 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187186885 328007803 /nfs/dbraw/zinc/00/78/03/328007803.db2.gz JXFYKGKEDHQBIA-FZKQIMNGSA-N 0 3 359.430 2.297 20 5 FEBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000187457983 328027051 /nfs/dbraw/zinc/02/70/51/328027051.db2.gz DOXQEZGBCZZBCN-KRWDZBQOSA-N 0 3 369.425 2.212 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192959405 328349210 /nfs/dbraw/zinc/34/92/10/328349210.db2.gz APRIVXZHPRUOSQ-AWEZNQCLSA-N 0 3 355.398 2.023 20 5 FEBDHN C[N@@H+]1CCCN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000193431590 328375317 /nfs/dbraw/zinc/37/53/17/328375317.db2.gz LRXCVJXQLJGQAY-UHFFFAOYSA-N 0 3 371.397 2.090 20 5 FEBDHN C[N@H+]1CCCN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000193431590 328375319 /nfs/dbraw/zinc/37/53/19/328375319.db2.gz LRXCVJXQLJGQAY-UHFFFAOYSA-N 0 3 371.397 2.090 20 5 FEBDHN COc1cccc2c1CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000193709296 328390885 /nfs/dbraw/zinc/39/08/85/328390885.db2.gz SNJBLEWZZIOHGS-QGZVFWFLSA-N 0 3 372.421 2.444 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)CN2CCCC2)c1C ZINC000119777538 326197199 /nfs/dbraw/zinc/19/71/99/326197199.db2.gz FTBIORBQVVCDQF-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120523245 326266028 /nfs/dbraw/zinc/26/60/28/326266028.db2.gz JGLMBQBQNRLIIF-AAEUAGOBSA-N 0 3 351.403 2.024 20 5 FEBDHN CCC(CC)(CNCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(=O)OC ZINC000120852053 326293380 /nfs/dbraw/zinc/29/33/80/326293380.db2.gz WSKNORVWTDYFPS-UHFFFAOYSA-N 0 3 363.414 2.053 20 5 FEBDHN Cc1ccc(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000126807288 326495549 /nfs/dbraw/zinc/49/55/49/326495549.db2.gz UVMDHYVCJWTTRX-MRXNPFEDSA-N 0 3 373.409 2.457 20 5 FEBDHN COCCCN1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000126928513 326497576 /nfs/dbraw/zinc/49/75/76/326497576.db2.gz NXYWNQMNQKEQFG-UHFFFAOYSA-N 0 3 374.441 2.236 20 5 FEBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129994435 326549723 /nfs/dbraw/zinc/54/97/23/326549723.db2.gz FYQXQUIKKOJTNR-UHFFFAOYSA-N 0 3 357.370 2.029 20 5 FEBDHN O=C(C[C@@H]1CSCCN1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000133084622 326602892 /nfs/dbraw/zinc/60/28/92/326602892.db2.gz AFWKQYHNNNMFGM-CYBMUJFWSA-N 0 3 365.455 2.060 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151637163 326687416 /nfs/dbraw/zinc/68/74/16/326687416.db2.gz IKKPPAXTJWHRLC-GFCCVEGCSA-N 0 3 373.862 2.355 20 5 FEBDHN CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000151697098 326688824 /nfs/dbraw/zinc/68/88/24/326688824.db2.gz FKGLWZLKCSCJRL-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(CCO)CC1 ZINC000160008300 326950413 /nfs/dbraw/zinc/95/04/13/326950413.db2.gz QVWZIRHSYBLGCQ-UHFFFAOYSA-N 0 3 367.471 2.141 20 5 FEBDHN CC[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160999391 326984646 /nfs/dbraw/zinc/98/46/46/326984646.db2.gz OXXMHLABPHLTJM-QGZVFWFLSA-N 0 3 370.409 2.051 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713253 327095196 /nfs/dbraw/zinc/09/51/96/327095196.db2.gz RAONSGDHWVFUDW-AWEZNQCLSA-N 0 3 362.430 2.102 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000171368677 327135177 /nfs/dbraw/zinc/13/51/77/327135177.db2.gz SMZKQHQOIMRJHB-HNNXBMFYSA-N 0 3 359.430 2.475 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171562514 327145699 /nfs/dbraw/zinc/14/56/99/327145699.db2.gz NCPXUKUTPSQPOT-UHFFFAOYSA-N 0 3 357.414 2.194 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000173842108 327288355 /nfs/dbraw/zinc/28/83/55/327288355.db2.gz XNXVJSJHGONKFZ-DZGCQCFKSA-N 0 3 353.444 2.231 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000173864640 327289591 /nfs/dbraw/zinc/28/95/91/327289591.db2.gz FKEDALKAYKEVCV-AWEZNQCLSA-N 0 3 353.444 2.138 20 5 FEBDHN CCOc1ccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174708720 327344647 /nfs/dbraw/zinc/34/46/47/327344647.db2.gz KZJCKZNTGMGTDI-WMZOPIPTSA-N 0 3 360.414 2.388 20 5 FEBDHN Cc1ccc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000174737175 327347125 /nfs/dbraw/zinc/34/71/25/327347125.db2.gz BQXMYPAIAKKCPY-QGZVFWFLSA-N 0 3 374.441 2.312 20 5 FEBDHN Cc1nn(C)c(C(=O)Nc2ccccc2NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264217321 329001100 /nfs/dbraw/zinc/00/11/00/329001100.db2.gz VCFGDOOZUPLIPW-UHFFFAOYSA-N 0 3 372.429 2.395 20 5 FEBDHN Cc1nn(C)c(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000264253037 329004916 /nfs/dbraw/zinc/00/49/16/329004916.db2.gz LDCHHRZETBDVTO-UHFFFAOYSA-N 0 3 359.430 2.206 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264668561 329046587 /nfs/dbraw/zinc/04/65/87/329046587.db2.gz ZYJHYTPFOJCJDS-ZDUSSCGKSA-N 0 3 351.378 2.200 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000265531919 329136342 /nfs/dbraw/zinc/13/63/42/329136342.db2.gz UXAXSTQMEGODQT-UHFFFAOYSA-N 0 3 350.375 2.052 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265982065 329179129 /nfs/dbraw/zinc/17/91/29/329179129.db2.gz ZERXISPRBAGUFG-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265998471 329180250 /nfs/dbraw/zinc/18/02/50/329180250.db2.gz ORLXNSKAPBYVHQ-XOPPTJLZSA-N 0 3 363.414 2.334 20 5 FEBDHN COCCCN(C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000266180473 329197703 /nfs/dbraw/zinc/19/77/03/329197703.db2.gz XRKJFXRZMIYZQC-CYBMUJFWSA-N 0 3 355.460 2.160 20 5 FEBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266229054 329202717 /nfs/dbraw/zinc/20/27/17/329202717.db2.gz TXDDTTOZKSJKQI-HNNXBMFYSA-N 0 3 369.425 2.047 20 5 FEBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000266525609 329232810 /nfs/dbraw/zinc/23/28/10/329232810.db2.gz BECHKYATCMYMMA-PKOBYXMFSA-N 0 3 360.410 2.390 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267074281 329289332 /nfs/dbraw/zinc/28/93/32/329289332.db2.gz FDPXLMVJNOKKAB-HNNXBMFYSA-N 0 3 355.485 2.484 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCSC1 ZINC000267136234 329295484 /nfs/dbraw/zinc/29/54/84/329295484.db2.gz SRJFNPDXDPVNFX-QGZVFWFLSA-N 0 3 364.471 2.336 20 5 FEBDHN CN(C)[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267340197 329316605 /nfs/dbraw/zinc/31/66/05/329316605.db2.gz SSPIRILMNUJNHG-HNNXBMFYSA-N 0 3 357.863 2.344 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369641 329320098 /nfs/dbraw/zinc/32/00/98/329320098.db2.gz FUJMOPOLINRSLX-YJBOKZPZSA-N 0 3 371.441 2.208 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271965230 329741052 /nfs/dbraw/zinc/74/10/52/329741052.db2.gz GNRXTMWXNVSKOM-ZFWWWQNUSA-N 0 3 374.846 2.074 20 5 FEBDHN COCCN(CCN(C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272612550 329797172 /nfs/dbraw/zinc/79/71/72/329797172.db2.gz ZSHRXADZMQBRGJ-UHFFFAOYSA-N 0 3 372.853 2.010 20 5 FEBDHN COCCN(CCN(C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273866401 329898510 /nfs/dbraw/zinc/89/85/10/329898510.db2.gz NKLCFIWBJLEMSU-UHFFFAOYSA-N 0 3 355.410 2.048 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274037360 329910400 /nfs/dbraw/zinc/91/04/00/329910400.db2.gz MZBHILJITOBGKZ-HZPDHXFCSA-N 0 3 364.471 2.045 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746178 330084228 /nfs/dbraw/zinc/08/42/28/330084228.db2.gz UGIPGSFXZOVCHE-GFCCVEGCSA-N 0 3 358.402 2.097 20 5 FEBDHN Cc1n[n-]c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746178 330084230 /nfs/dbraw/zinc/08/42/30/330084230.db2.gz UGIPGSFXZOVCHE-GFCCVEGCSA-N 0 3 358.402 2.097 20 5 FEBDHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158576 330273979 /nfs/dbraw/zinc/27/39/79/330273979.db2.gz KAONZHUYWIONEC-JOYOIKCWSA-N 0 3 372.219 2.310 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247559984 549357171 /nfs/dbraw/zinc/35/71/71/549357171.db2.gz ZNRFJFZCTLCFQF-JSGCOSHPSA-N 0 3 372.429 2.039 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158407653 545858314 /nfs/dbraw/zinc/85/83/14/545858314.db2.gz FEDOAPYAXYIXQU-HIFRSBDPSA-N 0 3 357.414 2.193 20 5 FEBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000158964019 545909346 /nfs/dbraw/zinc/90/93/46/545909346.db2.gz IOBXKVRVUDBTOL-HNNXBMFYSA-N 0 3 367.471 2.074 20 5 FEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160212547 546017896 /nfs/dbraw/zinc/01/78/96/546017896.db2.gz VDWGDFAACFXZON-HNNXBMFYSA-N 0 3 369.487 2.321 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000160787866 546072364 /nfs/dbraw/zinc/07/23/64/546072364.db2.gz SGZJPLCEQRXRTR-QGZVFWFLSA-N 0 3 369.425 2.062 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176000908 546388295 /nfs/dbraw/zinc/38/82/95/546388295.db2.gz LLOVBOSSFRPBTM-CQSZACIVSA-N 0 3 364.446 2.374 20 5 FEBDHN CN(C)CCN(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000176803796 546490710 /nfs/dbraw/zinc/49/07/10/546490710.db2.gz RFROVXIGTSAGSO-UHFFFAOYSA-N 0 3 362.352 2.436 20 5 FEBDHN COCCN(C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176981474 546518235 /nfs/dbraw/zinc/51/82/35/546518235.db2.gz HVKQVCJDHCZDQX-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177142654 546553772 /nfs/dbraw/zinc/55/37/72/546553772.db2.gz KTDXFAVYKSMJFE-QWHCGFSZSA-N 0 3 355.398 2.136 20 5 FEBDHN COc1cnccc1N1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000481038703 561223615 /nfs/dbraw/zinc/22/36/15/561223615.db2.gz QOHNEFPCXGVPTD-UHFFFAOYSA-N 0 3 362.361 2.473 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000177759152 546681802 /nfs/dbraw/zinc/68/18/02/546681802.db2.gz QKGAZLLPURPZPJ-KGLIPLIRSA-N 0 3 363.414 2.067 20 5 FEBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505932 546966613 /nfs/dbraw/zinc/96/66/13/546966613.db2.gz YGCQKEKBFPFDPB-CQSZACIVSA-N 0 3 370.413 2.069 20 5 FEBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000179505932 546966615 /nfs/dbraw/zinc/96/66/15/546966615.db2.gz YGCQKEKBFPFDPB-CQSZACIVSA-N 0 3 370.413 2.069 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181257429 547281584 /nfs/dbraw/zinc/28/15/84/547281584.db2.gz HMKSVNQTEPHGTH-CQSZACIVSA-N 0 3 366.368 2.490 20 5 FEBDHN O=C(CCN1CCS[C@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000181745796 547373345 /nfs/dbraw/zinc/37/33/45/547373345.db2.gz MIDCTNGZUAXHMG-GJZGRUSLSA-N 0 3 369.418 2.269 20 5 FEBDHN CN1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183554341 547680490 /nfs/dbraw/zinc/68/04/90/547680490.db2.gz MTEDFQVNPJJONE-UHFFFAOYSA-N 0 3 370.413 2.330 20 5 FEBDHN O=C(CN[C@H](CCO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183720331 547706748 /nfs/dbraw/zinc/70/67/48/547706748.db2.gz XDAYOSYAIYJCDZ-QGZVFWFLSA-N 0 3 361.442 2.405 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000183763840 547714894 /nfs/dbraw/zinc/71/48/94/547714894.db2.gz SIDCHUQQOWNHKP-INIZCTEOSA-N 0 3 355.394 2.091 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000184379359 547817354 /nfs/dbraw/zinc/81/73/54/547817354.db2.gz AXJBXNZXFRZGRH-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195666934 548656817 /nfs/dbraw/zinc/65/68/17/548656817.db2.gz PXFKIQSLKQFPFR-CHWSQXEVSA-N 0 3 370.475 2.035 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245778275 548993895 /nfs/dbraw/zinc/99/38/95/548993895.db2.gz QCDVQPQMTCYAHY-ZIEJDFEHSA-N 0 3 363.414 2.478 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000247252788 549307919 /nfs/dbraw/zinc/30/79/19/549307919.db2.gz ZTOIUTLYRQMEHM-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN O=C(CCN1CCS[C@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248571811 549460924 /nfs/dbraw/zinc/46/09/24/549460924.db2.gz MIDCTNGZUAXHMG-CABCVRRESA-N 0 3 369.418 2.269 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000249734457 549621141 /nfs/dbraw/zinc/62/11/41/549621141.db2.gz CXNFDUNTVYWELB-QWHCGFSZSA-N 0 3 365.430 2.462 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@H](OC)C1 ZINC000252012485 549661751 /nfs/dbraw/zinc/66/17/51/549661751.db2.gz XUEJIGSJNFNCPA-MLGOLLRUSA-N 0 3 351.403 2.289 20 5 FEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253552280 549695283 /nfs/dbraw/zinc/69/52/83/549695283.db2.gz YTEKONVNLVVDCG-MEDUHNTESA-N 0 3 358.398 2.307 20 5 FEBDHN CN1CCN(CCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000263754185 549931183 /nfs/dbraw/zinc/93/11/83/549931183.db2.gz PORUXBIUIZYWLE-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000493686748 561457631 /nfs/dbraw/zinc/45/76/31/561457631.db2.gz VEXDCMUAZMQZLX-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CS[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N(C)C ZINC000270683060 550296372 /nfs/dbraw/zinc/29/63/72/550296372.db2.gz VJVUMYHSRAUSHQ-ZIAGYGMSSA-N 0 3 363.443 2.122 20 5 FEBDHN COCCCN1CCC(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271751404 550399843 /nfs/dbraw/zinc/39/98/43/550399843.db2.gz YUJUOVYZELJVDJ-AWEZNQCLSA-N 0 3 364.446 2.456 20 5 FEBDHN COc1cc(CNCCc2n[nH]c(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272585666 550459156 /nfs/dbraw/zinc/45/91/56/550459156.db2.gz YYILEFZXJCMDJC-UHFFFAOYSA-N 0 3 371.344 2.006 20 5 FEBDHN COc1cc(CNCCc2nc(C)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272585666 550459157 /nfs/dbraw/zinc/45/91/57/550459157.db2.gz YYILEFZXJCMDJC-UHFFFAOYSA-N 0 3 371.344 2.006 20 5 FEBDHN C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1=CCN(C)CC1 ZINC000273056130 550482809 /nfs/dbraw/zinc/48/28/09/550482809.db2.gz XXMGOPLGQRYCDO-HNNXBMFYSA-N 0 3 373.457 2.077 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274619860 550546380 /nfs/dbraw/zinc/54/63/80/550546380.db2.gz FLHIMOMFGNHXLF-OAHLLOKOSA-N 0 3 359.430 2.215 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277732050 550707629 /nfs/dbraw/zinc/70/76/29/550707629.db2.gz OHJFJZVUQFIQLR-CHWSQXEVSA-N 0 3 374.445 2.391 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495689 550792618 /nfs/dbraw/zinc/79/26/18/550792618.db2.gz AAHZNUZEOPYDTR-LZQZEXGQSA-N 0 3 371.437 2.421 20 5 FEBDHN COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279114387 550855562 /nfs/dbraw/zinc/85/55/62/550855562.db2.gz SWZITRSTBDWLOR-HOCLYGCPSA-N 0 3 351.403 2.015 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000279154023 550859422 /nfs/dbraw/zinc/85/94/22/550859422.db2.gz HPFPYZBHVSQHDV-RYUDHWBXSA-N 0 3 352.410 2.355 20 5 FEBDHN C[C@H]1OCC[C@@]12CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969347 550948152 /nfs/dbraw/zinc/94/81/52/550948152.db2.gz YUJKKLYQPZSVKY-HBUWYVDXSA-N 0 3 363.414 2.192 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1N(C)C ZINC000495657241 561489953 /nfs/dbraw/zinc/48/99/53/561489953.db2.gz SSVBEMVFRBSPCM-HZPDHXFCSA-N 0 3 362.455 2.054 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(CCOC(C)C)CC2)n1 ZINC000281220646 551074964 /nfs/dbraw/zinc/07/49/64/551074964.db2.gz RDDPPYNIUMZZGC-UHFFFAOYSA-N 0 3 366.418 2.078 20 5 FEBDHN CN1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271740 551512359 /nfs/dbraw/zinc/51/23/59/551512359.db2.gz MUXWWSDOZLCLJW-AEFFLSMTSA-N 0 3 354.410 2.229 20 5 FEBDHN COc1ccc(CSCC(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000498638541 561530691 /nfs/dbraw/zinc/53/06/91/561530691.db2.gz MPTYBRPIKHJNFR-ZDUSSCGKSA-N 0 3 353.444 2.047 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286190704 551859275 /nfs/dbraw/zinc/85/92/75/551859275.db2.gz FCOQAUDFIUDITF-GFCCVEGCSA-N 0 3 364.475 2.285 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000499343025 561549359 /nfs/dbraw/zinc/54/93/59/561549359.db2.gz IERXVLUJKHKKDI-UHFFFAOYSA-N 0 3 352.341 2.405 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000288128239 552096362 /nfs/dbraw/zinc/09/63/62/552096362.db2.gz KMXHUZOMBXQMLH-ZBFHGGJFSA-N 0 3 374.441 2.235 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288380327 552143907 /nfs/dbraw/zinc/14/39/07/552143907.db2.gz VICXAFKKJMASNM-PBHICJAKSA-N 0 3 371.441 2.269 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000289433918 552320927 /nfs/dbraw/zinc/32/09/27/552320927.db2.gz SKHDGRXLTRGNJI-QGZVFWFLSA-N 0 3 357.410 2.356 20 5 FEBDHN CCOCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289823457 552384366 /nfs/dbraw/zinc/38/43/66/552384366.db2.gz JJSNBMAURLDFOP-UHFFFAOYSA-N 0 3 350.156 2.326 20 5 FEBDHN NC(=O)c1ccnc(NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000290589675 552503019 /nfs/dbraw/zinc/50/30/19/552503019.db2.gz XHRMHEZTAHLLRR-GFCCVEGCSA-N 0 3 361.427 2.399 20 5 FEBDHN C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000290779416 552536909 /nfs/dbraw/zinc/53/69/09/552536909.db2.gz MRHVJIOQLAVMBD-AWEZNQCLSA-N 0 3 369.425 2.190 20 5 FEBDHN COc1cc(OCC(=O)Nc2ccc3c(c2)CNCCO3)ccc1[N+](=O)[O-] ZINC000291116790 552588779 /nfs/dbraw/zinc/58/87/79/552588779.db2.gz UIAXGIBFCXNDKH-UHFFFAOYSA-N 0 3 373.365 2.103 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291618463 552644063 /nfs/dbraw/zinc/64/40/63/552644063.db2.gz BZTDPIDAGSPSHN-OAHLLOKOSA-N 0 3 373.862 2.273 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000292171197 552701149 /nfs/dbraw/zinc/70/11/49/552701149.db2.gz PSAPJTMDYFXGQH-NVXWUHKLSA-N 0 3 350.415 2.083 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1OC ZINC000292274003 552711201 /nfs/dbraw/zinc/71/12/01/552711201.db2.gz QLZVWJWZDPXFMC-SFHVURJKSA-N 0 3 363.414 2.170 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCCN(CCCO)C2)c1 ZINC000295045123 552953638 /nfs/dbraw/zinc/95/36/38/552953638.db2.gz FEKHTBPEQOGAKE-ZDUSSCGKSA-N 0 3 359.373 2.133 20 5 FEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295165892 552965231 /nfs/dbraw/zinc/96/52/31/552965231.db2.gz STIGWSZPEUGKTC-HEWZJLJBSA-N 0 3 365.430 2.425 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000502524628 561620381 /nfs/dbraw/zinc/62/03/81/561620381.db2.gz IMBJZBPTQDMMTH-DLBZAZTESA-N 0 3 361.442 2.194 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855136 561628017 /nfs/dbraw/zinc/62/80/17/561628017.db2.gz JNOVKKNKCYTXHF-SCRDCRAPSA-N 0 3 351.403 2.071 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296937620 553232291 /nfs/dbraw/zinc/23/22/91/553232291.db2.gz XIRITZNFXHDBKI-CYBMUJFWSA-N 0 3 364.402 2.004 20 5 FEBDHN CNCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000297218316 553265321 /nfs/dbraw/zinc/26/53/21/553265321.db2.gz NWNZJECDJUUGJL-UHFFFAOYSA-N 0 3 370.409 2.403 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000297306813 553276132 /nfs/dbraw/zinc/27/61/32/553276132.db2.gz HUQOQDUYSWFOHC-UHFFFAOYSA-N 0 3 360.418 2.059 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000297326016 553278653 /nfs/dbraw/zinc/27/86/53/553278653.db2.gz HKWFWDRSMFLKIT-CQSZACIVSA-N 0 3 350.419 2.126 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C2CCOCC2)CC1 ZINC000297403533 553287827 /nfs/dbraw/zinc/28/78/27/553287827.db2.gz FXTSKBZHGQMDPN-UHFFFAOYSA-N 0 3 372.425 2.453 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000297442789 553292677 /nfs/dbraw/zinc/29/26/77/553292677.db2.gz RTRAAJHOJWWEKF-SFHVURJKSA-N 0 3 362.430 2.231 20 5 FEBDHN C[C@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000298070558 553380126 /nfs/dbraw/zinc/38/01/26/553380126.db2.gz GZHYJJJWYSZWGK-VIFPVBQESA-N 0 3 362.308 2.024 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000298152819 553390885 /nfs/dbraw/zinc/39/08/85/553390885.db2.gz BEOIJURIMBCHTE-GOSISDBHSA-N 0 3 372.429 2.098 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000298152823 553391053 /nfs/dbraw/zinc/39/10/53/553391053.db2.gz BEOIJURIMBCHTE-SFHVURJKSA-N 0 3 372.429 2.098 20 5 FEBDHN Cc1nn(C)c(NCCCN2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301071541 553618961 /nfs/dbraw/zinc/61/89/61/553618961.db2.gz DCHOTQBNEFJQIV-KRWDZBQOSA-N 0 3 372.473 2.427 20 5 FEBDHN C[C@@H]1CCCN(C(C)(C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301162604 553627604 /nfs/dbraw/zinc/62/76/04/553627604.db2.gz HQRIEHOPBJTVAH-GFCCVEGCSA-N 0 3 370.475 2.165 20 5 FEBDHN CC1CCN(C[C@H](O)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301706072 553672906 /nfs/dbraw/zinc/67/29/06/553672906.db2.gz VMKUXHBJZXTDQB-GFCCVEGCSA-N 0 3 373.251 2.257 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000332091776 554378730 /nfs/dbraw/zinc/37/87/30/554378730.db2.gz VVGJFHZTCWEVPU-ZBFHGGJFSA-N 0 3 367.471 2.459 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000332107845 554381672 /nfs/dbraw/zinc/38/16/72/554381672.db2.gz ZYDHARYODNMEIT-ZBFHGGJFSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000332197835 554399364 /nfs/dbraw/zinc/39/93/64/554399364.db2.gz DZHVPOUFNNPTIW-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253151 554410699 /nfs/dbraw/zinc/41/06/99/554410699.db2.gz MILHXGSESGUVKZ-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362396977 554969365 /nfs/dbraw/zinc/96/93/65/554969365.db2.gz QEYTZZJMICZCNU-KBPBESRZSA-N 0 3 365.455 2.300 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(n2cncn2)CC1 ZINC000363103328 555031002 /nfs/dbraw/zinc/03/10/02/555031002.db2.gz HAQJCNXJHVLSKL-UHFFFAOYSA-N 0 3 358.402 2.160 20 5 FEBDHN COCCCN1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000364581084 555344621 /nfs/dbraw/zinc/34/46/21/555344621.db2.gz OSJLHBKPROYIMB-UHFFFAOYSA-N 0 3 365.430 2.096 20 5 FEBDHN COc1cc(CN2CC[C@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1OC ZINC000364654233 555364100 /nfs/dbraw/zinc/36/41/00/555364100.db2.gz MVWQZMSXJHBEJH-SFHVURJKSA-N 0 3 363.414 2.056 20 5 FEBDHN C[C@@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000512658891 561911642 /nfs/dbraw/zinc/91/16/42/561911642.db2.gz ATNOINRZRPOIAP-MCIONIFRSA-N 0 3 355.460 2.287 20 5 FEBDHN CCOc1cc(CN2CC[C@@H](N3CCN(CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000365174950 555502623 /nfs/dbraw/zinc/50/26/23/555502623.db2.gz FHKVRZLZRQDCTP-QGZVFWFLSA-N 0 3 362.474 2.205 20 5 FEBDHN C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[n-]3)c2)C[C@@H](C)O1 ZINC000513377697 561935986 /nfs/dbraw/zinc/93/59/86/561935986.db2.gz VYFQPHKUDUPEGF-VXGBXAGGSA-N 0 3 359.386 2.179 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794935 555668586 /nfs/dbraw/zinc/66/85/86/555668586.db2.gz LWQJQTXLYHQWLB-CJNGLKHVSA-N 0 3 364.402 2.094 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000514028384 561958354 /nfs/dbraw/zinc/95/83/54/561958354.db2.gz DLUOZTHJOYZYPP-GJZGRUSLSA-N 0 3 363.462 2.426 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCO[C@@H]3CCCCO3)C2)nc1 ZINC000514082742 561959983 /nfs/dbraw/zinc/95/99/83/561959983.db2.gz JJHKVFXSVKODIZ-RHSMWYFYSA-N 0 3 350.419 2.409 20 5 FEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000366663384 555903012 /nfs/dbraw/zinc/90/30/12/555903012.db2.gz PHUIIWWJKIJLJS-QGZVFWFLSA-N 0 3 357.414 2.019 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccccc2[C@H]1O ZINC000367308950 556014675 /nfs/dbraw/zinc/01/46/75/556014675.db2.gz RSBNALZUFNTBSU-RNRVQEDPSA-N 0 3 371.393 2.396 20 5 FEBDHN CCc1nn(C)c(NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000367529998 556075223 /nfs/dbraw/zinc/07/52/23/556075223.db2.gz YOTBGSJBLQJKNY-UHFFFAOYSA-N 0 3 351.451 2.338 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368996 556289663 /nfs/dbraw/zinc/28/96/63/556289663.db2.gz GJPYICXUZZMAAF-BBRMVZONSA-N 0 3 370.409 2.397 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368996 556289669 /nfs/dbraw/zinc/28/96/69/556289669.db2.gz GJPYICXUZZMAAF-BBRMVZONSA-N 0 3 370.409 2.397 20 5 FEBDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758126 562021125 /nfs/dbraw/zinc/02/11/25/562021125.db2.gz BMQKLKLNPKQYQD-CHWSQXEVSA-N 0 3 373.450 2.380 20 5 FEBDHN C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000515816622 562022736 /nfs/dbraw/zinc/02/27/36/562022736.db2.gz FLBLQLRNKOHPGR-KBPBESRZSA-N 0 3 372.425 2.462 20 5 FEBDHN Cc1cc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369310133 556571189 /nfs/dbraw/zinc/57/11/89/556571189.db2.gz LNGYVWBLRDBWJG-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359132 556579424 /nfs/dbraw/zinc/57/94/24/556579424.db2.gz PCIAQJWHULKICT-KWCYVHTRSA-N 0 3 353.444 2.276 20 5 FEBDHN O=C(CCN1CCc2cc[nH]c(=O)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000369610901 556647534 /nfs/dbraw/zinc/64/75/34/556647534.db2.gz FKSYOZSYNFJLJV-UHFFFAOYSA-N 0 3 360.345 2.221 20 5 FEBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC000516281814 562038627 /nfs/dbraw/zinc/03/86/27/562038627.db2.gz BESDQJXTZIZKSY-ZDUSSCGKSA-N 0 3 355.460 2.167 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000370914498 557013896 /nfs/dbraw/zinc/01/38/96/557013896.db2.gz YIUVGBQFSYGXPR-QFBILLFUSA-N 0 3 371.441 2.224 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517085323 562075181 /nfs/dbraw/zinc/07/51/81/562075181.db2.gz XAEDFBPXRKHOEI-OAHLLOKOSA-N 0 3 367.471 2.256 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281218 557130050 /nfs/dbraw/zinc/13/00/50/557130050.db2.gz BQGRBVJJKOFVMG-QFBILLFUSA-N 0 3 363.458 2.435 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371356314 557158346 /nfs/dbraw/zinc/15/83/46/557158346.db2.gz WWTBTXYNVHZPHC-NHBNWDHASA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359449 557159922 /nfs/dbraw/zinc/15/99/22/557159922.db2.gz JOSJATRYUYWBKD-RDJZCZTQSA-N 0 3 360.458 2.001 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713800 557272026 /nfs/dbraw/zinc/27/20/26/557272026.db2.gz DRBOVXQIMPMDSF-ROUUACIJSA-N 0 3 363.414 2.479 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000518046741 562103275 /nfs/dbraw/zinc/10/32/75/562103275.db2.gz RJTSBVAALKLLBX-AWEZNQCLSA-N 0 3 361.398 2.128 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000371784428 557292631 /nfs/dbraw/zinc/29/26/31/557292631.db2.gz SKRNGFUGWTUPII-UHFFFAOYSA-N 0 3 366.487 2.146 20 5 FEBDHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784303 557292666 /nfs/dbraw/zinc/29/26/66/557292666.db2.gz RGJKKDGUWXTOKY-SWLSCSKDSA-N 0 3 365.405 2.207 20 5 FEBDHN CCCN1CCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518648308 562115998 /nfs/dbraw/zinc/11/59/98/562115998.db2.gz ZNSRPJUAEWRBBE-AWEZNQCLSA-N 0 3 365.430 2.145 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C2CCOCC2)CC1 ZINC000372345183 557446156 /nfs/dbraw/zinc/44/61/56/557446156.db2.gz FYDIMIPNFRVCOB-QGZVFWFLSA-N 0 3 364.442 2.473 20 5 FEBDHN COCCN(C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000520463444 562157053 /nfs/dbraw/zinc/15/70/53/562157053.db2.gz LHJZTWMKTNLZBD-KRWDZBQOSA-N 0 3 374.441 2.373 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000373986500 557801568 /nfs/dbraw/zinc/80/15/68/557801568.db2.gz QRLGVELSIDYRSY-UHFFFAOYSA-N 0 3 353.444 2.091 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760726 562163113 /nfs/dbraw/zinc/16/31/13/562163113.db2.gz GMBOSFXVONHWAF-STQMWFEESA-N 0 3 363.414 2.359 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374055966 557814808 /nfs/dbraw/zinc/81/48/08/557814808.db2.gz WVGBKTREZPXABU-CYBMUJFWSA-N 0 3 358.402 2.230 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnn(CCN2CCCCC2)c1 ZINC000374478054 557889244 /nfs/dbraw/zinc/88/92/44/557889244.db2.gz ASBJCEJWRYHCOG-UHFFFAOYSA-N 0 3 373.413 2.295 20 5 FEBDHN COCCCN1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000375121625 557980739 /nfs/dbraw/zinc/98/07/39/557980739.db2.gz STGPWNLLQLRVBY-UHFFFAOYSA-N 0 3 355.410 2.287 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377543 558017768 /nfs/dbraw/zinc/01/77/68/558017768.db2.gz GGDOAQOMOLZQSR-HUUCEWRRSA-N 0 3 364.450 2.012 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000377814401 558425518 /nfs/dbraw/zinc/42/55/18/558425518.db2.gz NSKSYJAGPIRDTE-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN CCc1nn(C)c(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000378365280 558539718 /nfs/dbraw/zinc/53/97/18/558539718.db2.gz IZIKZZBWMOVBEU-UMVBOHGHSA-N 0 3 351.451 2.192 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000378369087 558540885 /nfs/dbraw/zinc/54/08/85/558540885.db2.gz IXEPTCWIGNQHKK-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411533205 558912018 /nfs/dbraw/zinc/91/20/18/558912018.db2.gz AIKWTDZHSNTVRB-CQSZACIVSA-N 0 3 364.446 2.387 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411550588 558915395 /nfs/dbraw/zinc/91/53/95/558915395.db2.gz KLJRLGNZAUQWRW-CQSZACIVSA-N 0 3 364.446 2.387 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000411587334 558923807 /nfs/dbraw/zinc/92/38/07/558923807.db2.gz DNZWBHQFWMAZFN-AWEZNQCLSA-N 0 3 362.430 2.091 20 5 FEBDHN C[C@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755315 558957046 /nfs/dbraw/zinc/95/70/46/558957046.db2.gz IKGVXSZKRIZIJH-ACJLOTCBSA-N 0 3 370.409 2.171 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412340763 559028985 /nfs/dbraw/zinc/02/89/85/559028985.db2.gz DPWIUCSDCVPVNN-LBPRGKRZSA-N 0 3 353.394 2.276 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(C(C)C)C2)c1F ZINC000412407678 559033691 /nfs/dbraw/zinc/03/36/91/559033691.db2.gz FKNYTQDBCPEJBU-LBPRGKRZSA-N 0 3 353.394 2.226 20 5 FEBDHN COC(=O)C1CCN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413056751 559073571 /nfs/dbraw/zinc/07/35/71/559073571.db2.gz WABNZHZAWQMXNZ-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413824609 559132743 /nfs/dbraw/zinc/13/27/43/559132743.db2.gz WRTGAZSPZXGPDQ-SJORKVTESA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1c(CS(=O)(=O)C2C[C@H]3CCCC[C@H]3NC2=O)cccc1[N+](=O)[O-] ZINC000414421090 559162982 /nfs/dbraw/zinc/16/29/82/559162982.db2.gz XFZRNYYMSBNPBE-XNRPHZJLSA-N 0 3 366.439 2.265 20 5 FEBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414967319 559197695 /nfs/dbraw/zinc/19/76/95/559197695.db2.gz BAWADCPBZLRSIY-SFHVURJKSA-N 0 3 369.469 2.356 20 5 FEBDHN COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1OCCN(C)C ZINC000416344627 559306717 /nfs/dbraw/zinc/30/67/17/559306717.db2.gz VRHXLLDSWSCDFM-UHFFFAOYSA-N 0 3 374.397 2.500 20 5 FEBDHN CN(C)C(=O)c1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418027383 559387111 /nfs/dbraw/zinc/38/71/11/559387111.db2.gz GLJQPHBRQNERMQ-UHFFFAOYSA-N 0 3 357.414 2.330 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCCN(C)C ZINC000421910646 559556170 /nfs/dbraw/zinc/55/61/70/559556170.db2.gz QCDVDZLRNXIEQQ-UHFFFAOYSA-N 0 3 372.425 2.477 20 5 FEBDHN COc1cc(CCNC(=O)[C@@H]2NCCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000422949681 559612626 /nfs/dbraw/zinc/61/26/26/559612626.db2.gz VUWLADPUSHVZQI-INIZCTEOSA-N 0 3 365.430 2.049 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc([N+](=O)[O-])c1C ZINC000423603266 559633660 /nfs/dbraw/zinc/63/36/60/559633660.db2.gz DYHKMJLOOPXKPW-JKSUJKDBSA-N 0 3 355.394 2.479 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471900 559704105 /nfs/dbraw/zinc/70/41/05/559704105.db2.gz HRWVNMASAPVVEY-QGZVFWFLSA-N 0 3 364.446 2.204 20 5 FEBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000426158866 559730849 /nfs/dbraw/zinc/73/08/49/559730849.db2.gz FGSLNGLQWXUAQO-UHFFFAOYSA-N 0 3 362.474 2.393 20 5 FEBDHN COCCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000427757300 559761713 /nfs/dbraw/zinc/76/17/13/559761713.db2.gz JXKCIYDNYJMDCD-UHFFFAOYSA-N 0 3 367.450 2.014 20 5 FEBDHN COCCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000427757300 559761714 /nfs/dbraw/zinc/76/17/14/559761714.db2.gz JXKCIYDNYJMDCD-UHFFFAOYSA-N 0 3 367.450 2.014 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCCc2ccccc2)CCN(C)C)n1 ZINC000427811991 559763242 /nfs/dbraw/zinc/76/32/42/559763242.db2.gz LIBRFQHHPMVYKU-UHFFFAOYSA-N 0 3 373.457 2.448 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000427908124 559765212 /nfs/dbraw/zinc/76/52/12/559765212.db2.gz YCSVNKYKYGJJBX-AWEZNQCLSA-N 0 3 372.425 2.370 20 5 FEBDHN CNCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000428294453 559772874 /nfs/dbraw/zinc/77/28/74/559772874.db2.gz GLGGATYZJUPLCZ-AWEZNQCLSA-N 0 3 372.381 2.151 20 5 FEBDHN CNCc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428558652 559778301 /nfs/dbraw/zinc/77/83/01/559778301.db2.gz NLXQTDIJZIWUKU-UHFFFAOYSA-N 0 3 357.366 2.267 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988667 559787607 /nfs/dbraw/zinc/78/76/07/559787607.db2.gz AKLUWSOZYNPPCB-SPYBWZPUSA-N 0 3 372.469 2.146 20 5 FEBDHN CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CCN(C)CC1 ZINC000432568070 559861046 /nfs/dbraw/zinc/86/10/46/559861046.db2.gz JQQVBOVXQBHFSO-UHFFFAOYSA-N 0 3 358.398 2.074 20 5 FEBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193608 559873146 /nfs/dbraw/zinc/87/31/46/559873146.db2.gz RKZNZSUSUMBSCV-HOTGVXAUSA-N 0 3 370.471 2.179 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000433990633 559892269 /nfs/dbraw/zinc/89/22/69/559892269.db2.gz QHNIPSPJRHPGSH-QAPCUYQASA-N 0 3 357.414 2.229 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3CCN[C@H](C)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711018 559907138 /nfs/dbraw/zinc/90/71/38/559907138.db2.gz LBRJODUFTYQVDQ-TZMCWYRMSA-N 0 3 371.441 2.279 20 5 FEBDHN CCOC(=O)[C@@]1(COC)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000439464438 559994551 /nfs/dbraw/zinc/99/45/51/559994551.db2.gz CZOALWMRQPJPTE-SFHVURJKSA-N 0 3 366.414 2.265 20 5 FEBDHN COc1ccc(NC(=O)CNC2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000440908726 560019443 /nfs/dbraw/zinc/01/94/43/560019443.db2.gz ZINRPSCMWWENND-UHFFFAOYSA-N 0 3 351.403 2.217 20 5 FEBDHN COc1cc(OCC(=O)NCCN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000444617668 560116910 /nfs/dbraw/zinc/11/69/10/560116910.db2.gz RFYRVORNZWEBQE-UHFFFAOYSA-N 0 3 365.430 2.220 20 5 FEBDHN CCc1nn(C)c(OC)c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589600 560164945 /nfs/dbraw/zinc/16/49/45/560164945.db2.gz YMENMVBREDUYDI-GJZGRUSLSA-N 0 3 362.434 2.369 20 5 FEBDHN Cc1cccc(CCNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000449098356 560216011 /nfs/dbraw/zinc/21/60/11/560216011.db2.gz IXNVSNZBKIGYDW-UHFFFAOYSA-N 0 3 363.439 2.014 20 5 FEBDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231831 /nfs/dbraw/zinc/23/18/31/560231831.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 0 3 374.485 2.361 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CN1C1CC1 ZINC000450137428 560251793 /nfs/dbraw/zinc/25/17/93/560251793.db2.gz RYHQRFBMQIURQV-DGCLKSJQSA-N 0 3 355.398 2.340 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234064 560255055 /nfs/dbraw/zinc/25/50/55/560255055.db2.gz PPNHAQPLXRFWRO-HOTGVXAUSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1nc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371277 560260406 /nfs/dbraw/zinc/26/04/06/560260406.db2.gz GBQMPDWMZMVSQK-OKILXGFUSA-N 0 3 363.462 2.409 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCN1CCCO[C@@H](C)C1 ZINC000450487595 560263796 /nfs/dbraw/zinc/26/37/96/560263796.db2.gz NIQZQRAXIOAGAH-AWEZNQCLSA-N 0 3 374.441 2.486 20 5 FEBDHN CC(=O)Nc1ccc(CN2CCC(Nc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000450785909 560273207 /nfs/dbraw/zinc/27/32/07/560273207.db2.gz ONCJRWJWIIIINQ-UHFFFAOYSA-N 0 3 372.429 2.363 20 5 FEBDHN COc1ccc(OCCN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451700963 560323037 /nfs/dbraw/zinc/32/30/37/560323037.db2.gz YZTLGRPMIIZWHH-KFWWJZLASA-N 0 3 350.415 2.465 20 5 FEBDHN O=C(CCN1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890526 560335006 /nfs/dbraw/zinc/33/50/06/560335006.db2.gz NIYZVFBKHMZVGZ-YGRLFVJLSA-N 0 3 361.320 2.169 20 5 FEBDHN COC[C@@]1(CO)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451934165 560339034 /nfs/dbraw/zinc/33/90/34/560339034.db2.gz QYXFFGHETVYFBW-SFHVURJKSA-N 0 3 361.398 2.123 20 5 FEBDHN CCOc1cc(CNC(C)(C)CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000451985583 560342496 /nfs/dbraw/zinc/34/24/96/560342496.db2.gz MNQXPLJKZPOXOC-UHFFFAOYSA-N 0 3 364.490 2.499 20 5 FEBDHN CC[C@H](CNS(C)(=O)=O)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296485 560385395 /nfs/dbraw/zinc/38/53/95/560385395.db2.gz YYONZFJFVJVLOJ-ABAIWWIYSA-N 0 3 355.460 2.235 20 5 FEBDHN CNc1nc(C(=O)Nc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000455221022 560474510 /nfs/dbraw/zinc/47/45/10/560474510.db2.gz NKVNHPICCUODKS-UHFFFAOYSA-N 0 3 359.386 2.224 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000455657468 560490775 /nfs/dbraw/zinc/49/07/75/560490775.db2.gz MDWRGOUMSZKJIF-UHFFFAOYSA-N 0 3 366.809 2.328 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000457105486 560548997 /nfs/dbraw/zinc/54/89/97/560548997.db2.gz CMOXRAQIPQONPP-OAHLLOKOSA-N 0 3 357.414 2.335 20 5 FEBDHN C[NH+](C)CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000458302701 560614016 /nfs/dbraw/zinc/61/40/16/560614016.db2.gz XDCVOLIJPNKPRS-UHFFFAOYSA-N 0 3 364.333 2.027 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000459485466 560689122 /nfs/dbraw/zinc/68/91/22/560689122.db2.gz RITYMSDMVQGGJD-UHFFFAOYSA-N 0 3 352.398 2.199 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525335 560691982 /nfs/dbraw/zinc/69/19/82/560691982.db2.gz IJVAUDFIYSNTEP-MSOLQXFVSA-N 0 3 374.441 2.036 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459655425 560700457 /nfs/dbraw/zinc/70/04/57/560700457.db2.gz DEOTVGPDJFVPPO-GOEBONIOSA-N 0 3 373.409 2.394 20 5 FEBDHN Cc1cc(Sc2nnnn2C[C@H]2CCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946636 560789090 /nfs/dbraw/zinc/78/90/90/560789090.db2.gz NETHOPOUFKAYKT-JTQLQIEISA-N 0 3 352.395 2.132 20 5 FEBDHN CSC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000464700207 560848742 /nfs/dbraw/zinc/84/87/42/560848742.db2.gz QANSAAFTMSQIJF-UHFFFAOYSA-N 0 3 373.425 2.359 20 5 FEBDHN CCOc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020996 560901669 /nfs/dbraw/zinc/90/16/69/560901669.db2.gz DAIHEBCVCZFTDS-RISCZKNCSA-N 0 3 363.414 2.215 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467669404 560914576 /nfs/dbraw/zinc/91/45/76/560914576.db2.gz WUGOVCDDEUTJCA-IBGZPJMESA-N 0 3 373.384 2.101 20 5 FEBDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000467989109 560920737 /nfs/dbraw/zinc/92/07/37/560920737.db2.gz CHZNVOCYLJLMFL-CYBMUJFWSA-N 0 3 363.439 2.396 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H]2N(C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000468459029 560930442 /nfs/dbraw/zinc/93/04/42/560930442.db2.gz NFGFTCWMBHCRNM-CQSZACIVSA-N 0 3 351.451 2.035 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000468472660 560930765 /nfs/dbraw/zinc/93/07/65/560930765.db2.gz MHYVGJCBUINUMR-MRXNPFEDSA-N 0 3 365.430 2.219 20 5 FEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000470178061 560976136 /nfs/dbraw/zinc/97/61/36/560976136.db2.gz WLJKSQWIUDQFTN-YFPIXMDGSA-N 0 3 372.425 2.308 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350077 561071870 /nfs/dbraw/zinc/07/18/70/561071870.db2.gz AUHGNOWEISPFSO-CRAIPNDOSA-N 0 3 366.414 2.440 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000474352865 561071882 /nfs/dbraw/zinc/07/18/82/561071882.db2.gz IPZRJEDHJZQMTF-DZGCQCFKSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474345580 561071895 /nfs/dbraw/zinc/07/18/95/561071895.db2.gz OAILGMFJQNWTAM-AWEZNQCLSA-N 0 3 365.430 2.111 20 5 FEBDHN Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000475054977 561089058 /nfs/dbraw/zinc/08/90/58/561089058.db2.gz QPLYGEUYLYQNSV-IRXDYDNUSA-N 0 3 361.421 2.339 20 5 FEBDHN COC(=O)COc1ccc(CN(C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000475106085 561090735 /nfs/dbraw/zinc/09/07/35/561090735.db2.gz HHZOKOUQSUOQDQ-UHFFFAOYSA-N 0 3 359.382 2.216 20 5 FEBDHN COc1c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301336 561115898 /nfs/dbraw/zinc/11/58/98/561115898.db2.gz COJJLIKSJACJJE-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN CS[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534827449 562543331 /nfs/dbraw/zinc/54/33/31/562543331.db2.gz LQMVHANPGMFOEJ-HOTGVXAUSA-N 0 3 366.487 2.291 20 5 FEBDHN O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1Br ZINC000535258982 562554252 /nfs/dbraw/zinc/55/42/52/562554252.db2.gz ADAQIFVJUMLISF-UHFFFAOYSA-N 0 3 365.187 2.016 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000568558053 568051508 /nfs/dbraw/zinc/05/15/08/568051508.db2.gz MXMOTJQMGBUOOG-CFVMTHIKSA-N 0 3 358.398 2.473 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000568570355 568056992 /nfs/dbraw/zinc/05/69/92/568056992.db2.gz GNIVOKCUYOEUNM-MRXNPFEDSA-N 0 3 364.446 2.372 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(C2)CCN(C)CC3)c1C ZINC000603384784 568094461 /nfs/dbraw/zinc/09/44/61/568094461.db2.gz STUFCQMACOZYDK-UHFFFAOYSA-N 0 3 367.471 2.318 20 5 FEBDHN C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824568619 607530602 /nfs/dbraw/zinc/53/06/02/607530602.db2.gz BCIXZOQBMXUNCW-ZBEGNZNMSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000809808243 674510886 /nfs/dbraw/zinc/51/08/86/674510886.db2.gz LKTTYAFNJLZWQN-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN C[NH+](C)CCN(Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821587295 607114714 /nfs/dbraw/zinc/11/47/14/607114714.db2.gz PTPYILBBNKDLCW-UHFFFAOYSA-N 0 3 373.442 2.405 20 5 FEBDHN O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826499311 608529763 /nfs/dbraw/zinc/52/97/63/608529763.db2.gz DKXZELNZLSKFDM-UHFFFAOYSA-N 0 3 366.381 2.433 20 5 FEBDHN CC(COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813105676 674720019 /nfs/dbraw/zinc/72/00/19/674720019.db2.gz ROAHLPXFOYMKAM-SSDOTTSWSA-N 0 3 352.221 2.358 20 5 FEBDHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106386 674720349 /nfs/dbraw/zinc/72/03/49/674720349.db2.gz CEYIWOUMLLFPNH-CYBMUJFWSA-N 0 3 372.443 2.319 20 5 FEBDHN CC(COC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813112029 674720937 /nfs/dbraw/zinc/72/09/37/674720937.db2.gz YNXMOQQRGOLJSK-CYBMUJFWSA-N 0 3 363.391 2.483 20 5 FEBDHN NC(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000579705235 671754511 /nfs/dbraw/zinc/75/45/11/671754511.db2.gz SHIBAZDLLYCHDZ-SECBINFHSA-N 0 3 374.241 2.031 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000580890586 671843907 /nfs/dbraw/zinc/84/39/07/671843907.db2.gz NKAGTBDBYGHCKB-CZUORRHYSA-N 0 3 367.471 2.405 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134988 675956207 /nfs/dbraw/zinc/95/62/07/675956207.db2.gz ICEHETOULDFPGK-ZIAGYGMSSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137061204 672140810 /nfs/dbraw/zinc/14/08/10/672140810.db2.gz YNPQXEAPSTWXNJ-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN COC(=O)c1cc(NCCN2CCC(OC)CC2)cc(C)c1[N+](=O)[O-] ZINC000610770278 675995669 /nfs/dbraw/zinc/99/56/69/675995669.db2.gz RPIAHQVMIYHVFG-UHFFFAOYSA-N 0 3 351.403 2.213 20 5 FEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000590371042 672575341 /nfs/dbraw/zinc/57/53/41/672575341.db2.gz DWRIYBCGCQIVNV-ZDUSSCGKSA-N 0 3 367.471 2.282 20 5 FEBDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000590572139 672590846 /nfs/dbraw/zinc/59/08/46/672590846.db2.gz WSALJAKVGJLBLH-ZDUSSCGKSA-N 0 3 370.456 2.019 20 5 FEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513840 676041909 /nfs/dbraw/zinc/04/19/09/676041909.db2.gz MXOWODYPZLWHJG-LLVKDONJSA-N 0 3 355.341 2.410 20 5 FEBDHN Cc1noc(C)c1[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757215 672708540 /nfs/dbraw/zinc/70/85/40/672708540.db2.gz XSZZMHQZJPZQPH-NSHDSACASA-N 0 3 367.427 2.367 20 5 FEBDHN [NH3+]CC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000593731081 672984310 /nfs/dbraw/zinc/98/43/10/672984310.db2.gz QNACSJWZPIODFH-UHFFFAOYSA-N 0 3 367.349 2.021 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000594045631 673025280 /nfs/dbraw/zinc/02/52/80/673025280.db2.gz JWZOJXLXTPOOPE-CQSZACIVSA-N 0 3 351.403 2.150 20 5 FEBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCN1CC ZINC000596049234 673353926 /nfs/dbraw/zinc/35/39/26/673353926.db2.gz HIISYSKGPGQUDH-AWEZNQCLSA-N 0 3 370.475 2.179 20 5 FEBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000539479473 673492367 /nfs/dbraw/zinc/49/23/67/673492367.db2.gz ICFPMYUMJXLIIC-UHOFOFEASA-N 0 3 366.487 2.208 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598604913 673588901 /nfs/dbraw/zinc/58/89/01/673588901.db2.gz CLBVNWATCSWIBN-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608642 673589799 /nfs/dbraw/zinc/58/97/99/673589799.db2.gz OIFCJYBLUPXLJZ-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000544599497 673720154 /nfs/dbraw/zinc/72/01/54/673720154.db2.gz TVQBSASHAJSSEH-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467811 673771611 /nfs/dbraw/zinc/77/16/11/673771611.db2.gz CULWIFPRLTUGKK-MCIONIFRSA-N 0 3 355.460 2.240 20 5 FEBDHN COc1ccc(OCCN2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000743845733 673773613 /nfs/dbraw/zinc/77/36/13/673773613.db2.gz KFXYMZAATLLFPV-ZDUSSCGKSA-N 0 3 352.387 2.067 20 5 FEBDHN COc1ccc(OCCN2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000743845732 673773751 /nfs/dbraw/zinc/77/37/51/673773751.db2.gz KFXYMZAATLLFPV-CYBMUJFWSA-N 0 3 352.387 2.067 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601355284 673847232 /nfs/dbraw/zinc/84/72/32/673847232.db2.gz NAXYKFYYEKCRKE-JQWIXIFHSA-N 0 3 361.489 2.458 20 5 FEBDHN CCCCN(C)C(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602765911 673910789 /nfs/dbraw/zinc/91/07/89/673910789.db2.gz MGDGUUJOXBEBCK-UHFFFAOYSA-N 0 3 351.451 2.070 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(F)cc2F)cc1 ZINC000566883499 675250223 /nfs/dbraw/zinc/25/02/23/675250223.db2.gz BZUXSCVEQAQCRS-UHFFFAOYSA-N 0 3 370.377 2.479 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000821051335 675409537 /nfs/dbraw/zinc/40/95/37/675409537.db2.gz AODNBYNCSWHYKQ-CYBMUJFWSA-N 0 3 369.849 2.144 20 5 FEBDHN O=C(N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1)C(F)(F)F ZINC000824829780 675624206 /nfs/dbraw/zinc/62/42/06/675624206.db2.gz RBCJUBBYELKWOU-CHWSQXEVSA-N 0 3 357.332 2.437 20 5 FEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)C2CCOCC2)c1Br ZINC000839554215 680761168 /nfs/dbraw/zinc/76/11/68/680761168.db2.gz ZPZBFBOAVWCOBN-GFCCVEGCSA-N 0 3 359.220 2.234 20 5 FEBDHN COCCN1CCC(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836480034 680475156 /nfs/dbraw/zinc/47/51/56/680475156.db2.gz OUJGXYGNCJYENF-UHFFFAOYSA-N 0 3 355.822 2.397 20 5 FEBDHN CC1(C)CNCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843352151 680999239 /nfs/dbraw/zinc/99/92/39/680999239.db2.gz RCUGZKSXDZJSHB-UHFFFAOYSA-N 0 3 360.183 2.320 20 5 FEBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCNC[C@@](C)(F)C1 ZINC000843388406 681000799 /nfs/dbraw/zinc/00/07/99/681000799.db2.gz YAWWRCKUDGUGRQ-MEBBXXQBSA-N 0 3 358.801 2.209 20 5 FEBDHN CO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000845884362 681159535 /nfs/dbraw/zinc/15/95/35/681159535.db2.gz YCOUSNXKHHWWDV-ONERCXAPSA-N 0 3 351.334 2.196 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000776600700 681414021 /nfs/dbraw/zinc/41/40/21/681414021.db2.gz FGMFXINDDVUJPU-KSSFIOAISA-N 0 3 350.415 2.146 20 5 FEBDHN CN1CCN(C)CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000933990478 681493571 /nfs/dbraw/zinc/49/35/71/681493571.db2.gz DAADMSHVBVLYDO-UHFFFAOYSA-N 0 3 371.279 2.037 20 5 FEBDHN C[C@@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000934497894 681579978 /nfs/dbraw/zinc/57/99/78/681579978.db2.gz RZAHRDXLUIRYCT-AWEZNQCLSA-N 0 3 369.219 2.051 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)cs1 ZINC000849461747 681747587 /nfs/dbraw/zinc/74/75/87/681747587.db2.gz ZDQMWVWDCOVLBV-LLVKDONJSA-N 0 3 359.473 2.342 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000782403810 682038932 /nfs/dbraw/zinc/03/89/32/682038932.db2.gz AHOVXIHAUXSIHA-ZDUSSCGKSA-N 0 3 364.471 2.477 20 5 FEBDHN COC(=O)c1cc(NC(=S)NC2CCN(C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000792684611 682827654 /nfs/dbraw/zinc/82/76/54/682827654.db2.gz CJVYOYBYCXKCPJ-UHFFFAOYSA-N 0 3 366.443 2.070 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1 ZINC000857341969 682881198 /nfs/dbraw/zinc/88/11/98/682881198.db2.gz LMLWKBXHKLIGTG-LLVKDONJSA-N 0 3 356.220 2.427 20 5 FEBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928440924 683451355 /nfs/dbraw/zinc/45/13/55/683451355.db2.gz ODASTVMLOFCCSM-TVQRCGJNSA-N 0 3 356.220 2.109 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000929216504 683564064 /nfs/dbraw/zinc/56/40/64/683564064.db2.gz BYSAIJUGIGGIDC-LSDHHAIUSA-N 0 3 368.821 2.311 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000931186296 683849115 /nfs/dbraw/zinc/84/91/15/683849115.db2.gz LVCIALXIKHKCFF-OLZOCXBDSA-N 0 3 367.833 2.160 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c1 ZINC000867307589 684243530 /nfs/dbraw/zinc/24/35/30/684243530.db2.gz BVCNIMMAVSLRDS-WDEREUQCSA-N 0 3 361.851 2.270 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000885870172 688173999 /nfs/dbraw/zinc/17/39/99/688173999.db2.gz YQKPOFMJRRRMHR-CQSZACIVSA-N 0 3 353.806 2.231 20 5 FEBDHN COCCN(C)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896097540 689819189 /nfs/dbraw/zinc/81/91/89/689819189.db2.gz SOZAKBKVWRVEOY-UHFFFAOYSA-N 0 3 368.192 2.349 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCO[C@]12CCOC2 ZINC000903216558 690868446 /nfs/dbraw/zinc/86/84/46/690868446.db2.gz DCTCHJKZQRYSCP-KBPBESRZSA-N 0 3 357.204 2.395 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000041644472 540028773 /nfs/dbraw/zinc/02/87/73/540028773.db2.gz NLKVWKDAHZVULP-STQMWFEESA-N 0 3 362.430 2.221 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047144365 540292676 /nfs/dbraw/zinc/29/26/76/540292676.db2.gz YIZPWXAJXGQZIP-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000055913486 540686176 /nfs/dbraw/zinc/68/61/76/540686176.db2.gz KKRZRLKWCPPYGP-UHFFFAOYSA-N 0 3 374.441 2.222 20 5 FEBDHN Cc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000057065790 540766425 /nfs/dbraw/zinc/76/64/25/540766425.db2.gz BXPJMRZOFHDTBN-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000067271526 541438728 /nfs/dbraw/zinc/43/87/28/541438728.db2.gz RPXHTHOQSAHUNY-ZDUSSCGKSA-N 0 3 365.430 2.462 20 5 FEBDHN CN(C)CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCC1 ZINC000067483151 541470208 /nfs/dbraw/zinc/47/02/08/541470208.db2.gz BSYYEIAXJSQDGP-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccsc1 ZINC000068202203 541562892 /nfs/dbraw/zinc/56/28/92/541562892.db2.gz LSEVNKVQNINMOS-CQSZACIVSA-N 0 3 365.459 2.361 20 5 FEBDHN CCOc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341460 541579193 /nfs/dbraw/zinc/57/91/93/541579193.db2.gz PPLSKIMXKSVVHK-GFCCVEGCSA-N 0 3 351.403 2.168 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000068902990 541639063 /nfs/dbraw/zinc/63/90/63/541639063.db2.gz HSEWELDMDSFNJZ-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069527351 541694095 /nfs/dbraw/zinc/69/40/95/541694095.db2.gz KGQHXWMNFDWCKN-OAHLLOKOSA-N 0 3 362.430 2.010 20 5 FEBDHN CCC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000072724336 541858895 /nfs/dbraw/zinc/85/88/95/541858895.db2.gz CWHVGJWVQFXGJN-UHFFFAOYSA-N 0 3 351.403 2.169 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072855639 541882164 /nfs/dbraw/zinc/88/21/64/541882164.db2.gz SYMGOWGTPFANNI-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN CSC[C@@H](CCO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077462148 542384899 /nfs/dbraw/zinc/38/48/99/542384899.db2.gz VSBCSGBRJDGPDS-CQSZACIVSA-N 0 3 350.444 2.199 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000085636276 542730749 /nfs/dbraw/zinc/73/07/49/542730749.db2.gz YLHSWQQVFVCGJD-UHFFFAOYSA-N 0 3 363.462 2.359 20 5 FEBDHN CN(C)[C@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078617620 132190780 /nfs/dbraw/zinc/19/07/80/132190780.db2.gz CEQYKOHTBGGFMO-AWEZNQCLSA-N 0 3 357.414 2.090 20 5 FEBDHN CCc1nn(C)c(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478769 542810107 /nfs/dbraw/zinc/81/01/07/542810107.db2.gz WAWMGYINBKYNKI-OKILXGFUSA-N 0 3 365.478 2.216 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000105599398 543177731 /nfs/dbraw/zinc/17/77/31/543177731.db2.gz ZZAWBCSLRUMDIY-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891633 543253107 /nfs/dbraw/zinc/25/31/07/543253107.db2.gz USCBXRCQOHLSIL-AWEZNQCLSA-N 0 3 367.471 2.452 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(n2cncn2)CC1 ZINC000110070964 543347949 /nfs/dbraw/zinc/34/79/49/543347949.db2.gz NVHCKNZAPWTLSC-UHFFFAOYSA-N 0 3 358.402 2.160 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115437168 543567440 /nfs/dbraw/zinc/56/74/40/543567440.db2.gz WEGAUXXWHFHZPH-AWEZNQCLSA-N 0 3 357.414 2.194 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115586391 543576387 /nfs/dbraw/zinc/57/63/87/543576387.db2.gz CXYMERHBWXCNEB-LLVKDONJSA-N 0 3 361.851 2.211 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H](C)N2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000116662632 543612333 /nfs/dbraw/zinc/61/23/33/543612333.db2.gz BRXWCGOKJFUTIW-CYBMUJFWSA-N 0 3 351.451 2.035 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC2CCN(c3ccccc3)CC2)cc1 ZINC000123456727 543762995 /nfs/dbraw/zinc/76/29/95/543762995.db2.gz OKHJQPTWLPJTOV-WOJBJXKFSA-N 0 3 371.437 2.248 20 5 FEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000124110062 543801689 /nfs/dbraw/zinc/80/16/89/543801689.db2.gz CEITWQUJKSZGLO-UHFFFAOYSA-N 0 3 351.447 2.264 20 5 FEBDHN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124832078 543845250 /nfs/dbraw/zinc/84/52/50/543845250.db2.gz YRWFDKHNQTWOQY-OAHLLOKOSA-N 0 3 357.414 2.302 20 5 FEBDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124832078 543845255 /nfs/dbraw/zinc/84/52/55/543845255.db2.gz YRWFDKHNQTWOQY-OAHLLOKOSA-N 0 3 357.414 2.302 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000125675187 543895535 /nfs/dbraw/zinc/89/55/35/543895535.db2.gz WQASMQDKQMHCKO-RYUDHWBXSA-N 0 3 359.473 2.070 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000127571112 544000873 /nfs/dbraw/zinc/00/08/73/544000873.db2.gz XAECFSKCIYYATM-GJZGRUSLSA-N 0 3 373.457 2.052 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1C1CC1 ZINC000127614693 544003937 /nfs/dbraw/zinc/00/39/37/544003937.db2.gz LWTVYKQKGABEPT-HUUCEWRRSA-N 0 3 373.457 2.052 20 5 FEBDHN CCCN(C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129208983 544097250 /nfs/dbraw/zinc/09/72/50/544097250.db2.gz PJQAAVOCDHLMIU-LLVKDONJSA-N 0 3 361.489 2.228 20 5 FEBDHN Cc1cc(CN(C)C)cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000130246315 544144270 /nfs/dbraw/zinc/14/42/70/544144270.db2.gz JROYGPLOYVAGMB-UHFFFAOYSA-N 0 3 370.409 2.333 20 5 FEBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000131986610 544214524 /nfs/dbraw/zinc/21/45/24/544214524.db2.gz PSZUEEFEQAMOQO-VIFPVBQESA-N 0 3 354.823 2.338 20 5 FEBDHN O=C(C[C@H]1CSCCN1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000133084799 544255395 /nfs/dbraw/zinc/25/53/95/544255395.db2.gz AFWKQYHNNNMFGM-ZDUSSCGKSA-N 0 3 365.455 2.060 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134933127 544328234 /nfs/dbraw/zinc/32/82/34/544328234.db2.gz IKBKKODPWRHIDV-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1c(NC(=O)CCN2CCS[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135510740 544349998 /nfs/dbraw/zinc/34/99/98/544349998.db2.gz ISQIBWOIEZHHKM-HOTGVXAUSA-N 0 3 365.455 2.438 20 5 FEBDHN COc1cc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150777186 544469766 /nfs/dbraw/zinc/46/97/66/544469766.db2.gz UDLVNGWTEQKFHA-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CN1C1CC1 ZINC000152987986 544719465 /nfs/dbraw/zinc/71/94/65/544719465.db2.gz BNSYYIUXFWDRIL-OLZOCXBDSA-N 0 3 355.398 2.136 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000155198763 545000724 /nfs/dbraw/zinc/00/07/24/545000724.db2.gz WKZWGLBVTIXRAS-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007785 327756527 /nfs/dbraw/zinc/75/65/27/327756527.db2.gz LVJZGGLSTAEOEJ-WFASDCNBSA-N 0 3 362.430 2.336 20 5 FEBDHN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021755 327757291 /nfs/dbraw/zinc/75/72/91/327757291.db2.gz ZJQTVGIYYOCFBQ-MLGOLLRUSA-N 0 3 362.430 2.336 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184656665 327877597 /nfs/dbraw/zinc/87/75/97/327877597.db2.gz QZQCYQNHMDTJOP-RBSFLKMASA-N 0 3 369.487 2.381 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188118699 328067233 /nfs/dbraw/zinc/06/72/33/328067233.db2.gz FDVQRFNMMUADAG-HXUWFJFHSA-N 0 3 369.421 2.304 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189199793 328134382 /nfs/dbraw/zinc/13/43/82/328134382.db2.gz LDDDHDLZHRIPJX-NVXWUHKLSA-N 0 3 350.415 2.226 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@@H](OC)C1 ZINC000189256432 328137364 /nfs/dbraw/zinc/13/73/64/328137364.db2.gz NKMFZKKUCSPQEG-WBMJQRKESA-N 0 3 351.403 2.289 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794103 328168404 /nfs/dbraw/zinc/16/84/04/328168404.db2.gz JNZDMJCUPUNSFB-HNNXBMFYSA-N 0 3 362.474 2.474 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000191404938 328264208 /nfs/dbraw/zinc/26/42/08/328264208.db2.gz JKIHIMPEZVNZKU-UHFFFAOYSA-N 0 3 363.462 2.359 20 5 FEBDHN CCc1ccc([C@H](CNC(=O)c2nn(CC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000191759923 328280346 /nfs/dbraw/zinc/28/03/46/328280346.db2.gz IWKKRBVSMRGTMH-HNNXBMFYSA-N 0 3 359.430 2.406 20 5 FEBDHN COc1cccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000192687535 328333437 /nfs/dbraw/zinc/33/34/37/328333437.db2.gz DLWHEUQQFPTGET-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1ccc(CSCC(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000193322398 328368668 /nfs/dbraw/zinc/36/86/68/328368668.db2.gz AATNYDPQGHLBSS-UHFFFAOYSA-N 0 3 367.471 2.389 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(NC(=O)C2CC2)CC1 ZINC000030285112 324457894 /nfs/dbraw/zinc/45/78/94/324457894.db2.gz BWJZSGNRFQWUTF-UHFFFAOYSA-N 0 3 374.441 2.222 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080922670 325147185 /nfs/dbraw/zinc/14/71/85/325147185.db2.gz BDKGXVDOYJETRW-UHFFFAOYSA-N 0 3 369.421 2.482 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000090589649 325364873 /nfs/dbraw/zinc/36/48/73/325364873.db2.gz FUISCXSMQIGUIW-GOSISDBHSA-N 0 3 357.410 2.030 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098104625 325466710 /nfs/dbraw/zinc/46/67/10/325466710.db2.gz PZXXIZGDZUSERP-CQSZACIVSA-N 0 3 351.451 2.123 20 5 FEBDHN Cc1c(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103451067 325518356 /nfs/dbraw/zinc/51/83/56/325518356.db2.gz KOAVZUMJCNJMOS-UHFFFAOYSA-N 0 3 350.375 2.225 20 5 FEBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118117331 326082903 /nfs/dbraw/zinc/08/29/03/326082903.db2.gz HHXCOILQKLFMIS-SNVBAGLBSA-N 0 3 356.810 2.033 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1C ZINC000119732679 326192610 /nfs/dbraw/zinc/19/26/10/326192610.db2.gz BNIUOUCUCXESPZ-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1c(C(=O)NCc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000123981441 326445656 /nfs/dbraw/zinc/44/56/56/326445656.db2.gz LZGVRGJPRMJBNV-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN CC(C)(C)N1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151996562 326696576 /nfs/dbraw/zinc/69/65/76/326696576.db2.gz MPBHPNSOJNGXHV-UHFFFAOYSA-N 0 3 355.460 2.277 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000160959519 326983209 /nfs/dbraw/zinc/98/32/09/326983209.db2.gz XEGFLFADGNNSRS-OAHLLOKOSA-N 0 3 369.487 2.179 20 5 FEBDHN CCOC(=O)c1ccnc(N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000162243964 327020760 /nfs/dbraw/zinc/02/07/60/327020760.db2.gz HNYLGSUDWQKBFE-UHFFFAOYSA-N 0 3 362.386 2.328 20 5 FEBDHN CC(=O)N1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170906651 327106634 /nfs/dbraw/zinc/10/66/34/327106634.db2.gz XRVUERZMDFRVQQ-UHFFFAOYSA-N 0 3 358.398 2.347 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000171980462 327174314 /nfs/dbraw/zinc/17/43/14/327174314.db2.gz AYTATYYTMOPKNT-GFCCVEGCSA-N 0 3 367.402 2.363 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1C ZINC000173242062 327243644 /nfs/dbraw/zinc/24/36/44/327243644.db2.gz SZJZWHPYXWRDBP-KBPBESRZSA-N 0 3 355.460 2.172 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173626391 327272056 /nfs/dbraw/zinc/27/20/56/327272056.db2.gz IYQAFCOVXMVYRF-AWEZNQCLSA-N 0 3 353.444 2.091 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(F)c1 ZINC000173631735 327272549 /nfs/dbraw/zinc/27/25/49/327272549.db2.gz UVYGHUYHPFWYTK-CYBMUJFWSA-N 0 3 371.434 2.230 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173671605 327275430 /nfs/dbraw/zinc/27/54/30/327275430.db2.gz JYOIMVBLNLIKTI-GFCCVEGCSA-N 0 3 359.423 2.229 20 5 FEBDHN O=C(C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)N1CCc2ccccc21 ZINC000174833973 327354210 /nfs/dbraw/zinc/35/42/10/327354210.db2.gz LUOOZIIGNPTHER-UHFFFAOYSA-N 0 3 369.425 2.093 20 5 FEBDHN CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2cnccc21 ZINC000176975003 327488239 /nfs/dbraw/zinc/48/82/39/327488239.db2.gz HHCYNRNGQKRRMC-UHFFFAOYSA-N 0 3 368.802 2.288 20 5 FEBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178519220 327590095 /nfs/dbraw/zinc/59/00/95/327590095.db2.gz ZUNPNNNVPCEPHB-CQSZACIVSA-N 0 3 363.439 2.386 20 5 FEBDHN C[C@@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262807111 328891227 /nfs/dbraw/zinc/89/12/27/328891227.db2.gz QHNLSYVOAOXKTE-UWVGGRQHSA-N 0 3 356.220 2.109 20 5 FEBDHN Cc1nn(CCC(=O)N(CCN(C)C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263814044 328965202 /nfs/dbraw/zinc/96/52/02/328965202.db2.gz ODJDOSONDOCWPQ-UHFFFAOYSA-N 0 3 373.457 2.389 20 5 FEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264796517 329061998 /nfs/dbraw/zinc/06/19/98/329061998.db2.gz UOVSXJCOJJSIGY-UHFFFAOYSA-N 0 3 360.414 2.051 20 5 FEBDHN CN1CCN(CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000265544414 329137452 /nfs/dbraw/zinc/13/74/52/329137452.db2.gz PIYLOVLVJNWGGZ-UHFFFAOYSA-N 0 3 353.854 2.107 20 5 FEBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000266525607 329233029 /nfs/dbraw/zinc/23/30/29/329233029.db2.gz BECHKYATCMYMMA-IEBWSBKVSA-N 0 3 360.410 2.390 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530210 329233167 /nfs/dbraw/zinc/23/31/67/329233167.db2.gz LXOWVAJFZJAMIY-BBRMVZONSA-N 0 3 350.806 2.295 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCCCO1 ZINC000266713158 329252234 /nfs/dbraw/zinc/25/22/34/329252234.db2.gz JREDNKORTQAKLY-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000266928160 329273755 /nfs/dbraw/zinc/27/37/55/329273755.db2.gz RTCBVMRRGLCWME-UHFFFAOYSA-N 0 3 367.413 2.456 20 5 FEBDHN COc1cc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268150301 329390460 /nfs/dbraw/zinc/39/04/60/329390460.db2.gz GAWXPQDTCUYEJQ-UHFFFAOYSA-N 0 3 353.394 2.291 20 5 FEBDHN CSc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270970228 329650187 /nfs/dbraw/zinc/65/01/87/329650187.db2.gz BRHFYHUSYXHTCT-TZMCWYRMSA-N 0 3 355.485 2.434 20 5 FEBDHN COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668275 329713575 /nfs/dbraw/zinc/71/35/75/329713575.db2.gz MPCAWHXPHKVLAI-DYVFJYSZSA-N 0 3 374.393 2.472 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000275107423 330011237 /nfs/dbraw/zinc/01/12/37/330011237.db2.gz KVMSXSMBJBKPLT-GDBMZVCRSA-N 0 3 365.455 2.255 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275290435 330031092 /nfs/dbraw/zinc/03/10/92/330031092.db2.gz OOZGNOLBHTXFPT-GJZGRUSLSA-N 0 3 353.419 2.386 20 5 FEBDHN CC(C)CN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276350911 330143915 /nfs/dbraw/zinc/14/39/15/330143915.db2.gz ULLBUZKONBNFEO-CYBMUJFWSA-N 0 3 355.460 2.388 20 5 FEBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000155605604 545548557 /nfs/dbraw/zinc/54/85/57/545548557.db2.gz KJJYLFHERNUXKR-UHFFFAOYSA-N 0 3 369.365 2.232 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155778217 545568726 /nfs/dbraw/zinc/56/87/26/545568726.db2.gz OVVDSQWRNRZLHM-QLFBSQMISA-N 0 3 369.487 2.381 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000157260821 545719771 /nfs/dbraw/zinc/71/97/71/545719771.db2.gz IDMKGSPPCGRUST-UHFFFAOYSA-N 0 3 357.410 2.433 20 5 FEBDHN COCCN(C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171127676 546192346 /nfs/dbraw/zinc/19/23/46/546192346.db2.gz MXLMZWSTSQQLJV-UHFFFAOYSA-N 0 3 364.427 2.026 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480751205 561215922 /nfs/dbraw/zinc/21/59/22/561215922.db2.gz BKWZVLVRFSKZHG-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cnc(OCC(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000179271152 546923202 /nfs/dbraw/zinc/92/32/02/546923202.db2.gz OURGBPBFCWJCBW-INIZCTEOSA-N 0 3 358.398 2.096 20 5 FEBDHN COCCO[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179347895 546936492 /nfs/dbraw/zinc/93/64/92/546936492.db2.gz MULRBOIUQCFCLA-HNNXBMFYSA-N 0 3 365.430 2.359 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000483400464 561276163 /nfs/dbraw/zinc/27/61/63/561276163.db2.gz CGRRYWKYDPADSF-JKSUJKDBSA-N 0 3 367.446 2.315 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000181953743 547412501 /nfs/dbraw/zinc/41/25/01/547412501.db2.gz RVEBSJHADCERLX-INIZCTEOSA-N 0 3 365.430 2.142 20 5 FEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617154 561301193 /nfs/dbraw/zinc/30/11/93/561301193.db2.gz MDXZGXVJIWMGQC-WKPIXPDZSA-N 0 3 371.821 2.359 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000183763862 547714662 /nfs/dbraw/zinc/71/46/62/547714662.db2.gz SIDCHUQQOWNHKP-MRXNPFEDSA-N 0 3 355.394 2.091 20 5 FEBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000183995483 547750673 /nfs/dbraw/zinc/75/06/73/547750673.db2.gz TVLAQDNGGRTCOG-UHFFFAOYSA-N 0 3 355.460 2.139 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186769638 548189292 /nfs/dbraw/zinc/18/92/92/548189292.db2.gz JHCUSAJITHJQKY-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN CCOc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152332 561364986 /nfs/dbraw/zinc/36/49/86/561364986.db2.gz RQFPCIVPQREUFO-RDJZCZTQSA-N 0 3 362.474 2.456 20 5 FEBDHN CCOc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152331 561365058 /nfs/dbraw/zinc/36/50/58/561365058.db2.gz RQFPCIVPQREUFO-NVXWUHKLSA-N 0 3 362.474 2.456 20 5 FEBDHN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000237842277 548858353 /nfs/dbraw/zinc/85/83/53/548858353.db2.gz YMIHCACJTLLOJR-UHFFFAOYSA-N 0 3 360.336 2.238 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246114370 549055782 /nfs/dbraw/zinc/05/57/82/549055782.db2.gz IPIGHEZTMUJLDO-BBRMVZONSA-N 0 3 355.460 2.087 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246407632 549127141 /nfs/dbraw/zinc/12/71/41/549127141.db2.gz QOAUUHXPNNTJMN-SUMWQHHRSA-N 0 3 365.455 2.232 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762138 561396397 /nfs/dbraw/zinc/39/63/97/561396397.db2.gz CKXLHXROVAJKHN-OZVIIMIRSA-N 0 3 357.414 2.410 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248429871 549434998 /nfs/dbraw/zinc/43/49/98/549434998.db2.gz QZQCYQNHMDTJOP-ZNMIVQPWSA-N 0 3 369.487 2.381 20 5 FEBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000248452845 549441222 /nfs/dbraw/zinc/44/12/22/549441222.db2.gz JUQJNNLSBQFNIE-INMHGKMJSA-N 0 3 360.414 2.114 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248918125 549528550 /nfs/dbraw/zinc/52/85/50/549528550.db2.gz WIHHHAQWLMASHY-RHSMWYFYSA-N 0 3 371.441 2.127 20 5 FEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249130890 549556777 /nfs/dbraw/zinc/55/67/77/549556777.db2.gz UUWLIFXJTDZYNH-DZGCQCFKSA-N 0 3 363.414 2.363 20 5 FEBDHN C[C@@H]1SCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000252480399 549666370 /nfs/dbraw/zinc/66/63/70/549666370.db2.gz AIUQNMWDVLXJOP-IAOVAPTHSA-N 0 3 362.455 2.331 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253552279 549695469 /nfs/dbraw/zinc/69/54/69/549695469.db2.gz YTEKONVNLVVDCG-BDJLRTHQSA-N 0 3 358.398 2.307 20 5 FEBDHN O=C(NCCCN1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263912034 549954369 /nfs/dbraw/zinc/95/43/69/549954369.db2.gz MKJSQYMAVJCWCU-UHFFFAOYSA-N 0 3 356.810 2.217 20 5 FEBDHN COCC1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000270418480 550270659 /nfs/dbraw/zinc/27/06/59/550270659.db2.gz ZIJCUORNZIKQMN-UHFFFAOYSA-N 0 3 361.398 2.266 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCc2cc[nH]c(=O)c2C1 ZINC000494155950 561463627 /nfs/dbraw/zinc/46/36/27/561463627.db2.gz YTQGDYFICIPHQX-UHFFFAOYSA-N 0 3 370.365 2.052 20 5 FEBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248344 561465644 /nfs/dbraw/zinc/46/56/44/561465644.db2.gz QXANNAAHNVWJKN-LKFCYVNXSA-N 0 3 372.219 2.453 20 5 FEBDHN CN1CC=C(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000271983929 550414755 /nfs/dbraw/zinc/41/47/55/550414755.db2.gz OUHBMDDJEWDBLK-UHFFFAOYSA-N 0 3 358.442 2.189 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000273231297 550490651 /nfs/dbraw/zinc/49/06/51/550490651.db2.gz FUDPYJDSFACPHL-LBPRGKRZSA-N 0 3 365.430 2.414 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274913548 550564540 /nfs/dbraw/zinc/56/45/40/550564540.db2.gz KGYQPFXOWLXULL-OAHLLOKOSA-N 0 3 357.414 2.267 20 5 FEBDHN CC(C)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000276858327 550603998 /nfs/dbraw/zinc/60/39/98/550603998.db2.gz AKYIKQGXVLOMMI-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN CC(C)[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068647 550627976 /nfs/dbraw/zinc/62/79/76/550627976.db2.gz DRRCMGKHVPJQFA-DOMZBBRYSA-N 0 3 358.485 2.488 20 5 FEBDHN C[C@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468245 550674180 /nfs/dbraw/zinc/67/41/80/550674180.db2.gz PJMXNUHHFOTNPD-GJZGRUSLSA-N 0 3 364.446 2.456 20 5 FEBDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823329 550825993 /nfs/dbraw/zinc/82/59/93/550825993.db2.gz CMPYZMNZVLQXIX-HZPDHXFCSA-N 0 3 368.821 2.125 20 5 FEBDHN CCCN(CCN(C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000496355361 561493548 /nfs/dbraw/zinc/49/35/48/561493548.db2.gz HQLIBPHOCNVFRM-UHFFFAOYSA-N 0 3 359.430 2.409 20 5 FEBDHN CN1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281665785 551127774 /nfs/dbraw/zinc/12/77/74/551127774.db2.gz CVIMHOMYNZPRBM-UHFFFAOYSA-N 0 3 362.474 2.015 20 5 FEBDHN CN(C)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000283058887 551304775 /nfs/dbraw/zinc/30/47/75/551304775.db2.gz WKUBPJRCYSAHPM-OAHLLOKOSA-N 0 3 365.821 2.254 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276646 551340310 /nfs/dbraw/zinc/34/03/10/551340310.db2.gz WXHSFCUJCATINT-NEPJUHHUSA-N 0 3 367.402 2.109 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843083 551817793 /nfs/dbraw/zinc/81/77/93/551817793.db2.gz OUTJUOJFBPCNEN-CABCVRRESA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917171 551826834 /nfs/dbraw/zinc/82/68/34/551826834.db2.gz SSKZBQYEZHRBHD-CHWSQXEVSA-N 0 3 351.378 2.198 20 5 FEBDHN CC(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000286013104 551838347 /nfs/dbraw/zinc/83/83/47/551838347.db2.gz FEWXQYQZJVSGPK-CYBMUJFWSA-N 0 3 364.475 2.283 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CCO)CCN(C)CC1 ZINC000499124827 561544183 /nfs/dbraw/zinc/54/41/83/561544183.db2.gz OWJHIPXFUAWFAL-CYBMUJFWSA-N 0 3 367.471 2.038 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000286442125 551885676 /nfs/dbraw/zinc/88/56/76/551885676.db2.gz QENQOCMUMFCQIP-GJZGRUSLSA-N 0 3 372.425 2.401 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287841075 552053427 /nfs/dbraw/zinc/05/34/27/552053427.db2.gz RNWYJIOMNIMZTG-LLVKDONJSA-N 0 3 363.443 2.289 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000288187017 552106519 /nfs/dbraw/zinc/10/65/19/552106519.db2.gz GCNAMFPVYHZFPG-GOSISDBHSA-N 0 3 361.442 2.239 20 5 FEBDHN CCN(CC)C(=O)[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500096293 561565808 /nfs/dbraw/zinc/56/58/08/561565808.db2.gz IHAGWESNHXDTCQ-MRXNPFEDSA-N 0 3 362.430 2.256 20 5 FEBDHN NC(=O)c1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000289610725 552349099 /nfs/dbraw/zinc/34/90/99/552349099.db2.gz YIQVCDLCXIJJMS-QGZVFWFLSA-N 0 3 366.421 2.331 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000289809603 552382276 /nfs/dbraw/zinc/38/22/76/552382276.db2.gz NUODOKNVZNAFSK-CQSZACIVSA-N 0 3 363.462 2.305 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514302 552491017 /nfs/dbraw/zinc/49/10/17/552491017.db2.gz AYFOABAXOGXAHA-IUODEOHRSA-N 0 3 355.398 2.021 20 5 FEBDHN NC(=O)C1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000290806206 552541403 /nfs/dbraw/zinc/54/14/03/552541403.db2.gz FSKTWAPKWUXBIO-UHFFFAOYSA-N 0 3 362.213 2.273 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000291232679 552603703 /nfs/dbraw/zinc/60/37/03/552603703.db2.gz ITTFUMLGCAEUHE-GXTWGEPZSA-N 0 3 362.430 2.037 20 5 FEBDHN COc1ccc(OCCN[C@@H](C(N)=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000292044440 552687855 /nfs/dbraw/zinc/68/78/55/552687855.db2.gz ASTWXNXIUHEQTC-FZKQIMNGSA-N 0 3 373.409 2.229 20 5 FEBDHN CC(C)[C@@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962702 552775138 /nfs/dbraw/zinc/77/51/38/552775138.db2.gz FVIVYWVQZBEGBX-QAPCUYQASA-N 0 3 352.431 2.065 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293769627 552854760 /nfs/dbraw/zinc/85/47/60/552854760.db2.gz ARVBDQOGGRFNPF-JKSUJKDBSA-N 0 3 367.833 2.112 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000294079249 552880186 /nfs/dbraw/zinc/88/01/86/552880186.db2.gz JPADXBOSGAYABY-IBGZPJMESA-N 0 3 370.409 2.407 20 5 FEBDHN COC[C@]1(C(=O)OC)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000295034364 552952838 /nfs/dbraw/zinc/95/28/38/552952838.db2.gz SFKGMYLEFCFOSY-SFHVURJKSA-N 0 3 359.382 2.467 20 5 FEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295462932 553010716 /nfs/dbraw/zinc/01/07/16/553010716.db2.gz QHLQPDIQSHJIGG-WMZOPIPTSA-N 0 3 372.425 2.197 20 5 FEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](C)C1 ZINC000298530776 553436553 /nfs/dbraw/zinc/43/65/53/553436553.db2.gz WUQPLTCCWYUYSF-CHWSQXEVSA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000298797499 553474423 /nfs/dbraw/zinc/47/44/23/553474423.db2.gz DRXODPMQDVISRE-CABCVRRESA-N 0 3 374.441 2.235 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000298828542 553478177 /nfs/dbraw/zinc/47/81/77/553478177.db2.gz GUIRTWUZKAUHHO-CABCVRRESA-N 0 3 374.441 2.235 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000299143126 553520893 /nfs/dbraw/zinc/52/08/93/553520893.db2.gz UHOSKYLCTDMAOD-AWEZNQCLSA-N 0 3 363.443 2.196 20 5 FEBDHN C[C@H]1CCCN(C(C)(C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301162606 553627436 /nfs/dbraw/zinc/62/74/36/553627436.db2.gz HQRIEHOPBJTVAH-LBPRGKRZSA-N 0 3 370.475 2.165 20 5 FEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1Cc1ccccc1 ZINC000301617530 553666150 /nfs/dbraw/zinc/66/61/50/553666150.db2.gz KMVAKUYMXUDAIE-OCCSQVGLSA-N 0 3 355.398 2.164 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000301880109 553687942 /nfs/dbraw/zinc/68/79/42/553687942.db2.gz PCVFWUSAXDPGNG-LLVKDONJSA-N 0 3 371.235 2.418 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000302800557 553733695 /nfs/dbraw/zinc/73/36/95/553733695.db2.gz CBHWOULOYDEAGZ-HNNXBMFYSA-N 0 3 366.849 2.299 20 5 FEBDHN C[C@@H]1CCC[C@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952533 561747012 /nfs/dbraw/zinc/74/70/12/561747012.db2.gz SAXBVXAXSSIJMV-KGLIPLIRSA-N 0 3 355.460 2.289 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000331043614 554205298 /nfs/dbraw/zinc/20/52/98/554205298.db2.gz DQIBPCUAZRZFOW-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCCC2)c1C ZINC000331095647 554211919 /nfs/dbraw/zinc/21/19/19/554211919.db2.gz LNDNJOGCEWVWRL-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN O=C(CCN1CCS[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621654 554296946 /nfs/dbraw/zinc/29/69/46/554296946.db2.gz FHZPJDMULLQVSM-LSDHHAIUSA-N 0 3 351.428 2.130 20 5 FEBDHN COc1c(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332084193 554377188 /nfs/dbraw/zinc/37/71/88/554377188.db2.gz PLYMQBFGQYXBIB-HUUCEWRRSA-N 0 3 365.455 2.255 20 5 FEBDHN CN1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337587 554428436 /nfs/dbraw/zinc/42/84/36/554428436.db2.gz WDZHPFVRAZPWOT-HUUCEWRRSA-N 0 3 370.247 2.262 20 5 FEBDHN COc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371392 554433522 /nfs/dbraw/zinc/43/35/22/554433522.db2.gz BCOXEHUYUOMCPD-DOTOQJQBSA-N 0 3 362.474 2.061 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332445831 554447366 /nfs/dbraw/zinc/44/73/66/554447366.db2.gz KUPBWLBVYZFPFK-KPZWWZAWSA-N 0 3 360.414 2.274 20 5 FEBDHN COc1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000510336062 561831792 /nfs/dbraw/zinc/83/17/92/561831792.db2.gz JNTQLWFIQLHFCL-UHFFFAOYSA-N 0 3 362.430 2.373 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000333998377 554666838 /nfs/dbraw/zinc/66/68/38/554666838.db2.gz PSTNWNBKTWHFDM-UTUOFQBUSA-N 0 3 352.410 2.412 20 5 FEBDHN CCOC(=O)C(C)(C)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000510933517 561851280 /nfs/dbraw/zinc/85/12/80/561851280.db2.gz DLWJBQCNUFJRDH-UHFFFAOYSA-N 0 3 365.430 2.058 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000361110197 554904992 /nfs/dbraw/zinc/90/49/92/554904992.db2.gz VOVHROHWXDRCTD-XHDPSFHLSA-N 0 3 352.822 2.213 20 5 FEBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511491546 561870769 /nfs/dbraw/zinc/87/07/69/561870769.db2.gz GOKFKUQLECLAIK-MCKRRDHZSA-N 0 3 361.442 2.471 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000362709311 554983168 /nfs/dbraw/zinc/98/31/68/554983168.db2.gz DQFKXYVVHLQZKI-OAHLLOKOSA-N 0 3 367.409 2.443 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nnc3n2CCC3)CC1 ZINC000363106492 555031950 /nfs/dbraw/zinc/03/19/50/555031950.db2.gz OLTIEMVVSVZNIN-UHFFFAOYSA-N 0 3 357.414 2.391 20 5 FEBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363648434 555154382 /nfs/dbraw/zinc/15/43/82/555154382.db2.gz KDMCXHLEZDFGFR-UHFFFAOYSA-N 0 3 355.822 2.433 20 5 FEBDHN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000364074905 555245036 /nfs/dbraw/zinc/24/50/36/555245036.db2.gz USYKVIAEYBVAGB-HNNXBMFYSA-N 0 3 371.441 2.442 20 5 FEBDHN Nc1c(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204391 555269275 /nfs/dbraw/zinc/26/92/75/555269275.db2.gz KLBQSBHBZGAXDB-KBPBESRZSA-N 0 3 362.336 2.022 20 5 FEBDHN COCCCN1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364312691 555289386 /nfs/dbraw/zinc/28/93/86/555289386.db2.gz ZLJYZCPHPQHIHQ-UHFFFAOYSA-N 0 3 362.430 2.028 20 5 FEBDHN CCCN(CCN1CCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512450346 561905415 /nfs/dbraw/zinc/90/54/15/561905415.db2.gz RKBGGYQZCKFZKC-UHFFFAOYSA-N 0 3 360.458 2.292 20 5 FEBDHN CN(C)CCN1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000365053262 555474457 /nfs/dbraw/zinc/47/44/57/555474457.db2.gz MEQQEODJOHUPMT-UHFFFAOYSA-N 0 3 361.368 2.082 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCc2nc(C)cn2C1 ZINC000365082279 555481142 /nfs/dbraw/zinc/48/11/42/555481142.db2.gz JQCICRUBYDFAMT-OLZOCXBDSA-N 0 3 373.413 2.040 20 5 FEBDHN CNc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000514770104 561978438 /nfs/dbraw/zinc/97/84/38/561978438.db2.gz LADNNSHKLDIESK-INIZCTEOSA-N 0 3 370.409 2.455 20 5 FEBDHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000514953504 561988558 /nfs/dbraw/zinc/98/85/58/561988558.db2.gz XVUCNYIJWJUEOO-XJKSGUPXSA-N 0 3 364.421 2.101 20 5 FEBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368382575 556293436 /nfs/dbraw/zinc/29/34/36/556293436.db2.gz ZNQJKBSOGCJEON-QWRGUYRKSA-N 0 3 350.375 2.148 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000368844269 556427751 /nfs/dbraw/zinc/42/77/51/556427751.db2.gz KJAZKBVHXMMTIS-UHFFFAOYSA-N 0 3 366.487 2.146 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369308982 556570814 /nfs/dbraw/zinc/57/08/14/556570814.db2.gz DLAQCZJEFGBDKK-DVBCCOPCSA-N 0 3 372.469 2.094 20 5 FEBDHN CN1CCC[C@@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000369412120 556594981 /nfs/dbraw/zinc/59/49/81/556594981.db2.gz PAULZJDCFOLTQZ-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccs1 ZINC000369560301 556631530 /nfs/dbraw/zinc/63/15/30/556631530.db2.gz GBIQADBWCOEUKB-QMTHXVAHSA-N 0 3 361.427 2.255 20 5 FEBDHN Cc1cccc(C)c1OC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369782305 556693012 /nfs/dbraw/zinc/69/30/12/556693012.db2.gz MMVQGJOHSVEFLH-QGZVFWFLSA-N 0 3 374.441 2.312 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502185 556893031 /nfs/dbraw/zinc/89/30/31/556893031.db2.gz AQWTWARFDFWZAO-MRXNPFEDSA-N 0 3 371.393 2.329 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCN([C@@H]2CCOC2)CC1 ZINC000370779782 556966251 /nfs/dbraw/zinc/96/62/51/556966251.db2.gz ORIAVIODCSVKHR-OAHLLOKOSA-N 0 3 367.833 2.160 20 5 FEBDHN Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359448 557160339 /nfs/dbraw/zinc/16/03/39/557160339.db2.gz JOSJATRYUYWBKD-NVXWUHKLSA-N 0 3 360.458 2.001 20 5 FEBDHN CN(C)[C@@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000371534471 557213636 /nfs/dbraw/zinc/21/36/36/557213636.db2.gz FPBQQBSDEVKBQS-AOIWGVFYSA-N 0 3 372.469 2.289 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000518020872 562102655 /nfs/dbraw/zinc/10/26/55/562102655.db2.gz UTKJTSUWGOBOLJ-UHFFFAOYSA-N 0 3 360.414 2.098 20 5 FEBDHN COc1cccc([C@@H]2C[C@H]2NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000519143036 562125720 /nfs/dbraw/zinc/12/57/20/562125720.db2.gz KXOAYHUOTXAUIN-BHYGNILZSA-N 0 3 358.394 2.489 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372368681 557452274 /nfs/dbraw/zinc/45/22/74/557452274.db2.gz VZLGAFKBPBKQDF-QAPCUYQASA-N 0 3 360.458 2.001 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000372465745 557478052 /nfs/dbraw/zinc/47/80/52/557478052.db2.gz WTYHQSRPXZGSIN-UHFFFAOYSA-N 0 3 355.822 2.167 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000373172769 557643460 /nfs/dbraw/zinc/64/34/60/557643460.db2.gz KROKIEXAUXODEY-ZDUSSCGKSA-N 0 3 363.395 2.202 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373809616 557764447 /nfs/dbraw/zinc/76/44/47/557764447.db2.gz JVCKAHRIFDJRGP-KBXCAEBGSA-N 0 3 363.414 2.193 20 5 FEBDHN C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896625 557947442 /nfs/dbraw/zinc/94/74/42/557947442.db2.gz OZZSAFNZFGIRCQ-SJLPKXTDSA-N 0 3 373.457 2.013 20 5 FEBDHN O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967337 557957341 /nfs/dbraw/zinc/95/73/41/557957341.db2.gz AXXRAPNIRRJKJQ-BZUAXINKSA-N 0 3 369.425 2.348 20 5 FEBDHN O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967337 557957343 /nfs/dbraw/zinc/95/73/43/557957343.db2.gz AXXRAPNIRRJKJQ-BZUAXINKSA-N 0 3 369.425 2.348 20 5 FEBDHN Cc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375089698 557976192 /nfs/dbraw/zinc/97/61/92/557976192.db2.gz KDNLHHWPWCUVBH-UHFFFAOYSA-N 0 3 374.397 2.333 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1Cn1ccnn1 ZINC000375828037 558085853 /nfs/dbraw/zinc/08/58/53/558085853.db2.gz ARNNNRVZXQKVMQ-INIZCTEOSA-N 0 3 372.429 2.378 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000375878880 558092880 /nfs/dbraw/zinc/09/28/80/558092880.db2.gz GLTTUTLQVDQULS-QGZVFWFLSA-N 0 3 360.458 2.144 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC(n3cc(Br)cn3)CC2)n1 ZINC000377964687 558453682 /nfs/dbraw/zinc/45/36/82/558453682.db2.gz PJXYWAKMKKWTJT-UHFFFAOYSA-N 0 3 369.223 2.087 20 5 FEBDHN COC(=O)[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000377985221 558458163 /nfs/dbraw/zinc/45/81/63/558458163.db2.gz CWRGKHMRWUGJKE-ZDUSSCGKSA-N 0 3 363.414 2.363 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000378495749 558569852 /nfs/dbraw/zinc/56/98/52/558569852.db2.gz MLYHAZUWIMOACI-LPHOPBHVSA-N 0 3 358.394 2.274 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000408081341 558644249 /nfs/dbraw/zinc/64/42/49/558644249.db2.gz UXRTUPZSQXRORZ-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)cc1OC ZINC000524774935 562234497 /nfs/dbraw/zinc/23/44/97/562234497.db2.gz JSGYHKGFLABZLV-LBPRGKRZSA-N 0 3 351.403 2.074 20 5 FEBDHN O=C(CCNC1(CO)Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411273037 558865660 /nfs/dbraw/zinc/86/56/60/558865660.db2.gz BYDLBSBQTDREOE-UHFFFAOYSA-N 0 3 355.394 2.043 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413057019 559073588 /nfs/dbraw/zinc/07/35/88/559073588.db2.gz WPOBSUFOYYERQF-NSHDSACASA-N 0 3 361.368 2.447 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000415423070 559234379 /nfs/dbraw/zinc/23/43/79/559234379.db2.gz FVWDWAIUJYQFMN-AWEZNQCLSA-N 0 3 362.430 2.174 20 5 FEBDHN Cc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416375750 559308387 /nfs/dbraw/zinc/30/83/87/559308387.db2.gz WHVXJCBJJKEKNN-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416658290 559328097 /nfs/dbraw/zinc/32/80/97/559328097.db2.gz FITZGJGQRURPQQ-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN COc1cc(CNCC(C)(C)C2(O)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000418136416 559391533 /nfs/dbraw/zinc/39/15/33/559391533.db2.gz RUYKVLXEVHMMFK-UHFFFAOYSA-N 0 3 368.430 2.269 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000420462515 559488748 /nfs/dbraw/zinc/48/87/48/559488748.db2.gz MVBWNKJCAPZDOQ-MRXNPFEDSA-N 0 3 363.439 2.444 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000420476009 559489681 /nfs/dbraw/zinc/48/96/81/559489681.db2.gz OOGUSPXDNHSNTB-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421700429 559549834 /nfs/dbraw/zinc/54/98/34/559549834.db2.gz DVSSJPKEHYQVCJ-JTQLQIEISA-N 0 3 373.356 2.371 20 5 FEBDHN C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H](N)c1ccccc1 ZINC000423821833 559640971 /nfs/dbraw/zinc/64/09/71/559640971.db2.gz FEEMBGWESLBWAT-SUMWQHHRSA-N 0 3 357.414 2.291 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000423944099 559647459 /nfs/dbraw/zinc/64/74/59/559647459.db2.gz RWACBCAFRPEMKQ-INIZCTEOSA-N 0 3 356.426 2.410 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424010524 559650815 /nfs/dbraw/zinc/65/08/15/559650815.db2.gz LFXQCZRWAITCJY-JKSUJKDBSA-N 0 3 359.357 2.309 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2C[C@H](N)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000424074359 559653824 /nfs/dbraw/zinc/65/38/24/559653824.db2.gz JYLCTQODJABEAP-OAHLLOKOSA-N 0 3 369.377 2.302 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCO1 ZINC000432549172 559860791 /nfs/dbraw/zinc/86/07/91/559860791.db2.gz HVLZOXMBHRCMCN-CYBMUJFWSA-N 0 3 360.414 2.307 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434348724 559898511 /nfs/dbraw/zinc/89/85/11/559898511.db2.gz DHJJSSAWQZXUCZ-INIZCTEOSA-N 0 3 374.441 2.384 20 5 FEBDHN CN(C)C1(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000438533296 559980241 /nfs/dbraw/zinc/98/02/41/559980241.db2.gz QXDSQISXZOOHOV-UHFFFAOYSA-N 0 3 357.414 2.209 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440417220 560010700 /nfs/dbraw/zinc/01/07/00/560010700.db2.gz CDVQUSYYAKVLNG-LLVKDONJSA-N 0 3 365.411 2.102 20 5 FEBDHN Cc1c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000440508774 560012945 /nfs/dbraw/zinc/01/29/45/560012945.db2.gz FENZCNFUJANOSM-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000440516646 560013334 /nfs/dbraw/zinc/01/33/34/560013334.db2.gz UHXRVZZALXDYIV-LJQANCHMSA-N 0 3 373.384 2.101 20 5 FEBDHN CNS(=O)(=O)c1ccc(NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443963816 560097490 /nfs/dbraw/zinc/09/74/90/560097490.db2.gz PGGOFQSPLHUNNX-UHFFFAOYSA-N 0 3 370.475 2.037 20 5 FEBDHN CCN1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000447816246 560169976 /nfs/dbraw/zinc/16/99/76/560169976.db2.gz IIQKIFXXMBNKCM-UHFFFAOYSA-N 0 3 370.837 2.084 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448895154 560205438 /nfs/dbraw/zinc/20/54/38/560205438.db2.gz NLDDZGCOFZUSOC-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)c1cccs1 ZINC000449214263 560220586 /nfs/dbraw/zinc/22/05/86/560220586.db2.gz WLTKSUTZYPWJOU-LBPRGKRZSA-N 0 3 369.468 2.155 20 5 FEBDHN CC[C@H](CO)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449374413 560227643 /nfs/dbraw/zinc/22/76/43/560227643.db2.gz AKXSHFSJQAGLGZ-LLVKDONJSA-N 0 3 364.183 2.402 20 5 FEBDHN COC(=O)COc1ccc(CNCC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449490633 560231913 /nfs/dbraw/zinc/23/19/13/560231913.db2.gz ZDPBQNMYIBKFLP-UHFFFAOYSA-N 0 3 370.377 2.003 20 5 FEBDHN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000449533676 560232961 /nfs/dbraw/zinc/23/29/61/560232961.db2.gz BMRVDOBYBPWWFU-PELKAZGASA-N 0 3 364.183 2.448 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000449696527 560237279 /nfs/dbraw/zinc/23/72/79/560237279.db2.gz KFKNFTSKQRPOPE-CQSZACIVSA-N 0 3 366.849 2.035 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931150 560245621 /nfs/dbraw/zinc/24/56/21/560245621.db2.gz NWWPSJHCIVUFDP-ZFWWWQNUSA-N 0 3 357.414 2.193 20 5 FEBDHN CC(C)N1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000450096237 560250582 /nfs/dbraw/zinc/25/05/82/560250582.db2.gz GOCDAFRVMGKSFQ-ZFWWWQNUSA-N 0 3 357.414 2.239 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450317944 560258457 /nfs/dbraw/zinc/25/84/57/560258457.db2.gz USSUHRGUNRUBAV-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409267 560305202 /nfs/dbraw/zinc/30/52/02/560305202.db2.gz AESAEOUJQDVBCI-JZXOWHBKSA-N 0 3 359.426 2.109 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500576 560310630 /nfs/dbraw/zinc/31/06/30/560310630.db2.gz OKVROCVJWRTZBR-CABCVRRESA-N 0 3 351.403 2.335 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000451543481 560313656 /nfs/dbraw/zinc/31/36/56/560313656.db2.gz BYYMXQVWZADCLI-SJLPKXTDSA-N 0 3 364.442 2.331 20 5 FEBDHN CC(C)[C@@H](CO)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451601260 560316835 /nfs/dbraw/zinc/31/68/35/560316835.db2.gz ULJPJDWUKWWMGU-IAGOWNOFSA-N 0 3 372.487 2.247 20 5 FEBDHN CCn1cc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000451898249 560335508 /nfs/dbraw/zinc/33/55/08/560335508.db2.gz VFCPEJJJDNLAOO-LBPRGKRZSA-N 0 3 361.402 2.499 20 5 FEBDHN CCN1CCN(CCC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452845818 560376092 /nfs/dbraw/zinc/37/60/92/560376092.db2.gz JTCCJOKDNNJNAH-SFHVURJKSA-N 0 3 374.485 2.328 20 5 FEBDHN CC[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000453099166 560383323 /nfs/dbraw/zinc/38/33/23/560383323.db2.gz YLDVTTSQSYHSEE-INIZCTEOSA-N 0 3 364.427 2.009 20 5 FEBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455137805 560471385 /nfs/dbraw/zinc/47/13/85/560471385.db2.gz JNSKNONZGDPXIA-UHFFFAOYSA-N 0 3 357.414 2.236 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccsc2)n1 ZINC000458213736 560609182 /nfs/dbraw/zinc/60/91/82/560609182.db2.gz CKFUDUIHKQDLGE-UHFFFAOYSA-N 0 3 351.432 2.077 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000458511507 560628794 /nfs/dbraw/zinc/62/87/94/560628794.db2.gz PQGZBHNMSGBRAR-GDBMZVCRSA-N 0 3 364.446 2.110 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)Cn3ccnn3)s2)cc1 ZINC000459699642 560702796 /nfs/dbraw/zinc/70/27/96/560702796.db2.gz OPGHWSBZZLIIHJ-CQSZACIVSA-N 0 3 359.411 2.066 20 5 FEBDHN COC(=O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470150024 560975295 /nfs/dbraw/zinc/97/52/95/560975295.db2.gz GBQJHKOBNMRTRV-BLLLJJGKSA-N 0 3 358.398 2.379 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000476668241 561125733 /nfs/dbraw/zinc/12/57/33/561125733.db2.gz KQXTWEJZVCXHHQ-HNNXBMFYSA-N 0 3 357.414 2.065 20 5 FEBDHN C[C@H]1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000533038974 562496520 /nfs/dbraw/zinc/49/65/20/562496520.db2.gz ZJJZNDOPAFXZPQ-CHWSQXEVSA-N 0 3 355.460 2.287 20 5 FEBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546571443 562637768 /nfs/dbraw/zinc/63/77/68/562637768.db2.gz NGAWVDMDTNUVSU-QGZVFWFLSA-N 0 3 367.471 2.283 20 5 FEBDHN O=[N+]([O-])c1sc(CNCCC2(O)CCOCC2)cc1Br ZINC000602660269 568012158 /nfs/dbraw/zinc/01/21/58/568012158.db2.gz BHMPXZBOIXCNDM-UHFFFAOYSA-N 0 3 365.249 2.440 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000569993605 568446906 /nfs/dbraw/zinc/44/69/06/568446906.db2.gz FHYXTPPUCKLAJJ-RHSMWYFYSA-N 0 3 357.414 2.141 20 5 FEBDHN CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)CC1 ZINC000736240060 599062703 /nfs/dbraw/zinc/06/27/03/599062703.db2.gz JNHSVTIOKRJQGJ-UHFFFAOYSA-N 0 3 371.445 2.476 20 5 FEBDHN CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000736240060 599062706 /nfs/dbraw/zinc/06/27/06/599062706.db2.gz JNHSVTIOKRJQGJ-UHFFFAOYSA-N 0 3 371.445 2.476 20 5 FEBDHN CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736457963 598500868 /nfs/dbraw/zinc/50/08/68/598500868.db2.gz SQJCCNAFEXYSNK-LBPRGKRZSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736457963 598500869 /nfs/dbraw/zinc/50/08/69/598500869.db2.gz SQJCCNAFEXYSNK-LBPRGKRZSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736457963 598500870 /nfs/dbraw/zinc/50/08/70/598500870.db2.gz SQJCCNAFEXYSNK-LBPRGKRZSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736457963 598500871 /nfs/dbraw/zinc/50/08/71/598500871.db2.gz SQJCCNAFEXYSNK-LBPRGKRZSA-N 0 3 360.422 2.236 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670181 609315180 /nfs/dbraw/zinc/31/51/80/609315180.db2.gz LQCQWRTZPWNXOX-NEPJUHHUSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670181 609315182 /nfs/dbraw/zinc/31/51/82/609315182.db2.gz LQCQWRTZPWNXOX-NEPJUHHUSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670181 609315184 /nfs/dbraw/zinc/31/51/84/609315184.db2.gz LQCQWRTZPWNXOX-NEPJUHHUSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670181 609315186 /nfs/dbraw/zinc/31/51/86/609315186.db2.gz LQCQWRTZPWNXOX-NEPJUHHUSA-N 0 3 372.433 2.235 20 5 FEBDHN Cc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813103183 674719574 /nfs/dbraw/zinc/71/95/74/674719574.db2.gz YSQKBIPUVGDGBK-LBPRGKRZSA-N 0 3 350.400 2.185 20 5 FEBDHN CC(COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813114873 674721499 /nfs/dbraw/zinc/72/14/99/674721499.db2.gz IHILUZSYZVMXJO-IPURGOFSSA-N 0 3 358.753 2.207 20 5 FEBDHN CC(COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813114876 674721564 /nfs/dbraw/zinc/72/15/64/674721564.db2.gz IHILUZSYZVMXJO-YACGNSKGSA-N 0 3 358.753 2.207 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[N+](=O)[O-] ZINC000813106986 674720467 /nfs/dbraw/zinc/72/04/67/674720467.db2.gz JPKKRVVIHWSFLV-ZDUSSCGKSA-N 0 3 370.427 2.073 20 5 FEBDHN CC(COC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)[N+](=O)[O-] ZINC000813109474 674720580 /nfs/dbraw/zinc/72/05/80/674720580.db2.gz UFOVDUVYTRHOGK-LLVKDONJSA-N 0 3 350.758 2.372 20 5 FEBDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000813509296 674754139 /nfs/dbraw/zinc/75/41/39/674754139.db2.gz WXBJUOZQJJUQCJ-QGZVFWFLSA-N 0 3 350.394 2.087 20 5 FEBDHN Cc1cccc(CCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000564869142 675070268 /nfs/dbraw/zinc/07/02/68/675070268.db2.gz PHBXGYZRXRHUGT-UHFFFAOYSA-N 0 3 363.439 2.294 20 5 FEBDHN COC1([C@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000817295974 675119188 /nfs/dbraw/zinc/11/91/88/675119188.db2.gz BITWTQHNBGRCMC-NSHDSACASA-N 0 3 371.821 2.360 20 5 FEBDHN CSC1(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000579294654 671725004 /nfs/dbraw/zinc/72/50/04/671725004.db2.gz VGKXYKCQSRHXKR-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000125473250 672012370 /nfs/dbraw/zinc/01/23/70/672012370.db2.gz BJTBGYPSSNYYJS-LLVKDONJSA-N 0 3 361.851 2.177 20 5 FEBDHN CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CCN(C)CC1 ZINC000589296074 672520606 /nfs/dbraw/zinc/52/06/06/672520606.db2.gz CEVGDBPKUJRSOM-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000591723158 672704813 /nfs/dbraw/zinc/70/48/13/672704813.db2.gz KWODYCINALTODG-UHFFFAOYSA-N 0 3 369.487 2.223 20 5 FEBDHN CCC1(O)CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591757516 672708379 /nfs/dbraw/zinc/70/83/79/672708379.db2.gz AHBVAALCUHZYTB-UHFFFAOYSA-N 0 3 356.444 2.042 20 5 FEBDHN CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(C)C1 ZINC000591924766 672721904 /nfs/dbraw/zinc/72/19/04/672721904.db2.gz JDEBVHRRAYHWST-OAHLLOKOSA-N 0 3 350.419 2.229 20 5 FEBDHN CC(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000592368073 672792635 /nfs/dbraw/zinc/79/26/35/672792635.db2.gz GDHKUOPIBHJTDA-AWEZNQCLSA-N 0 3 364.427 2.092 20 5 FEBDHN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603668 673131537 /nfs/dbraw/zinc/13/15/37/673131537.db2.gz YQYDHUHDBDPDHL-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603668 673131538 /nfs/dbraw/zinc/13/15/38/673131538.db2.gz YQYDHUHDBDPDHL-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594982966 673183037 /nfs/dbraw/zinc/18/30/37/673183037.db2.gz DGFFIQIUTQENNE-JSGCOSHPSA-N 0 3 352.387 2.194 20 5 FEBDHN COc1cc(CN[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636419 673277037 /nfs/dbraw/zinc/27/70/37/673277037.db2.gz YWLQQASJROLMEJ-UXIGCNINSA-N 0 3 356.394 2.398 20 5 FEBDHN COC(=O)COc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000462871721 673286809 /nfs/dbraw/zinc/28/68/09/673286809.db2.gz CSANCTOYYZCJNC-CQSZACIVSA-N 0 3 352.387 2.146 20 5 FEBDHN CCCN(C)CC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595873586 673333032 /nfs/dbraw/zinc/33/30/32/673333032.db2.gz MVHAFZMLJMNOCI-UHFFFAOYSA-N 0 3 357.476 2.079 20 5 FEBDHN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000732213509 673357620 /nfs/dbraw/zinc/35/76/20/673357620.db2.gz DVAPYEODVCMVBF-CYBMUJFWSA-N 0 3 352.822 2.355 20 5 FEBDHN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000596178492 673365414 /nfs/dbraw/zinc/36/54/14/673365414.db2.gz JIFSGLCJUFTPRZ-TZMCWYRMSA-N 0 3 353.854 2.105 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598613002 673590488 /nfs/dbraw/zinc/59/04/88/673590488.db2.gz UPXWQWAFQGJKCP-TZMCWYRMSA-N 0 3 355.460 2.172 20 5 FEBDHN NS(=O)(=O)c1c(NC[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599125807 673635093 /nfs/dbraw/zinc/63/50/93/673635093.db2.gz CFOKFIDSGOJQCH-CYBMUJFWSA-N 0 3 368.459 2.061 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1 ZINC000600119145 673742361 /nfs/dbraw/zinc/74/23/61/673742361.db2.gz JOMYCRWBXFIEER-NSHDSACASA-N 0 3 356.220 2.427 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2csc(C(F)(F)F)c2)c1 ZINC000600757928 673796966 /nfs/dbraw/zinc/79/69/66/673796966.db2.gz NEIDNLFXXQMHJS-JTQLQIEISA-N 0 3 350.322 2.022 20 5 FEBDHN COc1cc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891731 673913191 /nfs/dbraw/zinc/91/31/91/673913191.db2.gz OKWJRODJJBOHEF-NVXWUHKLSA-N 0 3 350.415 2.403 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCN1 ZINC000825147189 675638633 /nfs/dbraw/zinc/63/86/33/675638633.db2.gz CSZBEHDNTUEDRV-AWEZNQCLSA-N 0 3 366.849 2.035 20 5 FEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000604505414 675805585 /nfs/dbraw/zinc/80/55/85/675805585.db2.gz ZGHAHPYHRIGYGG-PWSUYJOCSA-N 0 3 353.806 2.368 20 5 FEBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000619466442 676377991 /nfs/dbraw/zinc/37/79/91/676377991.db2.gz JQMSEGFRMOGBBW-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000762358549 680748095 /nfs/dbraw/zinc/74/80/95/680748095.db2.gz LVQJWSHXSPIHKL-KBPBESRZSA-N 0 3 372.878 2.164 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N1CCCCC1 ZINC000839468276 680754435 /nfs/dbraw/zinc/75/44/35/680754435.db2.gz VFLPDZFBVPMJAH-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN O=C(N[C@H]1C[C@@H](NCc2csc(C3CCCC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022065504 680193469 /nfs/dbraw/zinc/19/34/69/680193469.db2.gz XZCXLLLOMNYMHA-AYRXBEOTSA-N 0 3 364.471 2.203 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000836089715 680419807 /nfs/dbraw/zinc/41/98/07/680419807.db2.gz PZWSLGRMFGMCTE-LBPRGKRZSA-N 0 3 368.821 2.128 20 5 FEBDHN O=C(NCC1CCN(Cc2cc(Cl)ccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399059 680460133 /nfs/dbraw/zinc/46/01/33/680460133.db2.gz HXSOGMQCFHNTOS-GDBMZVCRSA-N 0 3 369.824 2.473 20 5 FEBDHN CCN1CCN([C@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000766930655 680893452 /nfs/dbraw/zinc/89/34/52/680893452.db2.gz IALAGSFNOIATHJ-CYBMUJFWSA-N 0 3 352.435 2.050 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000772156668 681087974 /nfs/dbraw/zinc/08/79/74/681087974.db2.gz SDYDITLJCUWUES-STQMWFEESA-N 0 3 353.806 2.150 20 5 FEBDHN CC([C@@H](OC(=O)[C@H](C)Sc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879570 681158832 /nfs/dbraw/zinc/15/88/32/681158832.db2.gz XWWMSMRQNIMIHL-OUJBWJOFSA-N 0 3 368.390 2.385 20 5 FEBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000846613554 681267787 /nfs/dbraw/zinc/26/77/87/681267787.db2.gz HNPXIPPFGCAGFN-UHFFFAOYSA-N 0 3 371.235 2.310 20 5 FEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000846986674 681316969 /nfs/dbraw/zinc/31/69/69/681316969.db2.gz CKLSDQAGAAGQDL-LBPRGKRZSA-N 0 3 352.410 2.356 20 5 FEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352521 681527802 /nfs/dbraw/zinc/52/78/02/681527802.db2.gz QHSYCRUUUQBSHO-AAEUAGOBSA-N 0 3 361.427 2.346 20 5 FEBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(CC)C1 ZINC000850607232 681925214 /nfs/dbraw/zinc/92/52/14/681925214.db2.gz UZWUYLGIHXRISA-LBPRGKRZSA-N 0 3 368.821 2.129 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858452954 682969207 /nfs/dbraw/zinc/96/92/07/682969207.db2.gz OIIBBVVULIDMIE-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCOC23CCCCC3)cc1 ZINC000926152008 683083251 /nfs/dbraw/zinc/08/32/51/683083251.db2.gz ZCXNNAJCHKIUJC-MRXNPFEDSA-N 0 3 368.455 2.450 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928434154 683450239 /nfs/dbraw/zinc/45/02/39/683450239.db2.gz HMBSHPOGLRQQGT-TVQRCGJNSA-N 0 3 356.220 2.488 20 5 FEBDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930844182 683792006 /nfs/dbraw/zinc/79/20/06/683792006.db2.gz BQUZTIZVDOJEAE-RBSFLKMASA-N 0 3 357.451 2.047 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000931186036 683848712 /nfs/dbraw/zinc/84/87/12/683848712.db2.gz LVCIALXIKHKCFF-CHWSQXEVSA-N 0 3 367.833 2.160 20 5 FEBDHN CC1(C)CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1 ZINC000866327295 684092411 /nfs/dbraw/zinc/09/24/11/684092411.db2.gz ZFWFZFLXQRSLIB-UHFFFAOYSA-N 0 3 356.220 2.110 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931988020 684383446 /nfs/dbraw/zinc/38/34/46/684383446.db2.gz IJIAXCPKORBCGH-ZDUSSCGKSA-N 0 3 369.849 2.408 20 5 FEBDHN CC(C)N1CCN(CCCOC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000869897340 684665362 /nfs/dbraw/zinc/66/53/62/684665362.db2.gz QQJZBQAZHFNKLP-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000882768201 687479798 /nfs/dbraw/zinc/47/97/98/687479798.db2.gz USINUHRAMCSCNF-UHFFFAOYSA-N 0 3 371.434 2.291 20 5 FEBDHN Cc1cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000882813203 687500620 /nfs/dbraw/zinc/50/06/20/687500620.db2.gz HSLXTTJFLBEFAE-UHFFFAOYSA-N 0 3 352.460 2.275 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885855449 688169575 /nfs/dbraw/zinc/16/95/75/688169575.db2.gz RBONDAOKFAFVRJ-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885855450 688169856 /nfs/dbraw/zinc/16/98/56/688169856.db2.gz RBONDAOKFAFVRJ-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCOCC1 ZINC000885859417 688171163 /nfs/dbraw/zinc/17/11/63/688171163.db2.gz ZSXXZSICLHELAB-HNNXBMFYSA-N 0 3 365.455 2.056 20 5 FEBDHN CN(C)S(=O)(=O)C1(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000886737132 688298657 /nfs/dbraw/zinc/29/86/57/688298657.db2.gz UBZISJABMAATBY-HNNXBMFYSA-N 0 3 367.471 2.331 20 5 FEBDHN CN1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889731295 688813570 /nfs/dbraw/zinc/81/35/70/688813570.db2.gz HJSJBNBBKWYSFL-UHFFFAOYSA-N 0 3 371.235 2.204 20 5 FEBDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164905973 721562758 /nfs/dbraw/zinc/56/27/58/721562758.db2.gz IHQXKDWKIAGPRW-GOEBONIOSA-N 0 3 373.388 2.174 20 5 FEBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834793 889096551 /nfs/dbraw/zinc/09/65/51/889096551.db2.gz UYXMBEMSOICVLV-DGCLKSJQSA-N 0 3 361.402 2.484 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1CN(C)C ZINC000015360853 539616114 /nfs/dbraw/zinc/61/61/14/539616114.db2.gz KMSLOSFSBFLPEE-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000031465670 539908559 /nfs/dbraw/zinc/90/85/59/539908559.db2.gz URRYVWXHSGQFLU-UHFFFAOYSA-N 0 3 356.382 2.139 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)NC[C@H](C)N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000033093498 539967131 /nfs/dbraw/zinc/96/71/31/539967131.db2.gz JCGZYFWONAVMSA-LBPRGKRZSA-N 0 3 359.430 2.136 20 5 FEBDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000041642048 540028558 /nfs/dbraw/zinc/02/85/58/540028558.db2.gz YFUJGYAJBQKAJT-INIZCTEOSA-N 0 3 362.430 2.160 20 5 FEBDHN C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000046408825 540255949 /nfs/dbraw/zinc/25/59/49/540255949.db2.gz LTMAVNXAXRPTFU-HNNXBMFYSA-N 0 3 360.458 2.412 20 5 FEBDHN CN(C)CCOc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000047296988 540302315 /nfs/dbraw/zinc/30/23/15/540302315.db2.gz AHQRDHLGRLYQSG-UHFFFAOYSA-N 0 3 372.425 2.377 20 5 FEBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047460166 540312685 /nfs/dbraw/zinc/31/26/85/540312685.db2.gz FJXHUEBUMCCCCM-ZDUSSCGKSA-N 0 3 370.409 2.413 20 5 FEBDHN CN(CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000049304912 540387176 /nfs/dbraw/zinc/38/71/76/540387176.db2.gz GZCREXXPMMCRMZ-UHFFFAOYSA-N 0 3 370.409 2.172 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000049969130 540395376 /nfs/dbraw/zinc/39/53/76/540395376.db2.gz YVJPFGRGFAIZIC-AWEZNQCLSA-N 0 3 364.446 2.204 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000052660701 540480325 /nfs/dbraw/zinc/48/03/25/540480325.db2.gz YQEYTWHNJDGEOM-AWEZNQCLSA-N 0 3 364.446 2.204 20 5 FEBDHN CNS(=O)(=O)c1ccc(N[C@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981047 540619587 /nfs/dbraw/zinc/61/95/87/540619587.db2.gz FHEOGOUHEBVLSS-CHWSQXEVSA-N 0 3 370.475 2.035 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000056091108 540702075 /nfs/dbraw/zinc/70/20/75/540702075.db2.gz PUDRUSWDFKQPSH-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000066483801 541325738 /nfs/dbraw/zinc/32/57/38/541325738.db2.gz ANRVSUBKIVAOQN-MDZRGWNJSA-N 0 3 365.474 2.275 20 5 FEBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(C)CC1 ZINC000067148473 541425221 /nfs/dbraw/zinc/42/52/21/541425221.db2.gz RUYVANPAGUEHRF-CQSZACIVSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067392996 541454826 /nfs/dbraw/zinc/45/48/26/541454826.db2.gz SVOLXCFTXBQABQ-CYBMUJFWSA-N 0 3 362.430 2.160 20 5 FEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067392997 541455221 /nfs/dbraw/zinc/45/52/21/541455221.db2.gz SVOLXCFTXBQABQ-ZDUSSCGKSA-N 0 3 362.430 2.160 20 5 FEBDHN Cc1ccc(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067487039 541471044 /nfs/dbraw/zinc/47/10/44/541471044.db2.gz UFWZBQIAGAJVPF-OAHLLOKOSA-N 0 3 350.419 2.118 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000068178579 541558691 /nfs/dbraw/zinc/55/86/91/541558691.db2.gz KBXUKRTXDRYXHU-CYBMUJFWSA-N 0 3 363.443 2.115 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)N(C)C)CC1 ZINC000068367687 541583342 /nfs/dbraw/zinc/58/33/42/541583342.db2.gz RKDAPEUOKUTZRV-UHFFFAOYSA-N 0 3 362.430 2.032 20 5 FEBDHN CN(C)[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000068486508 541598433 /nfs/dbraw/zinc/59/84/33/541598433.db2.gz JOHYWAFXKSKQFT-INIZCTEOSA-N 0 3 360.458 2.364 20 5 FEBDHN Cc1c(C(=O)N2CCCN(C(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068777443 541626875 /nfs/dbraw/zinc/62/68/75/541626875.db2.gz WJLUZXOLQSPOND-UHFFFAOYSA-N 0 3 350.375 2.368 20 5 FEBDHN O=C(CN1CCC[C@@H]1CN1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069076568 541654254 /nfs/dbraw/zinc/65/42/54/541654254.db2.gz LBNLDFFKXGQNCE-GOSISDBHSA-N 0 3 372.469 2.434 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073052771 541913713 /nfs/dbraw/zinc/91/37/13/541913713.db2.gz CPAWLVHHQBSTOH-AWEZNQCLSA-N 0 3 365.430 2.001 20 5 FEBDHN COc1cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000075675532 542197187 /nfs/dbraw/zinc/19/71/87/542197187.db2.gz MAJLNAHZFVPVIE-AWEZNQCLSA-N 0 3 366.443 2.015 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000076387758 542271915 /nfs/dbraw/zinc/27/19/15/542271915.db2.gz URIDSAJLNPTBET-OAHLLOKOSA-N 0 3 371.441 2.223 20 5 FEBDHN Cc1ccc(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000077452482 542383975 /nfs/dbraw/zinc/38/39/75/542383975.db2.gz CHXMWMVBVDCOIG-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000078687122 542476677 /nfs/dbraw/zinc/47/66/77/542476677.db2.gz URMRDNDMIIJWIZ-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN COc1cc(C(=O)NCc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000101646017 543038820 /nfs/dbraw/zinc/03/88/20/543038820.db2.gz PNOHHQCKXNWWTF-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COCCN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106107063 543198625 /nfs/dbraw/zinc/19/86/25/543198625.db2.gz MCBCACJSWVUXGP-HNNXBMFYSA-N 0 3 374.441 2.445 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109293948 543320771 /nfs/dbraw/zinc/32/07/71/543320771.db2.gz ZUMBSJMSZPFPOZ-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN CCN(CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC1 ZINC000112079372 543429830 /nfs/dbraw/zinc/42/98/30/543429830.db2.gz YSRUZASMISBHRX-UHFFFAOYSA-N 0 3 357.414 2.456 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247479928 549341714 /nfs/dbraw/zinc/34/17/14/549341714.db2.gz SRHRDORYWPLEHI-SUMWQHHRSA-N 0 3 357.414 2.193 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123957335 543793403 /nfs/dbraw/zinc/79/34/03/543793403.db2.gz FMLBXBKUQLXJSQ-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccncc2)CC1 ZINC000125286995 543872857 /nfs/dbraw/zinc/87/28/57/543872857.db2.gz RQWXVMUOXZAASR-UHFFFAOYSA-N 0 3 369.425 2.449 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCCCO1 ZINC000126039410 543914723 /nfs/dbraw/zinc/91/47/23/543914723.db2.gz ODTPTIVZBOESFY-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130925894 544170785 /nfs/dbraw/zinc/17/07/85/544170785.db2.gz IIFPCKBRCYVGOX-UHFFFAOYSA-N 0 3 355.460 2.231 20 5 FEBDHN C[C@H](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000133353093 544266006 /nfs/dbraw/zinc/26/60/06/544266006.db2.gz UELUKSOVDNMDRO-YYUOZPCZSA-N 0 3 350.444 2.242 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H]2COCC[C@@H]21 ZINC000135526791 544351029 /nfs/dbraw/zinc/35/10/29/544351029.db2.gz KIANFSXOAYDWNZ-HOTGVXAUSA-N 0 3 365.455 2.438 20 5 FEBDHN COc1cc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000150797742 544473593 /nfs/dbraw/zinc/47/35/93/544473593.db2.gz HKOXZOAPYUCHMS-CYBMUJFWSA-N 0 3 371.459 2.004 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c(Cl)c1 ZINC000151635443 544564852 /nfs/dbraw/zinc/56/48/52/544564852.db2.gz NQZCLZZBMNITGI-GFCCVEGCSA-N 0 3 373.862 2.355 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000153374573 544767740 /nfs/dbraw/zinc/76/77/40/544767740.db2.gz RHJFVEAACUYWEE-AWEZNQCLSA-N 0 3 353.444 2.031 20 5 FEBDHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000153433846 544774676 /nfs/dbraw/zinc/77/46/76/544774676.db2.gz YPTCHMFDIBPEQU-UHFFFAOYSA-N 0 3 361.377 2.099 20 5 FEBDHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000153433846 544774678 /nfs/dbraw/zinc/77/46/78/544774678.db2.gz YPTCHMFDIBPEQU-UHFFFAOYSA-N 0 3 361.377 2.099 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000179986200 327667372 /nfs/dbraw/zinc/66/73/72/327667372.db2.gz FDEUARPIIJBRAU-UHFFFAOYSA-N 0 3 357.366 2.315 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000184448752 327868083 /nfs/dbraw/zinc/86/80/83/327868083.db2.gz XMFCDJREASMTEP-INIZCTEOSA-N 0 3 367.471 2.375 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188621218 328099412 /nfs/dbraw/zinc/09/94/12/328099412.db2.gz SDHTWJXFKJFPLX-CQSZACIVSA-N 0 3 362.430 2.242 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189167144 328132744 /nfs/dbraw/zinc/13/27/44/328132744.db2.gz ZPAREWZZMCGGGZ-OAHLLOKOSA-N 0 3 353.444 2.186 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000189442379 328148518 /nfs/dbraw/zinc/14/85/18/328148518.db2.gz QHSURBYSBCTBDL-OAHLLOKOSA-N 0 3 350.463 2.427 20 5 FEBDHN CCCn1ccnc1CCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191473037 328267465 /nfs/dbraw/zinc/26/74/65/328267465.db2.gz XHWYPCGKLMQPLV-UHFFFAOYSA-N 0 3 359.430 2.365 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)n1 ZINC000191495167 328268349 /nfs/dbraw/zinc/26/83/49/328268349.db2.gz QRWQGNKHVBGKNG-UHFFFAOYSA-N 0 3 361.402 2.141 20 5 FEBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000192221181 328307513 /nfs/dbraw/zinc/30/75/13/328307513.db2.gz LAXDACLCWWFLKQ-OAHLLOKOSA-N 0 3 359.382 2.209 20 5 FEBDHN CC(C)C(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000192884241 328344924 /nfs/dbraw/zinc/34/49/24/328344924.db2.gz UVWZPHQBBJRKBG-ZDUSSCGKSA-N 0 3 362.430 2.158 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000194661130 328434799 /nfs/dbraw/zinc/43/47/99/328434799.db2.gz ZCYPGQXBGJWPKU-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN O=C(C1CCN(C2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000195271366 328466578 /nfs/dbraw/zinc/46/65/78/328466578.db2.gz OBSUYPRDQNJSLW-UHFFFAOYSA-N 0 3 358.442 2.118 20 5 FEBDHN NC(=O)c1ccc(CN2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000022357148 324398716 /nfs/dbraw/zinc/39/87/16/324398716.db2.gz LMIYWHOMYJJOAR-UHFFFAOYSA-N 0 3 368.437 2.402 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055573205 324781781 /nfs/dbraw/zinc/78/17/81/324781781.db2.gz HPHKJEIMZRGSHV-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000104922780 325551126 /nfs/dbraw/zinc/55/11/26/325551126.db2.gz ZQMFLTGLSWWIDX-UHFFFAOYSA-N 0 3 369.421 2.482 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000106363923 325595111 /nfs/dbraw/zinc/59/51/11/325595111.db2.gz RCQJNFPTQQFTJR-LBPRGKRZSA-N 0 3 350.375 2.286 20 5 FEBDHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000112255634 325763725 /nfs/dbraw/zinc/76/37/25/325763725.db2.gz DNESIGCZBSDLHS-UHFFFAOYSA-N 0 3 372.381 2.266 20 5 FEBDHN Cc1c(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000118792930 326102527 /nfs/dbraw/zinc/10/25/27/326102527.db2.gz OGVXVTDTZAQUDY-AWEZNQCLSA-N 0 3 350.419 2.478 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000120130855 326232986 /nfs/dbraw/zinc/23/29/86/326232986.db2.gz DKOQXCJROKXMRQ-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000122855362 326411771 /nfs/dbraw/zinc/41/17/71/326411771.db2.gz JHELNSHPKDVNIV-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000123099745 326419839 /nfs/dbraw/zinc/41/98/39/326419839.db2.gz ZPGSHRHFCIQAMP-CYBMUJFWSA-N 0 3 357.414 2.284 20 5 FEBDHN Cc1nn(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000127890577 326514344 /nfs/dbraw/zinc/51/43/44/326514344.db2.gz JBOIXNHCFVAIIC-UHFFFAOYSA-N 0 3 357.414 2.031 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000132219290 326589032 /nfs/dbraw/zinc/58/90/32/326589032.db2.gz AXXXAISNWLLAPD-HNNXBMFYSA-N 0 3 350.415 2.491 20 5 FEBDHN COCCCN1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136859014 326655881 /nfs/dbraw/zinc/65/58/81/326655881.db2.gz XKUMGWLHGGWFFM-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151627516 326687177 /nfs/dbraw/zinc/68/71/77/326687177.db2.gz AYRXABLXEYSWMN-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000157201399 326858199 /nfs/dbraw/zinc/85/81/99/326858199.db2.gz JDATWJBLUTVYTR-UHFFFAOYSA-N 0 3 373.409 2.270 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159501601 326933505 /nfs/dbraw/zinc/93/35/05/326933505.db2.gz IRKUIOHCWHAACX-UHFFFAOYSA-N 0 3 359.430 2.440 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164232125 327067057 /nfs/dbraw/zinc/06/70/57/327067057.db2.gz VABKQZMTMSFPDJ-JSGCOSHPSA-N 0 3 362.386 2.368 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713257 327095177 /nfs/dbraw/zinc/09/51/77/327095177.db2.gz RAONSGDHWVFUDW-CQSZACIVSA-N 0 3 362.430 2.102 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544422 327207240 /nfs/dbraw/zinc/20/72/40/327207240.db2.gz ISIZJDKDCNVWIW-ZDUSSCGKSA-N 0 3 362.430 2.101 20 5 FEBDHN COc1ccccc1NC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000172720833 327215254 /nfs/dbraw/zinc/21/52/54/327215254.db2.gz YIBIIINGYPMXLO-UHFFFAOYSA-N 0 3 373.413 2.151 20 5 FEBDHN C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343806 327250958 /nfs/dbraw/zinc/25/09/58/327250958.db2.gz LTUXUJNIZPUQBF-WMLDXEAASA-N 0 3 351.472 2.453 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173992751 327300049 /nfs/dbraw/zinc/30/00/49/327300049.db2.gz BJOTXUQGLBSHIO-LBPRGKRZSA-N 0 3 361.851 2.353 20 5 FEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718342 327345502 /nfs/dbraw/zinc/34/55/02/327345502.db2.gz UFDOBDYYTPUNDW-GXFFZTMASA-N 0 3 356.329 2.104 20 5 FEBDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738122 327347564 /nfs/dbraw/zinc/34/75/64/327347564.db2.gz IJOUKVUOOFGVMW-AWEZNQCLSA-N 0 3 358.320 2.303 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176431510 327455464 /nfs/dbraw/zinc/45/54/64/327455464.db2.gz ALLSLFIFZVVQFD-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@H]1c1cccnc1 ZINC000261836700 328823471 /nfs/dbraw/zinc/82/34/71/328823471.db2.gz UEUOXZKJWBTKLS-SFHVURJKSA-N 0 3 369.425 2.273 20 5 FEBDHN Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000264441394 329023455 /nfs/dbraw/zinc/02/34/55/329023455.db2.gz FVBFTCCZNSJWHB-UHFFFAOYSA-N 0 3 357.414 2.202 20 5 FEBDHN CN1CCC(O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000265893597 329170350 /nfs/dbraw/zinc/17/03/50/329170350.db2.gz SDAOASAFPIIFCX-UHFFFAOYSA-N 0 3 362.455 2.265 20 5 FEBDHN COCCCN(C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266181797 329198057 /nfs/dbraw/zinc/19/80/57/329198057.db2.gz YEGGFLUYQMTIMQ-UHFFFAOYSA-N 0 3 373.837 2.102 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530212 329233265 /nfs/dbraw/zinc/23/32/65/329233265.db2.gz LXOWVAJFZJAMIY-CJNGLKHVSA-N 0 3 350.806 2.295 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000267097735 329291660 /nfs/dbraw/zinc/29/16/60/329291660.db2.gz JXGCTZAQMWIINQ-QGZVFWFLSA-N 0 3 362.455 2.103 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267479890 329331801 /nfs/dbraw/zinc/33/18/01/329331801.db2.gz UYFCITZMXVVAKW-CJNGLKHVSA-N 0 3 371.441 2.277 20 5 FEBDHN COC(=O)C1CCN(CCCNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268193896 329395296 /nfs/dbraw/zinc/39/52/96/329395296.db2.gz WYFCSURSHCIFRF-UHFFFAOYSA-N 0 3 369.393 2.430 20 5 FEBDHN Cc1[nH]nc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000268624749 329440223 /nfs/dbraw/zinc/44/02/23/329440223.db2.gz CLDNNFYFSWPABA-UHFFFAOYSA-N 0 3 373.413 2.083 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271723532 329719247 /nfs/dbraw/zinc/71/92/47/329719247.db2.gz RWVDVYBUWIKRAQ-ZDUSSCGKSA-N 0 3 350.419 2.066 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271723529 329719339 /nfs/dbraw/zinc/71/93/39/329719339.db2.gz RWVDVYBUWIKRAQ-CYBMUJFWSA-N 0 3 350.419 2.066 20 5 FEBDHN COc1cc(OCC(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272149097 329755829 /nfs/dbraw/zinc/75/58/29/329755829.db2.gz FUIPIXZZRRDMDC-CYBMUJFWSA-N 0 3 365.430 2.171 20 5 FEBDHN COc1cc(CNC[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272449668 329782194 /nfs/dbraw/zinc/78/21/94/329782194.db2.gz PKRGQSUXGUHYEZ-GXFFZTMASA-N 0 3 360.357 2.498 20 5 FEBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC000273490035 329868937 /nfs/dbraw/zinc/86/89/37/329868937.db2.gz WOCQNTZHLNXKJC-XHSDSOJGSA-N 0 3 368.455 2.162 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000273517436 329871048 /nfs/dbraw/zinc/87/10/48/329871048.db2.gz NGLBTYYEZGUGMA-AWEZNQCLSA-N 0 3 369.487 2.129 20 5 FEBDHN CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275116851 330012236 /nfs/dbraw/zinc/01/22/36/330012236.db2.gz MJGUIPSDMXJXAB-HOCLYGCPSA-N 0 3 365.455 2.012 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746187 330084362 /nfs/dbraw/zinc/08/43/62/330084362.db2.gz UGIPGSFXZOVCHE-LBPRGKRZSA-N 0 3 358.402 2.097 20 5 FEBDHN Cc1n[n-]c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746187 330084364 /nfs/dbraw/zinc/08/43/64/330084364.db2.gz UGIPGSFXZOVCHE-LBPRGKRZSA-N 0 3 358.402 2.097 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217310 330231468 /nfs/dbraw/zinc/23/14/68/330231468.db2.gz LVXWBBMKWJGRME-JLSDUUJJSA-N 0 3 358.442 2.259 20 5 FEBDHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158578 330273909 /nfs/dbraw/zinc/27/39/09/330273909.db2.gz KAONZHUYWIONEC-SKDRFNHKSA-N 0 3 372.219 2.310 20 5 FEBDHN COCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187589 330275667 /nfs/dbraw/zinc/27/56/67/330275667.db2.gz OLVLOJIKOHYVDA-HUUCEWRRSA-N 0 3 370.471 2.179 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157130018 545703670 /nfs/dbraw/zinc/70/36/70/545703670.db2.gz NLLQNAVSYUPBRH-RDTXWAMCSA-N 0 3 369.425 2.337 20 5 FEBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000158557339 545872283 /nfs/dbraw/zinc/87/22/83/545872283.db2.gz USCCSKYZWXIMIW-LLVKDONJSA-N 0 3 359.473 2.294 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176403537 546441373 /nfs/dbraw/zinc/44/13/73/546441373.db2.gz ZNOPSOLWPNGGKX-UHFFFAOYSA-N 0 3 358.402 2.283 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(NCCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000480393176 561208451 /nfs/dbraw/zinc/20/84/51/561208451.db2.gz IISXUVCXOSUOQS-UHFFFAOYSA-N 0 3 357.414 2.457 20 5 FEBDHN COc1cc(S(=O)(=O)NCC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000480785088 561216773 /nfs/dbraw/zinc/21/67/73/561216773.db2.gz FYNBOYRGDFAGEQ-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN COc1cnccc1N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481066311 561224379 /nfs/dbraw/zinc/22/43/79/561224379.db2.gz BBMQEHDXTNRJKI-UHFFFAOYSA-N 0 3 354.370 2.201 20 5 FEBDHN Cc1c(Br)cc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000178682115 546831743 /nfs/dbraw/zinc/83/17/43/546831743.db2.gz XAJQUWORGKPOHJ-UHFFFAOYSA-N 0 3 356.220 2.491 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000483407318 561276301 /nfs/dbraw/zinc/27/63/01/561276301.db2.gz MXVHAGDZXWNZLV-GJZGRUSLSA-N 0 3 353.419 2.386 20 5 FEBDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181665117 547355229 /nfs/dbraw/zinc/35/52/29/547355229.db2.gz FSKSQEQPWZSNLI-UHFFFAOYSA-N 0 3 366.393 2.005 20 5 FEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCN(C2CCCC2)CC1 ZINC000182073111 547432190 /nfs/dbraw/zinc/43/21/90/547432190.db2.gz HKJXMNKVFQZDED-UHFFFAOYSA-N 0 3 361.398 2.414 20 5 FEBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC000182229888 547456942 /nfs/dbraw/zinc/45/69/42/547456942.db2.gz ZAWBHXKGGXVMKS-DZGCQCFKSA-N 0 3 360.414 2.077 20 5 FEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000182382787 547481669 /nfs/dbraw/zinc/48/16/69/547481669.db2.gz AZCRCCRGLNDHJU-RBOXIYTFSA-N 0 3 351.403 2.478 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000182429411 547491345 /nfs/dbraw/zinc/49/13/45/547491345.db2.gz QWPIXGVQNSCUTR-CJNGLKHVSA-N 0 3 362.430 2.229 20 5 FEBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(OCCN(C)C)c1 ZINC000183580712 547684120 /nfs/dbraw/zinc/68/41/20/547684120.db2.gz MUZRIPMSOVFBGB-UHFFFAOYSA-N 0 3 359.386 2.073 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)C1CCCCC1 ZINC000183717015 547706242 /nfs/dbraw/zinc/70/62/42/547706242.db2.gz JCXXHEBZPWJTNY-OAHLLOKOSA-N 0 3 365.430 2.463 20 5 FEBDHN CCN(CCO)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000184538036 547842443 /nfs/dbraw/zinc/84/24/43/547842443.db2.gz FHBCNCHZUDJREJ-UHFFFAOYSA-N 0 3 350.444 2.122 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000194773174 548530177 /nfs/dbraw/zinc/53/01/77/548530177.db2.gz UAQZTNXGZLEGGI-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]CC[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000237322473 548817368 /nfs/dbraw/zinc/81/73/68/548817368.db2.gz NVUPHQDZJJITKQ-UHFFFAOYSA-N 0 3 371.459 2.194 20 5 FEBDHN Cn1cc(CNCCNC(=O)C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237784152 548853088 /nfs/dbraw/zinc/85/30/88/548853088.db2.gz BCWBXGWSJISJLM-UHFFFAOYSA-N 0 3 359.430 2.247 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095696 561383393 /nfs/dbraw/zinc/38/33/93/561383393.db2.gz RSQVTSVLPJXBIN-CXAGYDPISA-N 0 3 364.446 2.202 20 5 FEBDHN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H](N)c1ccccc1 ZINC000246303450 549101533 /nfs/dbraw/zinc/10/15/33/549101533.db2.gz OEAXFBGBXYONFS-JOQOYGCGSA-N 0 3 369.425 2.339 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CCc3ccccc3)C2)nc1 ZINC000248568700 549459801 /nfs/dbraw/zinc/45/98/01/549459801.db2.gz LNWSSGLSTMUDCD-AEFFLSMTSA-N 0 3 356.426 2.470 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000249259690 549573211 /nfs/dbraw/zinc/57/32/11/549573211.db2.gz YWMRNZBJVUMNFA-CABCVRRESA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1nn(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000263652047 549913827 /nfs/dbraw/zinc/91/38/27/549913827.db2.gz HHDOVVFUISAFDN-QGZVFWFLSA-N 0 3 371.441 2.189 20 5 FEBDHN CCC(CC)(CC(=O)OC)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000268515694 550080409 /nfs/dbraw/zinc/08/04/09/550080409.db2.gz YTUJHVVWHYUFRD-UHFFFAOYSA-N 0 3 363.414 2.195 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147485 550160801 /nfs/dbraw/zinc/16/08/01/550160801.db2.gz QBLHMMYQYJMXBQ-DGCLKSJQSA-N 0 3 373.862 2.353 20 5 FEBDHN CN(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000272587997 550459249 /nfs/dbraw/zinc/45/92/49/550459249.db2.gz VZMFGOSDBSPEDF-NSHDSACASA-N 0 3 370.456 2.019 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273402787 550497405 /nfs/dbraw/zinc/49/74/05/550497405.db2.gz PGZLXYINFZJWFB-FMKPAKJESA-N 0 3 352.431 2.063 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000274211457 550527991 /nfs/dbraw/zinc/52/79/91/550527991.db2.gz AWGQOUJDRQYORS-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000278365949 550777448 /nfs/dbraw/zinc/77/74/48/550777448.db2.gz BNVBNDAPRGMQCJ-CYBMUJFWSA-N 0 3 360.414 2.421 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000278448639 550787363 /nfs/dbraw/zinc/78/73/63/550787363.db2.gz AEDYCAQBTCWXIJ-CYBMUJFWSA-N 0 3 372.425 2.401 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000279854452 550936219 /nfs/dbraw/zinc/93/62/19/550936219.db2.gz PFCOWLZGQDPSMH-MEBBXXQBSA-N 0 3 355.797 2.482 20 5 FEBDHN C[C@@H]1OCC[C@@]12CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969354 550948268 /nfs/dbraw/zinc/94/82/68/550948268.db2.gz YUJKKLYQPZSVKY-QWQRMKEZSA-N 0 3 363.414 2.192 20 5 FEBDHN CNC(=O)[C@@]1(C)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658500 551018630 /nfs/dbraw/zinc/01/86/30/551018630.db2.gz DSUJMWUPJQAXSG-GTNSWQLSSA-N 0 3 359.386 2.164 20 5 FEBDHN COc1cc(C(=O)NC2(CN(C)C)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000280997924 551053280 /nfs/dbraw/zinc/05/32/80/551053280.db2.gz CYTDLESUDOSJTG-UHFFFAOYSA-N 0 3 373.356 2.419 20 5 FEBDHN O=C(NCCNc1ccncc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497579847 561504245 /nfs/dbraw/zinc/50/42/45/561504245.db2.gz UOOQUOVASIYYDZ-UHFFFAOYSA-N 0 3 369.406 2.377 20 5 FEBDHN O=C(CCN1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157288 551320665 /nfs/dbraw/zinc/32/06/65/551320665.db2.gz CTLRIEYBOSKLSG-OCCSQVGLSA-N 0 3 361.320 2.311 20 5 FEBDHN COc1ccc([C@H](CN(C)C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000284593153 551585335 /nfs/dbraw/zinc/58/53/35/551585335.db2.gz ZTKZMLDGOYHZFS-INIZCTEOSA-N 0 3 373.409 2.401 20 5 FEBDHN CN1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000284641701 551596889 /nfs/dbraw/zinc/59/68/89/551596889.db2.gz OBWIAWDRKYHZEK-HIFRSBDPSA-N 0 3 357.357 2.101 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922076 561537979 /nfs/dbraw/zinc/53/79/79/561537979.db2.gz BFMNSIFFGZZSSZ-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN COC(=O)c1cnc(N(C)CCCN(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286551989 551899180 /nfs/dbraw/zinc/89/91/80/551899180.db2.gz OVPZLOVPMUOFJO-UHFFFAOYSA-N 0 3 362.386 2.328 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394435 551998521 /nfs/dbraw/zinc/99/85/21/551998521.db2.gz YLPAMGUJVUOIHT-RDTXWAMCSA-N 0 3 369.425 2.479 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000287842644 552053582 /nfs/dbraw/zinc/05/35/82/552053582.db2.gz QRROVDYLOQGGNU-LBPRGKRZSA-N 0 3 351.403 2.167 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343671 552137155 /nfs/dbraw/zinc/13/71/55/552137155.db2.gz JYHYPHYAGVDPSI-OLZOCXBDSA-N 0 3 364.421 2.499 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000288823514 552219384 /nfs/dbraw/zinc/21/93/84/552219384.db2.gz IJERFZIRCGTCTO-DLBZAZTESA-N 0 3 373.457 2.415 20 5 FEBDHN CC[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289483183 552328439 /nfs/dbraw/zinc/32/84/39/552328439.db2.gz KFTHTRHMSOAMGR-JTQLQIEISA-N 0 3 350.156 2.060 20 5 FEBDHN COc1cc(C(=O)N(C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000289999944 552412248 /nfs/dbraw/zinc/41/22/48/552412248.db2.gz IICIQXTUXNQELB-UHFFFAOYSA-N 0 3 373.356 2.371 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500876868 561584835 /nfs/dbraw/zinc/58/48/35/561584835.db2.gz TYCWUQCCHIUFAI-HNNXBMFYSA-N 0 3 362.474 2.015 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292501651 552732638 /nfs/dbraw/zinc/73/26/38/552732638.db2.gz GZPBHDSCZINWPG-INIZCTEOSA-N 0 3 355.341 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292916083 552770824 /nfs/dbraw/zinc/77/08/24/552770824.db2.gz XNKQIGOKSWGYIZ-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN CCC[C@H](C)C(=O)NCCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590300 552838372 /nfs/dbraw/zinc/83/83/72/552838372.db2.gz CRQOIUKNSBBDBT-UONOGXRCSA-N 0 3 364.446 2.454 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294313151 552896040 /nfs/dbraw/zinc/89/60/40/552896040.db2.gz WLJAFVZHPPQXMS-GOSISDBHSA-N 0 3 364.421 2.358 20 5 FEBDHN C[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](C)CO ZINC000295789986 553059329 /nfs/dbraw/zinc/05/93/29/553059329.db2.gz RMGPEUFDEXGFOM-GHMZBOCLSA-N 0 3 364.427 2.263 20 5 FEBDHN C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502281616 561615579 /nfs/dbraw/zinc/61/55/79/561615579.db2.gz LIFVZXRJQSSLKH-WQVCFCJDSA-N 0 3 353.444 2.041 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277677 553133814 /nfs/dbraw/zinc/13/38/14/553133814.db2.gz OREPDJXOGMJOFJ-QGTPRVQTSA-N 0 3 357.410 2.031 20 5 FEBDHN CC(C)(CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N+](=O)[O-] ZINC000296897645 553226686 /nfs/dbraw/zinc/22/66/86/553226686.db2.gz VRPMJSTXZVATNA-KRWDZBQOSA-N 0 3 363.458 2.229 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000298160613 553391967 /nfs/dbraw/zinc/39/19/67/553391967.db2.gz QCOMQUNZPLVPJM-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN O=C1[C@H](N[C@@H]2CCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000503531269 561644024 /nfs/dbraw/zinc/64/40/24/561644024.db2.gz VXWXYGSUCIMQBP-MGPQQGTHSA-N 0 3 355.341 2.450 20 5 FEBDHN CN(C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccsc1 ZINC000298772379 553471008 /nfs/dbraw/zinc/47/10/08/553471008.db2.gz FTXIYFHHVRLAQP-CQSZACIVSA-N 0 3 370.456 2.019 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000299397953 553557720 /nfs/dbraw/zinc/55/77/20/553557720.db2.gz DGEVFSNNTVHVII-KRWDZBQOSA-N 0 3 371.441 2.443 20 5 FEBDHN C[C@@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000299734489 553609789 /nfs/dbraw/zinc/60/97/89/553609789.db2.gz ZPWNGSMDCGZWIZ-SECBINFHSA-N 0 3 362.308 2.024 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000301102141 553622448 /nfs/dbraw/zinc/62/24/48/553622448.db2.gz QIQQGRCJGVMADX-INIZCTEOSA-N 0 3 355.398 2.338 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149522 553625890 /nfs/dbraw/zinc/62/58/90/553625890.db2.gz LZIUNLXQRBEVLE-OAHLLOKOSA-N 0 3 369.425 2.234 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277137 553638432 /nfs/dbraw/zinc/63/84/32/553638432.db2.gz ZEILLNJCAAPZDG-FRRDWIJNSA-N 0 3 370.475 2.021 20 5 FEBDHN CN1CCC(Nc2nc(NC3CCN(C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301711596 553673542 /nfs/dbraw/zinc/67/35/42/553673542.db2.gz DYUWQTYWECQYAR-UHFFFAOYSA-N 0 3 354.480 2.064 20 5 FEBDHN O=[N+]([O-])c1c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc2sccn21 ZINC000301840041 553684655 /nfs/dbraw/zinc/68/46/55/553684655.db2.gz ADNKTMMFELIWFK-UONOGXRCSA-N 0 3 373.438 2.351 20 5 FEBDHN O=[N+]([O-])c1c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nc2sccn21 ZINC000301840039 553684863 /nfs/dbraw/zinc/68/48/63/553684863.db2.gz ADNKTMMFELIWFK-KBPBESRZSA-N 0 3 373.438 2.351 20 5 FEBDHN CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000302021751 553698259 /nfs/dbraw/zinc/69/82/59/553698259.db2.gz OHGKLTZROZQUJE-HNNXBMFYSA-N 0 3 356.430 2.458 20 5 FEBDHN Cc1nc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302482548 553718497 /nfs/dbraw/zinc/71/84/97/553718497.db2.gz WWPVPPQDFUGHBO-IBGZPJMESA-N 0 3 356.426 2.371 20 5 FEBDHN COC(=O)c1cnc(N2CCN(C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000302753302 553730974 /nfs/dbraw/zinc/73/09/74/553730974.db2.gz HVMQHVAGYVQYBU-UHFFFAOYSA-N 0 3 362.430 2.477 20 5 FEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000507291916 561723858 /nfs/dbraw/zinc/72/38/58/561723858.db2.gz OZAHACPAXXHAJU-MRXNPFEDSA-N 0 3 355.460 2.139 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000331323772 554247076 /nfs/dbraw/zinc/24/70/76/554247076.db2.gz MPMLOSKBMIMAFF-ZYHUDNBSSA-N 0 3 370.247 2.499 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000332080177 554375685 /nfs/dbraw/zinc/37/56/85/554375685.db2.gz JIOGUEBGUBQVKU-LSDHHAIUSA-N 0 3 353.419 2.386 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 ZINC000332316748 554423706 /nfs/dbraw/zinc/42/37/06/554423706.db2.gz YRBWYCZAVOSLRG-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN C[C@H]1C[C@@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CCN1C ZINC000351212321 554843939 /nfs/dbraw/zinc/84/39/39/554843939.db2.gz IYAGKJNXDBZOSX-JSGCOSHPSA-N 0 3 373.413 2.034 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnn(CCN2CCCCC2)c1 ZINC000359896947 554856092 /nfs/dbraw/zinc/85/60/92/554856092.db2.gz KADATSQHXWRQRC-UHFFFAOYSA-N 0 3 357.414 2.458 20 5 FEBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](N2CCCC2)C1 ZINC000363069046 555023147 /nfs/dbraw/zinc/02/31/47/555023147.db2.gz XVUHPOSHXHZIQI-KRWDZBQOSA-N 0 3 369.425 2.481 20 5 FEBDHN CCOc1ccccc1C1=CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363273689 555069161 /nfs/dbraw/zinc/06/91/61/555069161.db2.gz STCDHYCMJJJWSH-KRWDZBQOSA-N 0 3 372.425 2.340 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556830 555337650 /nfs/dbraw/zinc/33/76/50/555337650.db2.gz KQFYUJUJCZEKQU-XNRPHZJLSA-N 0 3 365.405 2.353 20 5 FEBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364573336 555342779 /nfs/dbraw/zinc/34/27/79/555342779.db2.gz XUXUUOIIEOYGQO-BBRMVZONSA-N 0 3 372.429 2.088 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187255 555505581 /nfs/dbraw/zinc/50/55/81/555505581.db2.gz RGOINJBKBULRAH-RYUDHWBXSA-N 0 3 354.794 2.233 20 5 FEBDHN CSc1ccc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000366677477 555906369 /nfs/dbraw/zinc/90/63/69/555906369.db2.gz KQMKAIGVMLXYHU-UHFFFAOYSA-N 0 3 367.471 2.236 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000367270837 556004651 /nfs/dbraw/zinc/00/46/51/556004651.db2.gz MKLGQYJKINTUMG-CQSZACIVSA-N 0 3 363.414 2.355 20 5 FEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446418 556051403 /nfs/dbraw/zinc/05/14/03/556051403.db2.gz DVXWYRRUEWYDSM-HZPDHXFCSA-N 0 3 364.402 2.236 20 5 FEBDHN CC(C)NCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000514877626 561984611 /nfs/dbraw/zinc/98/46/11/561984611.db2.gz XVXXSRALVKMTEU-AWEZNQCLSA-N 0 3 351.403 2.092 20 5 FEBDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])cc4C)C[C@H]3C2)no1 ZINC000368212342 556250380 /nfs/dbraw/zinc/25/03/80/556250380.db2.gz MUDPLABBTFRVLA-HOTGVXAUSA-N 0 3 371.441 2.412 20 5 FEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000515257067 562002509 /nfs/dbraw/zinc/00/25/09/562002509.db2.gz QQRKTZCBOSWNFK-AWEZNQCLSA-N 0 3 357.476 2.177 20 5 FEBDHN C[C@@H](CO)N1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000368966047 556461743 /nfs/dbraw/zinc/46/17/43/556461743.db2.gz NFRZPEJKQDUBNI-AWEZNQCLSA-N 0 3 360.414 2.138 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369069120 556496551 /nfs/dbraw/zinc/49/65/51/556496551.db2.gz YNUGSHBSLORNTA-HNNXBMFYSA-N 0 3 374.441 2.222 20 5 FEBDHN CN1CCC[C@H](N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358663 556578868 /nfs/dbraw/zinc/57/88/68/556578868.db2.gz MTQAHQPKPQNYDJ-SFHVURJKSA-N 0 3 362.474 2.076 20 5 FEBDHN Cc1cccc(C)c1OC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369671691 556664867 /nfs/dbraw/zinc/66/48/67/556664867.db2.gz VKWCZIJZNIEADG-KRWDZBQOSA-N 0 3 374.441 2.485 20 5 FEBDHN Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369785370 556694533 /nfs/dbraw/zinc/69/45/33/556694533.db2.gz XGPTUPJYCGOLIT-OAHLLOKOSA-N 0 3 372.429 2.296 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928980 556733253 /nfs/dbraw/zinc/73/32/53/556733253.db2.gz GBAQPGZPIWEXGJ-GOEBONIOSA-N 0 3 369.425 2.444 20 5 FEBDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369996611 556752380 /nfs/dbraw/zinc/75/23/80/556752380.db2.gz FCGZYFYDNOSXOP-GOSISDBHSA-N 0 3 363.462 2.294 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000370039109 556764230 /nfs/dbraw/zinc/76/42/30/556764230.db2.gz VUOFWBLEYHTMFI-GOSISDBHSA-N 0 3 362.474 2.205 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689124 556940753 /nfs/dbraw/zinc/94/07/53/556940753.db2.gz KBGVKHFOBRDKAV-ROUUACIJSA-N 0 3 374.441 2.132 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069344 562103641 /nfs/dbraw/zinc/10/36/41/562103641.db2.gz OJXMVSXURLWASG-BETUJISGSA-N 0 3 363.414 2.359 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000372521886 557491534 /nfs/dbraw/zinc/49/15/34/557491534.db2.gz KRYIPIPQPIAIOZ-NJAFHUGGSA-N 0 3 361.442 2.143 20 5 FEBDHN O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372617773 557522002 /nfs/dbraw/zinc/52/20/02/557522002.db2.gz QXGSHRABTYFLTC-CYBMUJFWSA-N 0 3 352.822 2.357 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3cc([N+](=O)[O-])ccc3Cl)[nH]2)CC1 ZINC000373293688 557666709 /nfs/dbraw/zinc/66/67/09/557666709.db2.gz VBHKQMJTSBGXDY-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471138 557699845 /nfs/dbraw/zinc/69/98/45/557699845.db2.gz KJVICLYMSZBBDF-LSDHHAIUSA-N 0 3 364.450 2.012 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520377923 562154946 /nfs/dbraw/zinc/15/49/46/562154946.db2.gz WEBJCXKUAQPVGR-HNNXBMFYSA-N 0 3 350.419 2.147 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373809619 557764268 /nfs/dbraw/zinc/76/42/68/557764268.db2.gz JVCKAHRIFDJRGP-RDTXWAMCSA-N 0 3 363.414 2.193 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760724 562163071 /nfs/dbraw/zinc/16/30/71/562163071.db2.gz GMBOSFXVONHWAF-BETUJISGSA-N 0 3 363.414 2.359 20 5 FEBDHN O=C1[C@@H](N2CC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366433 557872839 /nfs/dbraw/zinc/87/28/39/557872839.db2.gz NUBWWCLGPASVNM-QAPCUYQASA-N 0 3 359.426 2.449 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783049 557930880 /nfs/dbraw/zinc/93/08/80/557930880.db2.gz VPKFJOULUQOLHV-INIZCTEOSA-N 0 3 350.438 2.334 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1SC ZINC000375066555 557972992 /nfs/dbraw/zinc/97/29/92/557972992.db2.gz RWPQNRNQCBVEQR-FZMZJTMJSA-N 0 3 365.455 2.492 20 5 FEBDHN NC(=O)[C@@]1(O)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000375520161 558042263 /nfs/dbraw/zinc/04/22/63/558042263.db2.gz SGFSSHGURKVMCG-QGZVFWFLSA-N 0 3 361.423 2.136 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1C ZINC000408059543 558642252 /nfs/dbraw/zinc/64/22/52/558642252.db2.gz QKJXXEQCYMNTKH-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000408371947 558671634 /nfs/dbraw/zinc/67/16/34/558671634.db2.gz GODUSSWQSKTECD-ZBFHGGJFSA-N 0 3 367.471 2.262 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411228694 558856810 /nfs/dbraw/zinc/85/68/10/558856810.db2.gz RMNSCVIENLSVID-OKILXGFUSA-N 0 3 362.430 2.221 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428587 558893451 /nfs/dbraw/zinc/89/34/51/558893451.db2.gz QAGJFUNJJAGMLD-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN NC(=O)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000411991975 559000142 /nfs/dbraw/zinc/00/01/42/559000142.db2.gz ZMYAKYJMIBYEBS-ZWKOTPCHSA-N 0 3 355.394 2.175 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(CCN(C)C)CC(C)C)c1F ZINC000412206031 559019751 /nfs/dbraw/zinc/01/97/51/559019751.db2.gz MKPDUQCBDYBCBG-UHFFFAOYSA-N 0 3 355.410 2.331 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNCc1cccnc1 ZINC000414658311 559177886 /nfs/dbraw/zinc/17/78/86/559177886.db2.gz QJGQGILFHIQYKO-UHFFFAOYSA-N 0 3 359.386 2.300 20 5 FEBDHN O=C(NC[C@@H]1CNCCO1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415200798 559214413 /nfs/dbraw/zinc/21/44/13/559214413.db2.gz XXLGRGQZANRNEU-KRWDZBQOSA-N 0 3 372.381 2.497 20 5 FEBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415431018 559235742 /nfs/dbraw/zinc/23/57/42/559235742.db2.gz RVMXHXRBUSSQHF-ZDUSSCGKSA-N 0 3 364.446 2.320 20 5 FEBDHN CNCc1cccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000415928412 559283103 /nfs/dbraw/zinc/28/31/03/559283103.db2.gz HLSZCFUDRJHTCG-UHFFFAOYSA-N 0 3 370.413 2.063 20 5 FEBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325275 559357697 /nfs/dbraw/zinc/35/76/97/559357697.db2.gz BOZOPNGKBYDCFK-CZUORRHYSA-N 0 3 355.460 2.280 20 5 FEBDHN O=C(N[C@@H]1CNCCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418749398 559413720 /nfs/dbraw/zinc/41/37/20/559413720.db2.gz CDNZKUZSTWMZIH-CQSZACIVSA-N 0 3 354.357 2.266 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419281375 559435205 /nfs/dbraw/zinc/43/52/05/559435205.db2.gz BDPLUGSXPQPCSC-ZBFHGGJFSA-N 0 3 366.368 2.138 20 5 FEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC[NH2+]C1CC1 ZINC000420446621 559487728 /nfs/dbraw/zinc/48/77/28/559487728.db2.gz HSDTXYWYLNDMHI-UHFFFAOYSA-N 0 3 367.349 2.034 20 5 FEBDHN CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000420446936 559487849 /nfs/dbraw/zinc/48/78/49/559487849.db2.gz IFZHWCZLGLQOHT-UHFFFAOYSA-N 0 3 367.349 2.034 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000421795427 559553822 /nfs/dbraw/zinc/55/38/22/559553822.db2.gz IGALLTBMDHJSMG-MRXNPFEDSA-N 0 3 374.485 2.452 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483969 559630024 /nfs/dbraw/zinc/63/00/24/559630024.db2.gz QMIYWPISPGLSHC-KBPBESRZSA-N 0 3 351.357 2.005 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423953264 559647846 /nfs/dbraw/zinc/64/78/46/559647846.db2.gz AYJJTCIPUFJODU-HNNXBMFYSA-N 0 3 371.393 2.358 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)c1 ZINC000424034943 559652035 /nfs/dbraw/zinc/65/20/35/559652035.db2.gz DJRDJTDKJNZJEY-GOEBONIOSA-N 0 3 359.357 2.309 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)(C(F)F)CC1 ZINC000426273015 559732126 /nfs/dbraw/zinc/73/21/26/559732126.db2.gz CEXIMSXKWSSYRO-UHFFFAOYSA-N 0 3 373.356 2.024 20 5 FEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000427153972 559749270 /nfs/dbraw/zinc/74/92/70/559749270.db2.gz UPVUIPKXODOJME-KRWDZBQOSA-N 0 3 365.405 2.451 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428534441 559777435 /nfs/dbraw/zinc/77/74/35/559777435.db2.gz KAOCVKVRLJJOHB-QGZVFWFLSA-N 0 3 373.384 2.482 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428548127 559777933 /nfs/dbraw/zinc/77/79/33/559777933.db2.gz NQEYFWUEIDMILP-GOSISDBHSA-N 0 3 355.394 2.343 20 5 FEBDHN COc1cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000428550503 559778007 /nfs/dbraw/zinc/77/80/07/559778007.db2.gz VJMBLVHCHKSTQU-INIZCTEOSA-N 0 3 371.393 2.422 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000428551930 559778086 /nfs/dbraw/zinc/77/80/86/559778086.db2.gz LMATYJXBXUBAQW-OAHLLOKOSA-N 0 3 371.393 2.422 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000429214268 559793052 /nfs/dbraw/zinc/79/30/52/559793052.db2.gz GUXHTZDYOWZGHG-AWEZNQCLSA-N 0 3 364.446 2.128 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCC[C@@H]1CCO ZINC000429760168 559805106 /nfs/dbraw/zinc/80/51/06/559805106.db2.gz MNDIUXOLDYZSPW-SCRDCRAPSA-N 0 3 351.403 2.071 20 5 FEBDHN O=C(CN1CCNCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430926849 559830501 /nfs/dbraw/zinc/83/05/01/559830501.db2.gz PACNIJYTPBKICI-UHFFFAOYSA-N 0 3 352.394 2.094 20 5 FEBDHN CCn1cccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O ZINC000433103473 559871798 /nfs/dbraw/zinc/87/17/98/559871798.db2.gz LFTIDSKFAOTBPZ-CYBMUJFWSA-N 0 3 358.398 2.283 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433754511 559887263 /nfs/dbraw/zinc/88/72/63/559887263.db2.gz WJSYDTBLMOVYIU-UHFFFAOYSA-N 0 3 367.450 2.061 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3CCN[C@@H](C)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711015 559907241 /nfs/dbraw/zinc/90/72/41/559907241.db2.gz LBRJODUFTYQVDQ-GXTWGEPZSA-N 0 3 371.441 2.279 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCSC1 ZINC000445894704 560136382 /nfs/dbraw/zinc/13/63/82/560136382.db2.gz RDOQOBNOZVTLGN-QGZVFWFLSA-N 0 3 364.471 2.100 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000446901096 560153336 /nfs/dbraw/zinc/15/33/36/560153336.db2.gz ACIICBGICIAUDF-QYAOZPGESA-N 0 3 356.426 2.440 20 5 FEBDHN CC(C)[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000447803946 560169465 /nfs/dbraw/zinc/16/94/65/560169465.db2.gz CKLGRBNWJLPJKQ-IBGZPJMESA-N 0 3 362.474 2.203 20 5 FEBDHN Cc1cc(N2CCC[C@@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449169107 560218843 /nfs/dbraw/zinc/21/88/43/560218843.db2.gz CHMHUDAHCPXAKX-XJKSGUPXSA-N 0 3 371.441 2.353 20 5 FEBDHN CCN1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450452878 560262595 /nfs/dbraw/zinc/26/25/95/560262595.db2.gz KVOSKSCAVZVCRB-WMLDXEAASA-N 0 3 373.461 2.336 20 5 FEBDHN C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])N(C)C ZINC000450812594 560274324 /nfs/dbraw/zinc/27/43/24/560274324.db2.gz SKIQAWBJIKKULT-ZDUSSCGKSA-N 0 3 370.475 2.131 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C ZINC000451593919 560316489 /nfs/dbraw/zinc/31/64/89/560316489.db2.gz IUZPIZLYCQFICM-RDTXWAMCSA-N 0 3 367.446 2.421 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452055072 560348569 /nfs/dbraw/zinc/34/85/69/560348569.db2.gz BIWAWMYKFKBEPU-MRXNPFEDSA-N 0 3 363.439 2.312 20 5 FEBDHN C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN(C2CC2)C1 ZINC000452172349 560354580 /nfs/dbraw/zinc/35/45/80/560354580.db2.gz WGDLMWIXPRXFOQ-AWEZNQCLSA-N 0 3 369.425 2.337 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1CCO ZINC000452369906 560360742 /nfs/dbraw/zinc/36/07/42/560360742.db2.gz FFBXEZAODAWLEF-SJLPKXTDSA-N 0 3 363.458 2.127 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000453603064 560390733 /nfs/dbraw/zinc/39/07/33/560390733.db2.gz PYFOQZXHNSDANV-UHFFFAOYSA-N 0 3 359.382 2.182 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@@H]21 ZINC000456157082 560509055 /nfs/dbraw/zinc/50/90/55/560509055.db2.gz CNCXLVCGVIUWSL-ZBFHGGJFSA-N 0 3 352.394 2.433 20 5 FEBDHN Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1OCCN(C)C ZINC000458198112 560608294 /nfs/dbraw/zinc/60/82/94/560608294.db2.gz OWFLRIUXIFOSRT-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000458511513 560628863 /nfs/dbraw/zinc/62/88/63/560628863.db2.gz PQGZBHNMSGBRAR-HOCLYGCPSA-N 0 3 364.446 2.110 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984010 560877602 /nfs/dbraw/zinc/87/76/02/560877602.db2.gz RVISQRFZJPNVPE-LSDHHAIUSA-N 0 3 363.462 2.487 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000468463283 560930575 /nfs/dbraw/zinc/93/05/75/560930575.db2.gz ZPBGADGQBSZKMK-MRXNPFEDSA-N 0 3 365.430 2.462 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140724 560975154 /nfs/dbraw/zinc/97/51/54/560975154.db2.gz LJFXCACEGUTAEU-GFCCVEGCSA-N 0 3 366.393 2.451 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000470690092 560987591 /nfs/dbraw/zinc/98/75/91/560987591.db2.gz PLVOEOLYZXBBPU-HNNXBMFYSA-N 0 3 363.414 2.374 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000474011369 561063421 /nfs/dbraw/zinc/06/34/21/561063421.db2.gz QFTLEDRBYSHEMT-VIFPVBQESA-N 0 3 350.293 2.435 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000474358003 561071994 /nfs/dbraw/zinc/07/19/94/561071994.db2.gz VZJNNGDEHLIQLW-AEFFLSMTSA-N 0 3 366.414 2.177 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000474378321 561072742 /nfs/dbraw/zinc/07/27/42/561072742.db2.gz PALJLNHXSCIKLZ-CYBMUJFWSA-N 0 3 359.382 2.262 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476364312 561117697 /nfs/dbraw/zinc/11/76/97/561117697.db2.gz JYTQQKOKECFEFS-UHFFFAOYSA-N 0 3 365.821 2.186 20 5 FEBDHN CCOc1ccc(NC(=O)CN(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000532581365 562482013 /nfs/dbraw/zinc/48/20/13/562482013.db2.gz WJMLSJAGKYKSCT-AWEZNQCLSA-N 0 3 362.430 2.101 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCSC1 ZINC000533806680 562518749 /nfs/dbraw/zinc/51/87/49/562518749.db2.gz HZFJXKRMNHOSII-QGZVFWFLSA-N 0 3 364.471 2.100 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313765 562555625 /nfs/dbraw/zinc/55/56/25/562555625.db2.gz MUKZPEPISYNXER-CQSZACIVSA-N 0 3 357.414 2.455 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535701515 562564568 /nfs/dbraw/zinc/56/45/68/562564568.db2.gz PMXAQSSPFWLOPS-ZDUSSCGKSA-N 0 3 360.414 2.259 20 5 FEBDHN COc1ccc(CC(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901245 562596179 /nfs/dbraw/zinc/59/61/79/562596179.db2.gz XJZYKCOOWPONSJ-SJORKVTESA-N 0 3 369.421 2.360 20 5 FEBDHN CN(C)CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000568644941 568106800 /nfs/dbraw/zinc/10/68/00/568106800.db2.gz WJEGSNVLNCRKER-UHFFFAOYSA-N 0 3 371.441 2.016 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738357988 599534690 /nfs/dbraw/zinc/53/46/90/599534690.db2.gz JLKIZMZGGHIFSJ-CQSZACIVSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738357988 599534692 /nfs/dbraw/zinc/53/46/92/599534692.db2.gz JLKIZMZGGHIFSJ-CQSZACIVSA-N 0 3 357.418 2.230 20 5 FEBDHN C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569367 608487120 /nfs/dbraw/zinc/48/71/20/608487120.db2.gz HJCFDIXCFQSYFW-BZNIZROVSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569367 608487121 /nfs/dbraw/zinc/48/71/21/608487121.db2.gz HJCFDIXCFQSYFW-BZNIZROVSA-N 0 3 354.370 2.159 20 5 FEBDHN O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826499107 608528357 /nfs/dbraw/zinc/52/83/57/608528357.db2.gz WBQWBPNPHWXILE-UHFFFAOYSA-N 0 3 366.381 2.433 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000561552441 674678806 /nfs/dbraw/zinc/67/88/06/674678806.db2.gz QPYLMNSDTMWGDE-BBRMVZONSA-N 0 3 367.471 2.405 20 5 FEBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813114874 674721513 /nfs/dbraw/zinc/72/15/13/674721513.db2.gz IHILUZSYZVMXJO-PJCOJXEDSA-N 0 3 358.753 2.207 20 5 FEBDHN CC(COC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813109885 674720617 /nfs/dbraw/zinc/72/06/17/674720617.db2.gz PYYSVGBVCCJJFE-LLVKDONJSA-N 0 3 362.448 2.328 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000068084504 670465752 /nfs/dbraw/zinc/46/57/52/670465752.db2.gz JUVGYWYLSCHONK-NEPJUHHUSA-N 0 3 350.375 2.353 20 5 FEBDHN COC[C@@](C)(O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000609565351 675926789 /nfs/dbraw/zinc/92/67/89/675926789.db2.gz FUXBUHCKVCPUQH-KRWDZBQOSA-N 0 3 350.371 2.350 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610135194 675956249 /nfs/dbraw/zinc/95/62/49/675956249.db2.gz MEDREMDZTAJSRN-VXGBXAGGSA-N 0 3 359.423 2.227 20 5 FEBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205226 676024989 /nfs/dbraw/zinc/02/49/89/676024989.db2.gz OPSSESXCCBBKRK-QWHCGFSZSA-N 0 3 351.403 2.289 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1SC ZINC000590776516 672616801 /nfs/dbraw/zinc/61/68/01/672616801.db2.gz IFRGBYNRLUIPEC-GXFFZTMASA-N 0 3 351.428 2.101 20 5 FEBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000591757508 672708548 /nfs/dbraw/zinc/70/85/48/672708548.db2.gz YBOBNIOTOBWKJZ-UHFFFAOYSA-N 0 3 363.439 2.331 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193907392 672740776 /nfs/dbraw/zinc/74/07/76/672740776.db2.gz WEQSMWPPRPDTDM-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)C2(OC)CCOCC2)c1 ZINC000593035484 672866288 /nfs/dbraw/zinc/86/62/88/672866288.db2.gz MZHIHQBQGZNJOS-LBPRGKRZSA-N 0 3 352.387 2.055 20 5 FEBDHN C[C@@H](CCO)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593107725 672877750 /nfs/dbraw/zinc/87/77/50/672877750.db2.gz HKONMSIRSIDIHB-VIFPVBQESA-N 0 3 364.183 2.402 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](OC2CCC2)C1 ZINC000594027231 673022126 /nfs/dbraw/zinc/02/21/26/673022126.db2.gz SSUYFQGKWYNEJL-HOCLYGCPSA-N 0 3 350.415 2.368 20 5 FEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759164 673132317 /nfs/dbraw/zinc/13/23/17/673132317.db2.gz IPMCAVKRSVHFIG-GFCCVEGCSA-N 0 3 366.443 2.152 20 5 FEBDHN COc1cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594992950 673183755 /nfs/dbraw/zinc/18/37/55/673183755.db2.gz MBSJBVYGFHXZNO-LLVKDONJSA-N 0 3 351.403 2.046 20 5 FEBDHN CN1CCN(CCCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000729630230 673241734 /nfs/dbraw/zinc/24/17/34/673241734.db2.gz VQCMLHCMSNHDFC-UHFFFAOYSA-N 0 3 369.853 2.397 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596157866 673363891 /nfs/dbraw/zinc/36/38/91/673363891.db2.gz IKKNCKTXIQAVSF-CYBMUJFWSA-N 0 3 353.854 2.248 20 5 FEBDHN CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596305906 673375859 /nfs/dbraw/zinc/37/58/59/673375859.db2.gz CQCVNCTVYFPZND-LBPRGKRZSA-N 0 3 370.475 2.130 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095351 673447038 /nfs/dbraw/zinc/44/70/38/673447038.db2.gz UDBGUUGQBAMXHX-UHFFFAOYSA-N 0 3 371.825 2.063 20 5 FEBDHN O=C1NC2(CCCCC2)C(=O)N1CCCNCc1csc([N+](=O)[O-])c1 ZINC000539462684 673491882 /nfs/dbraw/zinc/49/18/82/673491882.db2.gz KMELGCCQVARMBV-UHFFFAOYSA-N 0 3 366.443 2.391 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000539480942 673492362 /nfs/dbraw/zinc/49/23/62/673492362.db2.gz CNEKCZTYTCQUBT-UONOGXRCSA-N 0 3 372.878 2.164 20 5 FEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597858166 673513411 /nfs/dbraw/zinc/51/34/11/673513411.db2.gz LFTNNDUMWJZGRK-CYBMUJFWSA-N 0 3 367.471 2.282 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540476419 673541441 /nfs/dbraw/zinc/54/14/41/673541441.db2.gz NMGHOXRSDQXYMF-JKQORVJESA-N 0 3 351.447 2.024 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598573818 673585267 /nfs/dbraw/zinc/58/52/67/673585267.db2.gz PFOQTHSXJXDJND-AWEZNQCLSA-N 0 3 367.471 2.293 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)cc1OC ZINC000598577107 673585650 /nfs/dbraw/zinc/58/56/50/673585650.db2.gz VQCUIZLUFARFMK-ZDUSSCGKSA-N 0 3 351.403 2.072 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625077 673698788 /nfs/dbraw/zinc/69/87/88/673698788.db2.gz LHIXCMIYKPYVGK-QLQJRFMMSA-N 0 3 351.403 2.334 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000546776434 673817640 /nfs/dbraw/zinc/81/76/40/673817640.db2.gz FNKUMNSTYORHAG-HIFRSBDPSA-N 0 3 355.460 2.229 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccsc1 ZINC000547730369 673884417 /nfs/dbraw/zinc/88/44/17/673884417.db2.gz RYVPRBIDIQGVRE-ZDUSSCGKSA-N 0 3 363.443 2.446 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccc(Br)cc1 ZINC000602804401 673911328 /nfs/dbraw/zinc/91/13/28/673911328.db2.gz FIKIKLGZKCFIQW-CYBMUJFWSA-N 0 3 369.219 2.185 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCCS(=O)(=O)c2ccccc2)c1 ZINC000818981892 675249364 /nfs/dbraw/zinc/24/93/64/675249364.db2.gz XXEVKQAMIMZBDY-QGZVFWFLSA-N 0 3 364.423 2.082 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCN1 ZINC000825148293 675638890 /nfs/dbraw/zinc/63/88/90/675638890.db2.gz SIJNZGVNYOZHIS-CQSZACIVSA-N 0 3 366.849 2.035 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000827474202 675758935 /nfs/dbraw/zinc/75/89/35/675758935.db2.gz TVMNUNFWDUMZSH-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619789202 676394880 /nfs/dbraw/zinc/39/48/80/676394880.db2.gz ZUJKRRZFTUTISA-UHFFFAOYSA-N 0 3 351.794 2.175 20 5 FEBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839529403 680759645 /nfs/dbraw/zinc/75/96/45/680759645.db2.gz GPFHOJVZZXXBBQ-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN COC(=O)C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754516370 680361135 /nfs/dbraw/zinc/36/11/35/680361135.db2.gz MASUHHTUWJOLGP-ZDUSSCGKSA-N 0 3 355.778 2.118 20 5 FEBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000754542213 680362068 /nfs/dbraw/zinc/36/20/68/680362068.db2.gz UBPVBFPWXGISNA-GFCCVEGCSA-N 0 3 355.778 2.118 20 5 FEBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368217 680458823 /nfs/dbraw/zinc/45/88/23/680458823.db2.gz MNZNUTCKJNGBGN-GFCCVEGCSA-N 0 3 356.810 2.217 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H](O)c2ccccc2)cc1 ZINC000843088611 680986853 /nfs/dbraw/zinc/98/68/53/680986853.db2.gz PGCRXOHYQIZCPP-KRWDZBQOSA-N 0 3 364.423 2.082 20 5 FEBDHN O=C(CN[C@H](CO)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000771809115 681071124 /nfs/dbraw/zinc/07/11/24/681071124.db2.gz QRDIPYSUYASROI-CYBMUJFWSA-N 0 3 362.411 2.017 20 5 FEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000846973578 681314927 /nfs/dbraw/zinc/31/49/27/681314927.db2.gz QBCJBMWPAHOKLW-ZDUSSCGKSA-N 0 3 350.375 2.368 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776497007 681396412 /nfs/dbraw/zinc/39/64/12/681396412.db2.gz BXLBRDXDOBFDEX-WFASDCNBSA-N 0 3 374.846 2.074 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Cc2nccs2)C1 ZINC000934334836 681554009 /nfs/dbraw/zinc/55/40/09/681554009.db2.gz XLAAOOFNVGWABG-ZIAGYGMSSA-N 0 3 363.439 2.356 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000854643863 682574354 /nfs/dbraw/zinc/57/43/54/682574354.db2.gz ZJDMWAVLHSNAOO-HOCLYGCPSA-N 0 3 367.833 2.492 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000929832717 683644615 /nfs/dbraw/zinc/64/46/15/683644615.db2.gz DZBSSPGTYLUKGR-SKDRFNHKSA-N 0 3 356.329 2.364 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccsc1 ZINC000930218403 683695084 /nfs/dbraw/zinc/69/50/84/683695084.db2.gz MQINNUOGEDOJGX-CQSZACIVSA-N 0 3 365.459 2.361 20 5 FEBDHN COc1cc(CNC[C@]2(OC(C)C)CCOC2)c([N+](=O)[O-])cc1OC ZINC000922611970 683753766 /nfs/dbraw/zinc/75/37/66/683753766.db2.gz RJUDWRHMKNEMOD-QGZVFWFLSA-N 0 3 354.403 2.286 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000931296454 684257339 /nfs/dbraw/zinc/25/73/39/684257339.db2.gz HKBYZIUUCOXRGV-STQMWFEESA-N 0 3 368.821 2.311 20 5 FEBDHN COC[C@@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCCN1 ZINC000876568424 686221568 /nfs/dbraw/zinc/22/15/68/686221568.db2.gz MLKRGDXTOKMCKP-MRXNPFEDSA-N 0 3 355.822 2.365 20 5 FEBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135183 687004162 /nfs/dbraw/zinc/00/41/62/687004162.db2.gz RITXYLZJGCISHP-CABCVRRESA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882768989 687480834 /nfs/dbraw/zinc/48/08/34/687480834.db2.gz CQGLBAGNTWVTHW-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCNCCC23CCC3)cc1[N+](=O)[O-] ZINC000883478962 687643539 /nfs/dbraw/zinc/64/35/39/687643539.db2.gz HKYRGYWTJYLSSM-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN Cc1csc(C[C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000886691612 688289807 /nfs/dbraw/zinc/28/98/07/688289807.db2.gz IOTPOAXJWYAWMT-CQSZACIVSA-N 0 3 362.455 2.476 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CCC4(C[C@H]3F)OCCO4)CC2)n1 ZINC000894080208 689462193 /nfs/dbraw/zinc/46/21/93/689462193.db2.gz VSVXIYLJWJTQFR-KGLIPLIRSA-N 0 3 354.382 2.062 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CCC3(CCC3)O2)cc1 ZINC000905622637 691153082 /nfs/dbraw/zinc/15/30/82/691153082.db2.gz DIHDCWQYAVCANB-OAHLLOKOSA-N 0 3 368.455 2.450 20 5 FEBDHN C[C@H](N[C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851766 691182725 /nfs/dbraw/zinc/18/27/25/691182725.db2.gz CXAFETVJXCGZMJ-APHBMKBZSA-N 0 3 364.471 2.091 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000028962931 539840136 /nfs/dbraw/zinc/84/01/36/539840136.db2.gz KKFHWGFGCRMBFE-UHFFFAOYSA-N 0 3 353.444 2.234 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(NC(=O)C2CC2)CC1 ZINC000030285118 539877723 /nfs/dbraw/zinc/87/77/23/539877723.db2.gz BBFAPGUFHIRZFN-UHFFFAOYSA-N 0 3 374.441 2.222 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000046957201 540280255 /nfs/dbraw/zinc/28/02/55/540280255.db2.gz ODNNLJJEIYKCTC-UHFFFAOYSA-N 0 3 365.430 2.464 20 5 FEBDHN CCOCCCNC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052673184 540481006 /nfs/dbraw/zinc/48/10/06/540481006.db2.gz RZIDBTWKSIELFX-UHFFFAOYSA-N 0 3 363.458 2.392 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000108359383 209285709 /nfs/dbraw/zinc/28/57/09/209285709.db2.gz YMNXPNIXJJIXCY-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333515 541303295 /nfs/dbraw/zinc/30/32/95/541303295.db2.gz FLGYKSSMOQBTJY-RYUDHWBXSA-N 0 3 361.489 2.303 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145815 541424134 /nfs/dbraw/zinc/42/41/34/541424134.db2.gz IACPMTXSLCPGIM-ZIAGYGMSSA-N 0 3 372.429 2.026 20 5 FEBDHN CC(C)(C)N1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067149199 541425646 /nfs/dbraw/zinc/42/56/46/541425646.db2.gz IJOLWSJKNJWDAQ-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075766948 542202659 /nfs/dbraw/zinc/20/26/59/542202659.db2.gz XDUMSNRJFBRXRR-AAEUAGOBSA-N 0 3 353.448 2.173 20 5 FEBDHN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000077010000 542341930 /nfs/dbraw/zinc/34/19/30/542341930.db2.gz HVUAHQKZMNELKW-UHFFFAOYSA-N 0 3 350.375 2.369 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)C2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000077910339 542430994 /nfs/dbraw/zinc/43/09/94/542430994.db2.gz ZJIWJIYBACWROW-UHFFFAOYSA-N 0 3 350.419 2.476 20 5 FEBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000081122184 542634657 /nfs/dbraw/zinc/63/46/57/542634657.db2.gz ISQLCNDWKPYLBL-INIZCTEOSA-N 0 3 371.441 2.259 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(-n4cncn4)cc3)C2)nc1 ZINC000093534736 542934103 /nfs/dbraw/zinc/93/41/03/542934103.db2.gz NQSJQNLJCWYLNX-OAHLLOKOSA-N 0 3 365.397 2.257 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000247449511 549334620 /nfs/dbraw/zinc/33/46/20/549334620.db2.gz YZAIBVLZUWKHJF-KBXCAEBGSA-N 0 3 369.425 2.337 20 5 FEBDHN C[C@H](O)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000104683941 543137469 /nfs/dbraw/zinc/13/74/69/543137469.db2.gz OGNNXYCWBKUJSQ-AWEZNQCLSA-N 0 3 361.442 2.499 20 5 FEBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000104922784 543150634 /nfs/dbraw/zinc/15/06/34/543150634.db2.gz HUICUJUMQKIYBU-UHFFFAOYSA-N 0 3 369.421 2.482 20 5 FEBDHN CCOC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108721110 543300630 /nfs/dbraw/zinc/30/06/30/543300630.db2.gz NGZVPGFAYUAFET-UHFFFAOYSA-N 0 3 351.403 2.433 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112917596 543467694 /nfs/dbraw/zinc/46/76/94/543467694.db2.gz CLHYORIZROQQTO-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000112917603 543467865 /nfs/dbraw/zinc/46/78/65/543467865.db2.gz NWJMGYIJCDWPEZ-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000113197969 543476631 /nfs/dbraw/zinc/47/66/31/543476631.db2.gz GJYOKXCZGZASRK-HNNXBMFYSA-N 0 3 372.429 2.170 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](CC(C)C)N(C)C)cc([N+](=O)[O-])c1 ZINC000114140505 543505096 /nfs/dbraw/zinc/50/50/96/543505096.db2.gz NCOZGVSQRDFEPK-HNNXBMFYSA-N 0 3 351.403 2.088 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114140704 543505373 /nfs/dbraw/zinc/50/53/73/543505373.db2.gz HPGBCWKFTAFHTF-UHFFFAOYSA-N 0 3 368.865 2.396 20 5 FEBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122885273 543729885 /nfs/dbraw/zinc/72/98/85/543729885.db2.gz HQPLJYSTVRFSER-SFHVURJKSA-N 0 3 358.442 2.118 20 5 FEBDHN CCC1(CO)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000128339970 544046903 /nfs/dbraw/zinc/04/69/03/544046903.db2.gz AYDOALPNKCOCNH-UHFFFAOYSA-N 0 3 363.414 2.377 20 5 FEBDHN CCc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)N(C)C)cc1 ZINC000128554319 544059093 /nfs/dbraw/zinc/05/90/93/544059093.db2.gz RCLXTNNEGWXWSL-OAHLLOKOSA-N 0 3 359.430 2.232 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCn1ccnc1C ZINC000130779784 544164354 /nfs/dbraw/zinc/16/43/54/544164354.db2.gz VSNJIHFGGKWKHK-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896330 544169954 /nfs/dbraw/zinc/16/99/54/544169954.db2.gz DAOPBLHJERRXME-XHVZSJERSA-N 0 3 368.821 2.209 20 5 FEBDHN COc1cc(OC)cc([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000132512566 544233820 /nfs/dbraw/zinc/23/38/20/544233820.db2.gz RERRAQKNJMRTNI-CQSZACIVSA-N 0 3 373.409 2.263 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000140023758 544406904 /nfs/dbraw/zinc/40/69/04/544406904.db2.gz ZYZDLSNGQUZGAX-ZDUSSCGKSA-N 0 3 370.475 2.131 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148537478 544451815 /nfs/dbraw/zinc/45/18/15/544451815.db2.gz UYCWTMLXXUSWFS-FRRDWIJNSA-N 0 3 363.414 2.420 20 5 FEBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151050703 544499881 /nfs/dbraw/zinc/49/98/81/544499881.db2.gz HROLHXNMFHKXSN-CYBMUJFWSA-N 0 3 370.247 2.452 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000151801174 544582527 /nfs/dbraw/zinc/58/25/27/544582527.db2.gz IVRPVKYPVYBFHN-KBPBESRZSA-N 0 3 355.460 2.135 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CN1C1CC1 ZINC000152988145 544719701 /nfs/dbraw/zinc/71/97/01/544719701.db2.gz BNSYYIUXFWDRIL-CHWSQXEVSA-N 0 3 355.398 2.136 20 5 FEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000154250884 544881165 /nfs/dbraw/zinc/88/11/65/544881165.db2.gz AETBFCYIRSUSHR-OALUTQOASA-N 0 3 360.410 2.138 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000154694976 544937795 /nfs/dbraw/zinc/93/77/95/544937795.db2.gz WEDGPBWCULNXSF-CZUORRHYSA-N 0 3 355.460 2.087 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000804441524 674287472 /nfs/dbraw/zinc/28/74/72/674287472.db2.gz MWPVKUJJINRYCY-UHFFFAOYSA-N 0 3 353.394 2.447 20 5 FEBDHN C[NH+](C)CCn1ccc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000185704425 327928719 /nfs/dbraw/zinc/92/87/19/327928719.db2.gz JGVPGFKSSFRPAY-UHFFFAOYSA-N 0 3 369.381 2.464 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186766749 327981271 /nfs/dbraw/zinc/98/12/71/327981271.db2.gz KUGDGJGVENFPPU-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000188075646 328064285 /nfs/dbraw/zinc/06/42/85/328064285.db2.gz WDHNFGGXWCTKGL-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000188310658 328079648 /nfs/dbraw/zinc/07/96/48/328079648.db2.gz DVIQZQULITYWTH-UHFFFAOYSA-N 0 3 363.393 2.223 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000188310658 328079649 /nfs/dbraw/zinc/07/96/49/328079649.db2.gz DVIQZQULITYWTH-UHFFFAOYSA-N 0 3 363.393 2.223 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NCCCN2CCCCC2)c1[N+](=O)[O-] ZINC000189810658 328169392 /nfs/dbraw/zinc/16/93/92/328169392.db2.gz WLKXRQOYICZZMQ-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000193430016 328374745 /nfs/dbraw/zinc/37/47/45/328374745.db2.gz BWKAESIYZAMRQE-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193516885 328379806 /nfs/dbraw/zinc/37/98/06/328379806.db2.gz RSFDRVGPMHMUFL-LJQANCHMSA-N 0 3 356.426 2.250 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1CN(C)C ZINC000030325109 324458078 /nfs/dbraw/zinc/45/80/78/324458078.db2.gz SVIWZEQVPQJHKC-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CCC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000236643291 328490617 /nfs/dbraw/zinc/49/06/17/328490617.db2.gz KZFUSAGSLMKXHW-UHFFFAOYSA-N 0 3 355.460 2.432 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000085635822 325256673 /nfs/dbraw/zinc/25/66/73/325256673.db2.gz DESWTWSHPQJTGF-ZDUSSCGKSA-N 0 3 363.462 2.217 20 5 FEBDHN Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000089393292 325314969 /nfs/dbraw/zinc/31/49/69/325314969.db2.gz GONPHDQUXRUASN-UHFFFAOYSA-N 0 3 355.398 2.218 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091673380 325389370 /nfs/dbraw/zinc/38/93/70/325389370.db2.gz IDGHCBXMQDHTHW-GHMZBOCLSA-N 0 3 357.208 2.027 20 5 FEBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](N2CCCC2)C1 ZINC000107600088 325630975 /nfs/dbraw/zinc/63/09/75/325630975.db2.gz CFSSTJAKAKAXLC-KRWDZBQOSA-N 0 3 369.425 2.481 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000117259237 326053891 /nfs/dbraw/zinc/05/38/91/326053891.db2.gz NXLJEBDVLWZSOY-CYBMUJFWSA-N 0 3 360.414 2.142 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118125920 326083748 /nfs/dbraw/zinc/08/37/48/326083748.db2.gz LOEZKJDPZPEFEY-GFCCVEGCSA-N 0 3 368.821 2.177 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118126406 326084197 /nfs/dbraw/zinc/08/41/97/326084197.db2.gz QCHSPRWHRQRFEP-GFCCVEGCSA-N 0 3 368.821 2.177 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118787577 326102563 /nfs/dbraw/zinc/10/25/63/326102563.db2.gz NJPKCLCXBQDKKY-CQSZACIVSA-N 0 3 363.462 2.298 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120921049 326299013 /nfs/dbraw/zinc/29/90/13/326299013.db2.gz OEUNFMUHNOSKBY-HZMBPMFUSA-N 0 3 350.375 2.224 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](N2CCCC2)C1 ZINC000134583262 326628118 /nfs/dbraw/zinc/62/81/18/326628118.db2.gz LZRLFEXOVPNFSJ-AWEZNQCLSA-N 0 3 355.398 2.091 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151644828 326687618 /nfs/dbraw/zinc/68/76/18/326687618.db2.gz FVXBWWJCNAFLBC-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(C3CCOCC3)CC2)c1 ZINC000153589646 326737066 /nfs/dbraw/zinc/73/70/66/326737066.db2.gz RHIABSIYAZQSJA-GOSISDBHSA-N 0 3 364.442 2.473 20 5 FEBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000155402129 326786968 /nfs/dbraw/zinc/78/69/68/326786968.db2.gz RXLAOHLZPGRNMS-UHFFFAOYSA-N 0 3 373.413 2.295 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162101585 327017124 /nfs/dbraw/zinc/01/71/24/327017124.db2.gz ZMCAFAIRXGFURD-LLVKDONJSA-N 0 3 355.441 2.285 20 5 FEBDHN C[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000163436584 327051593 /nfs/dbraw/zinc/05/15/93/327051593.db2.gz FTCNWZZEQXTNPV-LJQANCHMSA-N 0 3 371.441 2.352 20 5 FEBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1CN1CCCC1 ZINC000170684662 327093818 /nfs/dbraw/zinc/09/38/18/327093818.db2.gz RJMSDALWWSHTTR-QGZVFWFLSA-N 0 3 369.425 2.481 20 5 FEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172247524 327189930 /nfs/dbraw/zinc/18/99/30/327189930.db2.gz MOCXAEKSTOCQPN-CQSZACIVSA-N 0 3 357.414 2.133 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173256912 327244534 /nfs/dbraw/zinc/24/45/34/327244534.db2.gz GGWYUQHCZPLHJD-KGLIPLIRSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173630511 327272289 /nfs/dbraw/zinc/27/22/89/327272289.db2.gz RUFGPMMVTRLJOD-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(F)c1 ZINC000173631747 327272601 /nfs/dbraw/zinc/27/26/01/327272601.db2.gz UVYGHUYHPFWYTK-ZDUSSCGKSA-N 0 3 371.434 2.230 20 5 FEBDHN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077895 327372635 /nfs/dbraw/zinc/37/26/35/327372635.db2.gz FXCJTSIDHXRGGT-NWDGAFQWSA-N 0 3 361.851 2.399 20 5 FEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H](N2CCCCC2)C1 ZINC000264557337 329035428 /nfs/dbraw/zinc/03/54/28/329035428.db2.gz DWGHPVMGYQZFSS-ZDUSSCGKSA-N 0 3 361.398 2.066 20 5 FEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000264595491 329039064 /nfs/dbraw/zinc/03/90/64/329039064.db2.gz WUXGJWXTRIGVAJ-ZDUSSCGKSA-N 0 3 363.414 2.312 20 5 FEBDHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875057 329069952 /nfs/dbraw/zinc/06/99/52/329069952.db2.gz PPSPXIYMBCGXAB-GHMZBOCLSA-N 0 3 351.794 2.450 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000265991874 329179808 /nfs/dbraw/zinc/17/98/08/329179808.db2.gz CDLMYIJYQZXHNT-UHFFFAOYSA-N 0 3 371.437 2.437 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265998466 329180405 /nfs/dbraw/zinc/18/04/05/329180405.db2.gz ORLXNSKAPBYVHQ-PBXWNFIWSA-N 0 3 363.414 2.334 20 5 FEBDHN CCCN(C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266190965 329198738 /nfs/dbraw/zinc/19/87/38/329198738.db2.gz GANBNIDKZHZAKU-CYBMUJFWSA-N 0 3 355.460 2.166 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266207029 329200476 /nfs/dbraw/zinc/20/04/76/329200476.db2.gz PMTFKOATKGDHED-WCQYABFASA-N 0 3 359.423 2.085 20 5 FEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267063006 329287899 /nfs/dbraw/zinc/28/78/99/329287899.db2.gz JCQDMKPGHXKPEC-OLZOCXBDSA-N 0 3 353.423 2.026 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@H](C)O1 ZINC000267368897 329319665 /nfs/dbraw/zinc/31/96/65/329319665.db2.gz FKBAIZIYNSQOGE-OKILXGFUSA-N 0 3 364.446 2.274 20 5 FEBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487549 329604769 /nfs/dbraw/zinc/60/47/69/329604769.db2.gz UBQVVJRSUSAGJT-QAPCUYQASA-N 0 3 363.414 2.269 20 5 FEBDHN C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674541 329714231 /nfs/dbraw/zinc/71/42/31/329714231.db2.gz ITQGYSQJIVANAM-BLLLJJGKSA-N 0 3 352.460 2.392 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271965227 329741036 /nfs/dbraw/zinc/74/10/36/329741036.db2.gz GNRXTMWXNVSKOM-UKRRQHHQSA-N 0 3 374.846 2.074 20 5 FEBDHN CN(C)C1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000272570753 329792711 /nfs/dbraw/zinc/79/27/11/329792711.db2.gz VUILDOMTNMZMKC-KRWDZBQOSA-N 0 3 373.457 2.118 20 5 FEBDHN CN(C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000272587994 329794581 /nfs/dbraw/zinc/79/45/81/329794581.db2.gz VZMFGOSDBSPEDF-LLVKDONJSA-N 0 3 370.456 2.019 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000273660084 329882501 /nfs/dbraw/zinc/88/25/01/329882501.db2.gz HWKPDNBSFAFTTH-OCCSQVGLSA-N 0 3 354.432 2.113 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1N1CCCC1 ZINC000274187944 329924311 /nfs/dbraw/zinc/92/43/11/329924311.db2.gz LGPDTCXCQNPUPD-CABCVRRESA-N 0 3 364.471 2.137 20 5 FEBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827034 330093507 /nfs/dbraw/zinc/09/35/07/330093507.db2.gz SUVPNAWIVGXCFQ-CZUORRHYSA-N 0 3 355.822 2.397 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CN2CCCCC2)C1 ZINC000276350893 330143934 /nfs/dbraw/zinc/14/39/34/330143934.db2.gz UKKIFGHMPJTOGW-CQSZACIVSA-N 0 3 367.471 2.311 20 5 FEBDHN CCc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000367052261 330211571 /nfs/dbraw/zinc/21/15/71/330211571.db2.gz JKFHLWPDPWSNIP-MAUKXSAKSA-N 0 3 374.485 2.255 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061801 330212483 /nfs/dbraw/zinc/21/24/83/330212483.db2.gz YMBRSQDCEZAVAV-MSOLQXFVSA-N 0 3 374.441 2.132 20 5 FEBDHN C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000477437540 561144981 /nfs/dbraw/zinc/14/49/81/561144981.db2.gz LRJBUMVWQVUEBB-SNVBAGLBSA-N 0 3 362.352 2.482 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158407800 545858170 /nfs/dbraw/zinc/85/81/70/545858170.db2.gz FEDOAPYAXYIXQU-ZFWWWQNUSA-N 0 3 357.414 2.193 20 5 FEBDHN O=C1NC2(CCCC2)C(=O)N1CCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000479865730 561198302 /nfs/dbraw/zinc/19/83/02/561198302.db2.gz QPRBHNODKKVECR-UHFFFAOYSA-N 0 3 360.414 2.329 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC1CCOCC1 ZINC000176426610 546444606 /nfs/dbraw/zinc/44/46/06/546444606.db2.gz CSECOAAPDOEHPV-QGZVFWFLSA-N 0 3 352.431 2.362 20 5 FEBDHN O=C(CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177943069 546710657 /nfs/dbraw/zinc/71/06/57/546710657.db2.gz FXQYRNKZJXOTAS-HDMKZQKVSA-N 0 3 358.442 2.340 20 5 FEBDHN COCCO[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000179361731 546940591 /nfs/dbraw/zinc/94/05/91/546940591.db2.gz HYAGEXRTIAZZSP-INIZCTEOSA-N 0 3 365.430 2.359 20 5 FEBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)N(C)C)cc1 ZINC000180497427 547119250 /nfs/dbraw/zinc/11/92/50/547119250.db2.gz KOOQUIOEUXUWGE-MRXNPFEDSA-N 0 3 357.414 2.167 20 5 FEBDHN Cc1ccc(CN(CCO)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000181967172 547414860 /nfs/dbraw/zinc/41/48/60/547414860.db2.gz NWWDJFFGQSSILJ-GOSISDBHSA-N 0 3 360.410 2.137 20 5 FEBDHN NC(=O)C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067244 547431390 /nfs/dbraw/zinc/43/13/90/547431390.db2.gz MKTFVEQIGCRSAX-IAGOWNOFSA-N 0 3 374.441 2.114 20 5 FEBDHN O=C(NCCN1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182682043 547533335 /nfs/dbraw/zinc/53/33/35/547533335.db2.gz VGMDULPGYHXGFL-UHFFFAOYSA-N 0 3 368.821 2.179 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cnn(C)c1C ZINC000183311236 547637084 /nfs/dbraw/zinc/63/70/84/547637084.db2.gz JWBPVYOPJWKEOF-NSHDSACASA-N 0 3 361.402 2.325 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184484756 547834136 /nfs/dbraw/zinc/83/41/36/547834136.db2.gz WYAVEJWTMOTULR-AWEZNQCLSA-N 0 3 363.462 2.359 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650046 547860942 /nfs/dbraw/zinc/86/09/42/547860942.db2.gz XHNFFWSUPRXJIQ-AWEZNQCLSA-N 0 3 370.837 2.158 20 5 FEBDHN C[C@@H](C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158738 547943828 /nfs/dbraw/zinc/94/38/28/547943828.db2.gz KAPMFRAAHZZARG-UKRRQHHQSA-N 0 3 367.421 2.407 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000185979858 548068104 /nfs/dbraw/zinc/06/81/04/548068104.db2.gz UEOKFGGWHNJVHS-DYVFJYSZSA-N 0 3 365.455 2.232 20 5 FEBDHN CCOc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152337 561365016 /nfs/dbraw/zinc/36/50/16/561365016.db2.gz RQFPCIVPQREUFO-WBVHZDCISA-N 0 3 362.474 2.456 20 5 FEBDHN COc1ccc(CSCC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237215061 548809100 /nfs/dbraw/zinc/80/91/00/548809100.db2.gz JILQLAKZTQCVJP-RYUDHWBXSA-N 0 3 353.444 2.045 20 5 FEBDHN N[C@@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237878821 548860666 /nfs/dbraw/zinc/86/06/66/548860666.db2.gz NTDJPBTXPLKKQM-HOCLYGCPSA-N 0 3 355.398 2.093 20 5 FEBDHN CC(C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000487914575 561378576 /nfs/dbraw/zinc/37/85/76/561378576.db2.gz JFJSNVQRHAUNKL-KRWDZBQOSA-N 0 3 357.458 2.249 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000245463357 548927516 /nfs/dbraw/zinc/92/75/16/548927516.db2.gz XHYKZBKIEZJUFS-UKRRQHHQSA-N 0 3 371.397 2.173 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246053162 549042011 /nfs/dbraw/zinc/04/20/11/549042011.db2.gz COMNPTHEIYKAHK-ZFWWWQNUSA-N 0 3 355.460 2.254 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000246063137 549044750 /nfs/dbraw/zinc/04/47/50/549044750.db2.gz ZDBBKRQHAWMABM-KGLIPLIRSA-N 0 3 363.414 2.023 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246114376 549055131 /nfs/dbraw/zinc/05/51/31/549055131.db2.gz IPIGHEZTMUJLDO-XJKSGUPXSA-N 0 3 355.460 2.087 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246380214 549119397 /nfs/dbraw/zinc/11/93/97/549119397.db2.gz OPFRNMQMPLKHHR-DZGCQCFKSA-N 0 3 365.455 2.232 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246955102 549250820 /nfs/dbraw/zinc/25/08/20/549250820.db2.gz IHHBWEXPUPPJOC-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000247098062 549283160 /nfs/dbraw/zinc/28/31/60/549283160.db2.gz PWWAVRUBSSOGIY-XJKSGUPXSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000249172203 549564439 /nfs/dbraw/zinc/56/44/39/549564439.db2.gz LMMXWGGMJCWEMY-KBPBESRZSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000253357895 549683287 /nfs/dbraw/zinc/68/32/87/549683287.db2.gz JHUZDOPUHBNHOM-CHWSQXEVSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263717295 549925206 /nfs/dbraw/zinc/92/52/06/549925206.db2.gz NXIZICXUHOKMID-SFHVURJKSA-N 0 3 371.441 2.498 20 5 FEBDHN C[C@@H]1CN(C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000490849457 561439189 /nfs/dbraw/zinc/43/91/89/561439189.db2.gz YKESPKQWEQEJHH-ZRGWGRIASA-N 0 3 363.458 2.029 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000264119751 549981383 /nfs/dbraw/zinc/98/13/83/549981383.db2.gz RKXOECJUTSDQSE-UHFFFAOYSA-N 0 3 359.423 2.227 20 5 FEBDHN CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271114845 550341957 /nfs/dbraw/zinc/34/19/57/550341957.db2.gz QNRVDCCDFFKNIG-QWRGUYRKSA-N 0 3 361.265 2.234 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862884 550474215 /nfs/dbraw/zinc/47/42/15/550474215.db2.gz SEWVSVBIEFOTJJ-SCLBCKFNSA-N 0 3 374.441 2.277 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274843105 550558800 /nfs/dbraw/zinc/55/88/00/550558800.db2.gz DHRMNVTXERFSOR-SFHVURJKSA-N 0 3 374.393 2.312 20 5 FEBDHN C[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468250 550674405 /nfs/dbraw/zinc/67/44/05/550674405.db2.gz PJMXNUHHFOTNPD-HUUCEWRRSA-N 0 3 364.446 2.456 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278350624 550775764 /nfs/dbraw/zinc/77/57/64/550775764.db2.gz AVKOJJNCXHWGKL-ZDUSSCGKSA-N 0 3 371.384 2.304 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000281034841 551056849 /nfs/dbraw/zinc/05/68/49/551056849.db2.gz URDOHQLDUKKXBM-CQSZACIVSA-N 0 3 356.382 2.463 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000282459727 551232206 /nfs/dbraw/zinc/23/22/06/551232206.db2.gz FWEIXIFNLPYTHC-INIZCTEOSA-N 0 3 350.806 2.436 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282749720 551266256 /nfs/dbraw/zinc/26/62/56/551266256.db2.gz BBOORNUBUHUKJD-AWEZNQCLSA-N 0 3 365.821 2.172 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCCCC2)n1 ZINC000498061355 561515042 /nfs/dbraw/zinc/51/50/42/561515042.db2.gz ONXKNRDNPJDTTM-UHFFFAOYSA-N 0 3 357.414 2.244 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1cnc2ccccc2c1=O ZINC000285169458 551714541 /nfs/dbraw/zinc/71/45/41/551714541.db2.gz BAXRUJQFSIWBPD-UHFFFAOYSA-N 0 3 352.394 2.479 20 5 FEBDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285319287 551737259 /nfs/dbraw/zinc/73/72/59/551737259.db2.gz RDMKOXGZWQUQPF-BYQDXSGLSA-N 0 3 365.817 2.193 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066364 551959079 /nfs/dbraw/zinc/95/90/79/551959079.db2.gz JXPXVTRBGIMJKY-WFASDCNBSA-N 0 3 364.421 2.499 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982338 552070674 /nfs/dbraw/zinc/07/06/74/552070674.db2.gz APHCXOAFHHURLN-ZBFHGGJFSA-N 0 3 369.425 2.479 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000288769187 552209128 /nfs/dbraw/zinc/20/91/28/552209128.db2.gz JJZBASGYDQPKAW-NSHDSACASA-N 0 3 368.409 2.217 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCCO2)c1 ZINC000289410617 552316535 /nfs/dbraw/zinc/31/65/35/552316535.db2.gz AHFOAAWLDUBPNK-GFCCVEGCSA-N 0 3 362.167 2.468 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514297 552491113 /nfs/dbraw/zinc/49/11/13/552491113.db2.gz AYFOABAXOGXAHA-DOMZBBRYSA-N 0 3 355.398 2.021 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000291777522 552660716 /nfs/dbraw/zinc/66/07/16/552660716.db2.gz MBRASBMQXVEWEZ-CQSZACIVSA-N 0 3 359.386 2.076 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCCN(C(C)C)CC1 ZINC000292615566 552743137 /nfs/dbraw/zinc/74/31/37/552743137.db2.gz XKVFPTUZBVJCIW-CQSZACIVSA-N 0 3 364.446 2.347 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000292750799 552755197 /nfs/dbraw/zinc/75/51/97/552755197.db2.gz UKXAANHBPMWMPN-SECBINFHSA-N 0 3 369.365 2.090 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000293881511 552864960 /nfs/dbraw/zinc/86/49/60/552864960.db2.gz FVJJCUHXVNEGCF-LJQANCHMSA-N 0 3 356.426 2.494 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000294392683 552902513 /nfs/dbraw/zinc/90/25/13/552902513.db2.gz JXYPQCCCBFXMSS-DOMZBBRYSA-N 0 3 364.421 2.356 20 5 FEBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000294856967 552939149 /nfs/dbraw/zinc/93/91/49/552939149.db2.gz CTXLERGCLSVORG-ZDUSSCGKSA-N 0 3 362.459 2.416 20 5 FEBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842722 553066812 /nfs/dbraw/zinc/06/68/12/553066812.db2.gz CZFWWDSMXLATPT-CVEARBPZSA-N 0 3 363.414 2.479 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000502324040 561616351 /nfs/dbraw/zinc/61/63/51/561616351.db2.gz IVXXFDQKTZJYPY-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN COCCOC1(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000296419384 553156695 /nfs/dbraw/zinc/15/66/95/553156695.db2.gz LHFMEDSMFJBJEH-ZDUSSCGKSA-N 0 3 353.419 2.040 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000296762327 553208385 /nfs/dbraw/zinc/20/83/85/553208385.db2.gz PHOPCTHKXBYVMG-AWEZNQCLSA-N 0 3 364.402 2.004 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000297830838 553344458 /nfs/dbraw/zinc/34/44/58/553344458.db2.gz JXAATGAHLMGFMK-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccncn2)CC1 ZINC000298423325 553423397 /nfs/dbraw/zinc/42/33/97/553423397.db2.gz PTJKYPRUPRBUNP-HNNXBMFYSA-N 0 3 358.398 2.004 20 5 FEBDHN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[NH+]1CCCC1 ZINC000298855192 553481425 /nfs/dbraw/zinc/48/14/25/553481425.db2.gz FBLBJIVRLUXSTQ-OAHLLOKOSA-N 0 3 358.398 2.498 20 5 FEBDHN O=C(c1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301446792 553652400 /nfs/dbraw/zinc/65/24/00/553652400.db2.gz KCHTWLQAUMNINV-INIZCTEOSA-N 0 3 356.426 2.281 20 5 FEBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301510529 553656841 /nfs/dbraw/zinc/65/68/41/553656841.db2.gz CYRKUEYOUZYAOO-GFCCVEGCSA-N 0 3 373.251 2.257 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301836668 553683854 /nfs/dbraw/zinc/68/38/54/553683854.db2.gz XKIRCLYFXNYLAF-OAHLLOKOSA-N 0 3 352.822 2.167 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302284555 553714034 /nfs/dbraw/zinc/71/40/34/553714034.db2.gz VMYFQKMULZLKFX-LLVKDONJSA-N 0 3 372.267 2.190 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000302814392 553734335 /nfs/dbraw/zinc/73/43/35/553734335.db2.gz HZNLCRIXVPVANR-UHFFFAOYSA-N 0 3 366.849 2.301 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000303044759 553743443 /nfs/dbraw/zinc/74/34/43/553743443.db2.gz TZHMHHUTGZRMOH-GFCCVEGCSA-N 0 3 363.443 2.472 20 5 FEBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994082 561713452 /nfs/dbraw/zinc/71/34/52/561713452.db2.gz DWGSFDNSMFPAQV-OCCSQVGLSA-N 0 3 355.398 2.336 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000330892310 554183811 /nfs/dbraw/zinc/18/38/11/554183811.db2.gz XQYIVLQLMFKIRQ-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000332085528 554377236 /nfs/dbraw/zinc/37/72/36/554377236.db2.gz QPLJJSVZPZDPKT-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1C ZINC000332088414 554377890 /nfs/dbraw/zinc/37/78/90/554377890.db2.gz UAEISEABJQPPSR-GOEBONIOSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1sc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000510541056 561838386 /nfs/dbraw/zinc/83/83/86/561838386.db2.gz YKVNQGFNWSUFCF-FOSCPWQOSA-N 0 3 359.473 2.210 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000361110194 554904882 /nfs/dbraw/zinc/90/48/82/554904882.db2.gz VOVHROHWXDRCTD-ABAIWWIYSA-N 0 3 352.822 2.213 20 5 FEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141080 554905638 /nfs/dbraw/zinc/90/56/38/554905638.db2.gz IJYFXULWXOKXSA-HIFRSBDPSA-N 0 3 357.414 2.045 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000363073837 555024122 /nfs/dbraw/zinc/02/41/22/555024122.db2.gz CSUDAMSOPWCZPI-OAHLLOKOSA-N 0 3 361.398 2.082 20 5 FEBDHN Cc1cccc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363346884 555082539 /nfs/dbraw/zinc/08/25/39/555082539.db2.gz ZUWIFDDCZCGVNS-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN NC(=O)c1ccc(NC[C@H]2CCCN(Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000363407567 555097664 /nfs/dbraw/zinc/09/76/64/555097664.db2.gz ZWZDWTCHNXTKLX-OAHLLOKOSA-N 0 3 369.425 2.413 20 5 FEBDHN CCc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000364319675 555290308 /nfs/dbraw/zinc/29/03/08/555290308.db2.gz MHONTWGRDVOTBW-QGZVFWFLSA-N 0 3 360.458 2.009 20 5 FEBDHN CCCN(CCN1CCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512473794 561906515 /nfs/dbraw/zinc/90/65/15/561906515.db2.gz GNNNSOBMEWZQLL-UHFFFAOYSA-N 0 3 360.458 2.292 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000364776478 555400031 /nfs/dbraw/zinc/40/00/31/555400031.db2.gz IHZSOSFZZNLXAZ-UHFFFAOYSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@H](CO)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000364967685 555452493 /nfs/dbraw/zinc/45/24/93/555452493.db2.gz AHBJUIVLQWASFR-GFCCVEGCSA-N 0 3 359.373 2.085 20 5 FEBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000365338526 555547610 /nfs/dbraw/zinc/54/76/10/555547610.db2.gz HOEFPIPRJCVBQJ-CQSZACIVSA-N 0 3 366.849 2.100 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000365772445 555664283 /nfs/dbraw/zinc/66/42/83/555664283.db2.gz AEIPNRLGYCECQG-BONVTDFDSA-N 0 3 355.797 2.482 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284684 556008366 /nfs/dbraw/zinc/00/83/66/556008366.db2.gz FLUQCPNYJQMJPX-MRXNPFEDSA-N 0 3 350.438 2.336 20 5 FEBDHN CN1CCC2(CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000368470055 556318875 /nfs/dbraw/zinc/31/88/75/556318875.db2.gz KIYNINGOPZJSIW-UHFFFAOYSA-N 0 3 372.429 2.241 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@H]2CCCOC2)CC1 ZINC000368612460 556362313 /nfs/dbraw/zinc/36/23/13/556362313.db2.gz KPJCJUVBJPDDIH-IRXDYDNUSA-N 0 3 364.442 2.473 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1nnc2n1CCOC2 ZINC000368989720 556469334 /nfs/dbraw/zinc/46/93/34/556469334.db2.gz KDZUOBVZGZRALV-DZGCQCFKSA-N 0 3 357.414 2.218 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369153687 556519005 /nfs/dbraw/zinc/51/90/05/556519005.db2.gz DPXUFOLFGJGMBX-UHFFFAOYSA-N 0 3 360.458 2.227 20 5 FEBDHN Cc1cc(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369310134 556571204 /nfs/dbraw/zinc/57/12/04/556571204.db2.gz LNGYVWBLRDBWJG-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C1CCN(C)CC1 ZINC000370121532 556786410 /nfs/dbraw/zinc/78/64/10/556786410.db2.gz MSHMXYZOQFCOFC-CQSZACIVSA-N 0 3 359.474 2.168 20 5 FEBDHN O=C(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)NC1CCN(C2CC2)CC1 ZINC000516877953 562062444 /nfs/dbraw/zinc/06/24/44/562062444.db2.gz RTMWABFWICDQDT-UHFFFAOYSA-N 0 3 369.425 2.201 20 5 FEBDHN COCCCN1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000370537802 556902868 /nfs/dbraw/zinc/90/28/68/556902868.db2.gz BZXNVLMQSMMZSO-UHFFFAOYSA-N 0 3 365.430 2.238 20 5 FEBDHN CN(C)CCn1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000517040542 562073214 /nfs/dbraw/zinc/07/32/14/562073214.db2.gz RXDRWGCFBQFSFI-UHFFFAOYSA-N 0 3 359.430 2.106 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517595594 562093526 /nfs/dbraw/zinc/09/35/26/562093526.db2.gz BREWBIMWCBAEOT-GJZGRUSLSA-N 0 3 364.446 2.393 20 5 FEBDHN C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784304 557292569 /nfs/dbraw/zinc/29/25/69/557292569.db2.gz RGJKKDGUWXTOKY-WFASDCNBSA-N 0 3 365.405 2.207 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371872662 557316173 /nfs/dbraw/zinc/31/61/73/557316173.db2.gz MPBQYLFIRPTOSR-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN O=C(Nc1cccc2c1CCNC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519140407 562125712 /nfs/dbraw/zinc/12/57/12/562125712.db2.gz ALMCCGUURNPXJS-UHFFFAOYSA-N 0 3 355.350 2.264 20 5 FEBDHN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000373063881 557619809 /nfs/dbraw/zinc/61/98/09/557619809.db2.gz RADJLKBSQAVBJU-YOEHRIQHSA-N 0 3 359.474 2.025 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471135 557699851 /nfs/dbraw/zinc/69/98/51/557699851.db2.gz KJVICLYMSZBBDF-HUUCEWRRSA-N 0 3 364.450 2.012 20 5 FEBDHN C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896623 557947298 /nfs/dbraw/zinc/94/72/98/557947298.db2.gz OZZSAFNZFGIRCQ-AEFFLSMTSA-N 0 3 373.457 2.013 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000374968516 557957733 /nfs/dbraw/zinc/95/77/33/557957733.db2.gz IOQPEXOINOMTPB-UHFFFAOYSA-N 0 3 366.487 2.146 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000375062040 557972145 /nfs/dbraw/zinc/97/21/45/557972145.db2.gz RVZFWQPKNNNBOI-BEFAXECRSA-N 0 3 372.469 2.364 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000376345285 558160892 /nfs/dbraw/zinc/16/08/92/558160892.db2.gz ZQQSBPJLORJOQB-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569792 558191851 /nfs/dbraw/zinc/19/18/51/558191851.db2.gz PXSXQGCPZYQMOT-KDOFPFPSSA-N 0 3 369.425 2.479 20 5 FEBDHN Cn1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377389800 558331684 /nfs/dbraw/zinc/33/16/84/558331684.db2.gz IHUSTWBURATZGY-CQSZACIVSA-N 0 3 367.413 2.493 20 5 FEBDHN COc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000377637018 558382931 /nfs/dbraw/zinc/38/29/31/558382931.db2.gz NFYVFZSUMCULRK-CQSZACIVSA-N 0 3 370.409 2.071 20 5 FEBDHN Cn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCCN2C)cn1 ZINC000377693822 558399379 /nfs/dbraw/zinc/39/93/79/558399379.db2.gz CKWOITGVHFYSAO-APPDUMDISA-N 0 3 371.401 2.360 20 5 FEBDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253328 558512344 /nfs/dbraw/zinc/51/23/44/558512344.db2.gz QJKBLYBBUWHAAM-KZNAEPCWSA-N 0 3 361.442 2.494 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C)c([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000378347088 558534734 /nfs/dbraw/zinc/53/47/34/558534734.db2.gz BXWPJCFAPNRIIW-HZPDHXFCSA-N 0 3 371.441 2.412 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603876 558592239 /nfs/dbraw/zinc/59/22/39/558592239.db2.gz FDTZJOBXGXOLBF-GDBMZVCRSA-N 0 3 371.441 2.311 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239627 558659724 /nfs/dbraw/zinc/65/97/24/558659724.db2.gz ZTOCLZOAYMCPFZ-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457527 558693836 /nfs/dbraw/zinc/69/38/36/558693836.db2.gz TZGUGXDBBPPDRW-GDBMZVCRSA-N 0 3 357.414 2.133 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000524871995 562236456 /nfs/dbraw/zinc/23/64/56/562236456.db2.gz MQJKAPPVFMKFMI-TZMCWYRMSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411317739 558875566 /nfs/dbraw/zinc/87/55/66/558875566.db2.gz PDBWZGFXSCDUDD-CJNGLKHVSA-N 0 3 363.414 2.433 20 5 FEBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000411655729 558937109 /nfs/dbraw/zinc/93/71/09/558937109.db2.gz MKVMXJBOHHXSPV-HIFRSBDPSA-N 0 3 351.403 2.049 20 5 FEBDHN COCCCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411899284 558984574 /nfs/dbraw/zinc/98/45/74/558984574.db2.gz BJQPUIWZMLHRLL-ZWKOTPCHSA-N 0 3 361.442 2.315 20 5 FEBDHN COC(=O)[C@@]1(C)CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412105120 559014224 /nfs/dbraw/zinc/01/42/24/559014224.db2.gz OPUFIDXXAOWGED-KRWDZBQOSA-N 0 3 352.387 2.257 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413375821 559103177 /nfs/dbraw/zinc/10/31/77/559103177.db2.gz TUZQCXQTCWLEOU-UHFFFAOYSA-N 0 3 353.419 2.032 20 5 FEBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000413506311 559112693 /nfs/dbraw/zinc/11/26/93/559112693.db2.gz VOQKWSXLUQFUBL-JTQLQIEISA-N 0 3 361.320 2.155 20 5 FEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000414307471 559155576 /nfs/dbraw/zinc/15/55/76/559155576.db2.gz UTHPHPMUGKYLAO-ZBINZKHDSA-N 0 3 357.357 2.450 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416661889 559328405 /nfs/dbraw/zinc/32/84/05/559328405.db2.gz NHOXKKXCOMIRAY-UHFFFAOYSA-N 0 3 355.460 2.231 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416664596 559328575 /nfs/dbraw/zinc/32/85/75/559328575.db2.gz SXQZLLDMKMULEJ-UHFFFAOYSA-N 0 3 369.487 2.273 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1ccccc1 ZINC000420397027 559485283 /nfs/dbraw/zinc/48/52/83/559485283.db2.gz FUOHCHRNWKIXGC-SFHVURJKSA-N 0 3 354.410 2.488 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000420410706 559486241 /nfs/dbraw/zinc/48/62/41/559486241.db2.gz RGIXWCMPGCPQJH-GOSISDBHSA-N 0 3 354.410 2.488 20 5 FEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421707687 559550259 /nfs/dbraw/zinc/55/02/59/559550259.db2.gz YDBNJNMPBMIZJG-HNNXBMFYSA-N 0 3 357.414 2.162 20 5 FEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCNCc1cccnc1 ZINC000422732424 559604823 /nfs/dbraw/zinc/60/48/23/559604823.db2.gz OJDUGIHBUCNEFD-UHFFFAOYSA-N 0 3 358.398 2.298 20 5 FEBDHN N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411996 559628312 /nfs/dbraw/zinc/62/83/12/559628312.db2.gz GRVNQUBJTOIZAT-HOCLYGCPSA-N 0 3 361.446 2.300 20 5 FEBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425548549 559709126 /nfs/dbraw/zinc/70/91/26/559709126.db2.gz NBAPICSUOKJQKO-ZYHUDNBSSA-N 0 3 355.358 2.313 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)n1 ZINC000425615706 559711684 /nfs/dbraw/zinc/71/16/84/559711684.db2.gz ZVJNQCKORJRDMY-CQSZACIVSA-N 0 3 357.414 2.334 20 5 FEBDHN CCN(CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000428012974 559767405 /nfs/dbraw/zinc/76/74/05/559767405.db2.gz WMDZPTWXNXSONH-UHFFFAOYSA-N 0 3 358.398 2.122 20 5 FEBDHN Cc1cc(OCC(=O)N(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000431643826 559843212 /nfs/dbraw/zinc/84/32/12/559843212.db2.gz DYNTXEJMJDFHOE-UHFFFAOYSA-N 0 3 372.425 2.267 20 5 FEBDHN COCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193609 559873165 /nfs/dbraw/zinc/87/31/65/559873165.db2.gz RKZNZSUSUMBSCV-HZPDHXFCSA-N 0 3 370.471 2.179 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCCN1CCN(CCO)CC1 ZINC000444839145 560122247 /nfs/dbraw/zinc/12/22/47/560122247.db2.gz XWSFOHUMAZMRDG-UHFFFAOYSA-N 0 3 370.881 2.359 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450257912 560256166 /nfs/dbraw/zinc/25/61/66/560256166.db2.gz NZSYHEYBHDOXHG-AWEZNQCLSA-N 0 3 373.457 2.011 20 5 FEBDHN CC[C@@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000450310182 560257993 /nfs/dbraw/zinc/25/79/93/560257993.db2.gz CPUTZIRHNOLZLG-ZIAGYGMSSA-N 0 3 374.441 2.433 20 5 FEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)nc1-c1ccccc1 ZINC000450588016 560267148 /nfs/dbraw/zinc/26/71/48/560267148.db2.gz ASOXXHBDFAGFBT-MRXNPFEDSA-N 0 3 356.426 2.916 20 5 FEBDHN COc1ccc(OCCNC2(C(=O)N(C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000451406764 560305087 /nfs/dbraw/zinc/30/50/87/560305087.db2.gz SBJXROVHBPEJLX-UHFFFAOYSA-N 0 3 365.430 2.363 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000451487020 560310010 /nfs/dbraw/zinc/31/00/10/560310010.db2.gz KSOAMSGRCTZZOT-YOEHRIQHSA-N 0 3 351.403 2.335 20 5 FEBDHN COc1ccc(OCCN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451700965 560323192 /nfs/dbraw/zinc/32/31/92/560323192.db2.gz YZTLGRPMIIZWHH-RBSFLKMASA-N 0 3 350.415 2.465 20 5 FEBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454197747 560434109 /nfs/dbraw/zinc/43/41/09/560434109.db2.gz KWRKUIKWWFAKNN-GFCCVEGCSA-N 0 3 356.810 2.217 20 5 FEBDHN CNc1nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455946462 560501557 /nfs/dbraw/zinc/50/15/57/560501557.db2.gz VQPVKKZUGUOUQJ-HNNXBMFYSA-N 0 3 369.425 2.378 20 5 FEBDHN CCc1n[nH]c(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346302 560516383 /nfs/dbraw/zinc/51/63/83/560516383.db2.gz SVCTUPRNJZQNKX-AWEZNQCLSA-N 0 3 371.441 2.474 20 5 FEBDHN CCc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346302 560516384 /nfs/dbraw/zinc/51/63/84/560516384.db2.gz SVCTUPRNJZQNKX-AWEZNQCLSA-N 0 3 371.441 2.474 20 5 FEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457089725 560548002 /nfs/dbraw/zinc/54/80/02/560548002.db2.gz QJOABPNXJAGJNM-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457899752 560593196 /nfs/dbraw/zinc/59/31/96/560593196.db2.gz KFMMRVGLMYQVEV-OAHLLOKOSA-N 0 3 350.419 2.228 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458198316 560608409 /nfs/dbraw/zinc/60/84/09/560608409.db2.gz HNLCVEFJBLCHST-UHFFFAOYSA-N 0 3 351.432 2.146 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458198316 560608410 /nfs/dbraw/zinc/60/84/10/560608410.db2.gz HNLCVEFJBLCHST-UHFFFAOYSA-N 0 3 351.432 2.146 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000464858490 560853725 /nfs/dbraw/zinc/85/37/25/560853725.db2.gz WWJBHZTULRILPL-CJNGLKHVSA-N 0 3 363.414 2.433 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716784 560915663 /nfs/dbraw/zinc/91/56/63/560915663.db2.gz VGJAFSZZJZWXEX-SJCJKPOMSA-N 0 3 369.425 2.208 20 5 FEBDHN CCOc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000470083331 560973869 /nfs/dbraw/zinc/97/38/69/560973869.db2.gz VEOJBBFMCISBKV-CQSZACIVSA-N 0 3 365.430 2.224 20 5 FEBDHN COC(=O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470150026 560975407 /nfs/dbraw/zinc/97/54/07/560975407.db2.gz GBQJHKOBNMRTRV-MLGOLLRUSA-N 0 3 358.398 2.379 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985009 561062925 /nfs/dbraw/zinc/06/29/25/561062925.db2.gz RHOAOBYDKDNWFK-SWLSCSKDSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000474025122 561063821 /nfs/dbraw/zinc/06/38/21/561063821.db2.gz ZYLXVEXAKYXXDH-NSHDSACASA-N 0 3 365.411 2.496 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474357185 561071984 /nfs/dbraw/zinc/07/19/84/561071984.db2.gz PXLPYFCXZRSOAG-HNNXBMFYSA-N 0 3 372.377 2.240 20 5 FEBDHN CN(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475209492 561092961 /nfs/dbraw/zinc/09/29/61/561092961.db2.gz DUUIPDFSRDUHSP-UHFFFAOYSA-N 0 3 364.324 2.313 20 5 FEBDHN CCN1C[C@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475713844 561103023 /nfs/dbraw/zinc/10/30/23/561103023.db2.gz FSEJUDVGHHDGIH-KBPBESRZSA-N 0 3 365.430 2.061 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000476634027 561124957 /nfs/dbraw/zinc/12/49/57/561124957.db2.gz RPUVNLUZULIWGO-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CC1(C)CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000532011993 562463904 /nfs/dbraw/zinc/46/39/04/562463904.db2.gz WTQUUUQEJKHGHS-CYBMUJFWSA-N 0 3 355.460 2.432 20 5 FEBDHN CN(C)CC1(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCC1 ZINC000540995424 562599808 /nfs/dbraw/zinc/59/98/08/562599808.db2.gz NEHBHJNNTKPAKL-UHFFFAOYSA-N 0 3 357.414 2.456 20 5 FEBDHN C[C@@H]1CCCC[C@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375709 562610737 /nfs/dbraw/zinc/61/07/37/562610737.db2.gz WTTVDTJGOBATME-KGLIPLIRSA-N 0 3 355.460 2.289 20 5 FEBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908372 562622985 /nfs/dbraw/zinc/62/29/85/562622985.db2.gz KXWWCQZXWRPBBX-HIFRSBDPSA-N 0 3 355.398 2.369 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925096 568717824 /nfs/dbraw/zinc/71/78/24/568717824.db2.gz CGYMMNKNEFJXQV-MRRJBJDNSA-N 0 3 367.833 2.397 20 5 FEBDHN CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736509697 598498925 /nfs/dbraw/zinc/49/89/25/598498925.db2.gz IVZDNGZMRQFIRO-UHFFFAOYSA-N 0 3 368.401 2.234 20 5 FEBDHN CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736509697 598498927 /nfs/dbraw/zinc/49/89/27/598498927.db2.gz IVZDNGZMRQFIRO-UHFFFAOYSA-N 0 3 368.401 2.234 20 5 FEBDHN CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736509697 598498928 /nfs/dbraw/zinc/49/89/28/598498928.db2.gz IVZDNGZMRQFIRO-UHFFFAOYSA-N 0 3 368.401 2.234 20 5 FEBDHN CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736509697 598498930 /nfs/dbraw/zinc/49/89/30/598498930.db2.gz IVZDNGZMRQFIRO-UHFFFAOYSA-N 0 3 368.401 2.234 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027551 674480003 /nfs/dbraw/zinc/48/00/03/674480003.db2.gz YTMZRYZTVUJWSD-MJVIPROJSA-N 0 3 350.394 2.118 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640023 607470659 /nfs/dbraw/zinc/47/06/59/607470659.db2.gz PPGIBSFZPPNHER-WBMJQRKESA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640023 607470660 /nfs/dbraw/zinc/47/06/60/607470660.db2.gz PPGIBSFZPPNHER-WBMJQRKESA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640023 607470661 /nfs/dbraw/zinc/47/06/61/607470661.db2.gz PPGIBSFZPPNHER-WBMJQRKESA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640023 607470662 /nfs/dbraw/zinc/47/06/62/607470662.db2.gz PPGIBSFZPPNHER-WBMJQRKESA-N 0 3 369.429 2.228 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916388 674519386 /nfs/dbraw/zinc/51/93/86/674519386.db2.gz IPGXRJVUVGERKX-NSHDSACASA-N 0 3 356.810 2.481 20 5 FEBDHN CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820076843 606199550 /nfs/dbraw/zinc/19/95/50/606199550.db2.gz UXYJUZLZTVYVMN-UHFFFAOYSA-N 0 3 374.449 2.340 20 5 FEBDHN CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820076843 606199551 /nfs/dbraw/zinc/19/95/51/606199551.db2.gz UXYJUZLZTVYVMN-UHFFFAOYSA-N 0 3 374.449 2.340 20 5 FEBDHN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000885 606224326 /nfs/dbraw/zinc/22/43/26/606224326.db2.gz KXJSUPHBZCBIBA-GXTWGEPZSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000885 606224328 /nfs/dbraw/zinc/22/43/28/606224328.db2.gz KXJSUPHBZCBIBA-GXTWGEPZSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000885 606224330 /nfs/dbraw/zinc/22/43/30/606224330.db2.gz KXJSUPHBZCBIBA-GXTWGEPZSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000885 606224332 /nfs/dbraw/zinc/22/43/32/606224332.db2.gz KXJSUPHBZCBIBA-GXTWGEPZSA-N 0 3 357.418 2.228 20 5 FEBDHN COC(=O)c1cc(C)nc(NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000559588580 674548847 /nfs/dbraw/zinc/54/88/47/674548847.db2.gz PBKYJNIVUYMRRF-GFCCVEGCSA-N 0 3 364.427 2.861 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000561552443 674678887 /nfs/dbraw/zinc/67/88/87/674678887.db2.gz QPYLMNSDTMWGDE-CZUORRHYSA-N 0 3 367.471 2.405 20 5 FEBDHN CC(COC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1)[N+](=O)[O-] ZINC000813114607 674721421 /nfs/dbraw/zinc/72/14/21/674721421.db2.gz UGUHCHAUFUEWQF-NWDGAFQWSA-N 0 3 367.427 2.007 20 5 FEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[N+](=O)[O-] ZINC000813106014 674719974 /nfs/dbraw/zinc/71/99/74/674719974.db2.gz XNMIAISCTPCRKB-NXEZZACHSA-N 0 3 371.187 2.010 20 5 FEBDHN CC(COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813105677 674720135 /nfs/dbraw/zinc/72/01/35/674720135.db2.gz ROAHLPXFOYMKAM-ZETCQYMHSA-N 0 3 352.221 2.358 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430995 674744582 /nfs/dbraw/zinc/74/45/82/674744582.db2.gz YXHKXLRBUOMMDD-MNOVXSKESA-N 0 3 374.224 2.495 20 5 FEBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127971 674848317 /nfs/dbraw/zinc/84/83/17/674848317.db2.gz YLGRELJIGFTDDE-HTQZYQBOSA-N 0 3 355.338 2.018 20 5 FEBDHN Cc1c(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047147817 670235071 /nfs/dbraw/zinc/23/50/71/670235071.db2.gz VUKBCAQQVGSWEV-LLVKDONJSA-N 0 3 350.375 2.273 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000065977962 670435935 /nfs/dbraw/zinc/43/59/35/670435935.db2.gz BUKVIEQYGDIGPG-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CN(C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569629632 670588764 /nfs/dbraw/zinc/58/87/64/670588764.db2.gz PVUJONRSICICII-AWEZNQCLSA-N 0 3 363.805 2.490 20 5 FEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452249 675122450 /nfs/dbraw/zinc/12/24/50/675122450.db2.gz ZRPDHFHQARHJOX-NILFDRSVSA-N 0 3 356.444 2.018 20 5 FEBDHN Cc1c(C(=O)N(C)CCN2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000103116483 670779817 /nfs/dbraw/zinc/77/98/17/670779817.db2.gz HSMKJCACAISNDP-UHFFFAOYSA-N 0 3 350.375 2.288 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000105424422 670801318 /nfs/dbraw/zinc/80/13/18/670801318.db2.gz LRSUYMBRIYRGGO-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020282 675168269 /nfs/dbraw/zinc/16/82/69/675168269.db2.gz KWEUHUSUXAIZOQ-RRFJBIMHSA-N 0 3 353.444 2.032 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000580890585 671843783 /nfs/dbraw/zinc/84/37/83/671843783.db2.gz NKAGTBDBYGHCKB-CJNGLKHVSA-N 0 3 367.471 2.405 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610134957 675955889 /nfs/dbraw/zinc/95/58/89/675955889.db2.gz HLLDSCZPVUIBIM-UONOGXRCSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000610135306 675956193 /nfs/dbraw/zinc/95/61/93/675956193.db2.gz PLMNXMXWPUCKQE-NEPJUHHUSA-N 0 3 359.423 2.227 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000610135397 675956223 /nfs/dbraw/zinc/95/62/23/675956223.db2.gz RCWVQNIBOYHXMA-UONOGXRCSA-N 0 3 355.460 2.397 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000151261691 672159501 /nfs/dbraw/zinc/15/95/01/672159501.db2.gz JPAABMQJFAYRIK-UHFFFAOYSA-N 0 3 373.862 2.294 20 5 FEBDHN CCCCCCNC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221807 672374459 /nfs/dbraw/zinc/37/44/59/672374459.db2.gz ZXTTUEVKHKQPJL-HNNXBMFYSA-N 0 3 351.451 2.200 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590046969 672556723 /nfs/dbraw/zinc/55/67/23/672556723.db2.gz QEUYGKLGAQXGHI-IINYFYTJSA-N 0 3 368.231 2.442 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590447664 672583316 /nfs/dbraw/zinc/58/33/16/672583316.db2.gz ZCRQIEAYFWQJBQ-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611397509 676035614 /nfs/dbraw/zinc/03/56/14/676035614.db2.gz JHJNLCTZMFWWEU-CYBMUJFWSA-N 0 3 350.419 2.066 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000195621184 672786739 /nfs/dbraw/zinc/78/67/39/672786739.db2.gz PBOGBOHFRJYMRZ-NEPJUHHUSA-N 0 3 350.375 2.353 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)cc1OC ZINC000592543894 672812777 /nfs/dbraw/zinc/81/27/77/672812777.db2.gz VQCUIZLUFARFMK-CYBMUJFWSA-N 0 3 351.403 2.072 20 5 FEBDHN C[C@H](CCO)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593107724 672877702 /nfs/dbraw/zinc/87/77/02/672877702.db2.gz HKONMSIRSIDIHB-SECBINFHSA-N 0 3 364.183 2.402 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542762666 673603412 /nfs/dbraw/zinc/60/34/12/673603412.db2.gz HLLPZFGGMZOSID-ZDUSSCGKSA-N 0 3 354.382 2.308 20 5 FEBDHN COc1cc(CNC[C@@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1OC ZINC000598986873 673626466 /nfs/dbraw/zinc/62/64/66/673626466.db2.gz GAIIKTJIMCFUHZ-LBPRGKRZSA-N 0 3 359.373 2.431 20 5 FEBDHN CC[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073802 673631580 /nfs/dbraw/zinc/63/15/80/673631580.db2.gz RYSAYTSANYMWJG-BZUAXINKSA-N 0 3 355.460 2.496 20 5 FEBDHN CC[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073801 673631628 /nfs/dbraw/zinc/63/16/28/673631628.db2.gz RYSAYTSANYMWJG-ARFHVFGLSA-N 0 3 355.460 2.496 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000740894709 673660059 /nfs/dbraw/zinc/66/00/59/673660059.db2.gz VSHLHQCEXPCIAZ-RYUDHWBXSA-N 0 3 359.423 2.227 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)CCCN2CCCC2)c1[N+](=O)[O-] ZINC000544597712 673719867 /nfs/dbraw/zinc/71/98/67/673719867.db2.gz ABUSYGLLSQBBFX-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000744344801 673794157 /nfs/dbraw/zinc/79/41/57/673794157.db2.gz FWTGLKQAAGZHBT-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601468650 673867594 /nfs/dbraw/zinc/86/75/94/673867594.db2.gz FRZUDUBSGZZIJC-CYBMUJFWSA-N 0 3 373.500 2.365 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601468650 673867597 /nfs/dbraw/zinc/86/75/97/673867597.db2.gz FRZUDUBSGZZIJC-CYBMUJFWSA-N 0 3 373.500 2.365 20 5 FEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000602960578 673914635 /nfs/dbraw/zinc/91/46/35/673914635.db2.gz MZDTYDSMQGVKIH-UHFFFAOYSA-N 0 3 363.443 2.377 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C/CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224356 675271397 /nfs/dbraw/zinc/27/13/97/675271397.db2.gz CJXHBWVGAWEEJH-MBVDDHJVSA-N 0 3 351.403 2.299 20 5 FEBDHN CCOC(=O)CC(C)(C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000838840835 680721880 /nfs/dbraw/zinc/72/18/80/680721880.db2.gz MZOCUXYFCDEQPG-CYBMUJFWSA-N 0 3 350.419 2.455 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(N3CCOCC3)CCOCC2)c1 ZINC000839165452 680742530 /nfs/dbraw/zinc/74/25/30/680742530.db2.gz OIZSULHCNJPRPI-UHFFFAOYSA-N 0 3 369.849 2.219 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749911977 680085983 /nfs/dbraw/zinc/08/59/83/680085983.db2.gz RESVAXUXSVYCBG-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942234 680506192 /nfs/dbraw/zinc/50/61/92/680506192.db2.gz BNMBGBJUHCZHTK-CQSZACIVSA-N 0 3 370.837 2.158 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000772156644 681088082 /nfs/dbraw/zinc/08/80/82/681088082.db2.gz SDYDITLJCUWUES-CHWSQXEVSA-N 0 3 353.806 2.150 20 5 FEBDHN CO[C@H](C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000845884360 681159267 /nfs/dbraw/zinc/15/92/67/681159267.db2.gz YCOUSNXKHHWWDV-KMUNFCNLSA-N 0 3 351.334 2.196 20 5 FEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2ccc(Cl)cc2)C1 ZINC000950055706 681670682 /nfs/dbraw/zinc/67/06/82/681670682.db2.gz MJHYDXZYCNDROK-IAGOWNOFSA-N 0 3 365.861 2.471 20 5 FEBDHN N[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000850731098 681950114 /nfs/dbraw/zinc/95/01/14/681950114.db2.gz YWZKCPAFVUWLHY-NXEZZACHSA-N 0 3 361.171 2.260 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000854643864 682574501 /nfs/dbraw/zinc/57/45/01/682574501.db2.gz ZJDMWAVLHSNAOO-ZBFHGGJFSA-N 0 3 367.833 2.492 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855897752 682723419 /nfs/dbraw/zinc/72/34/19/682723419.db2.gz GHULBUOTXJWLQQ-GFCCVEGCSA-N 0 3 350.375 2.353 20 5 FEBDHN CC(C)N1CCN(CCCOC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000791794381 682766496 /nfs/dbraw/zinc/76/64/96/682766496.db2.gz LTKSRWHUMKOZLS-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN COc1cc(OS(=O)(=O)c2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000795214716 683029611 /nfs/dbraw/zinc/02/96/11/683029611.db2.gz MRICVNCWNJBZLV-UHFFFAOYSA-N 0 3 366.395 2.433 20 5 FEBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342955 683391943 /nfs/dbraw/zinc/39/19/43/683391943.db2.gz FQCPLQKAGJZDHP-CXAGYDPISA-N 0 3 351.403 2.049 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(C2(O)CCOCC2)CC1 ZINC000922597082 683751534 /nfs/dbraw/zinc/75/15/34/683751534.db2.gz JFAVHDHCEQRZAJ-UHFFFAOYSA-N 0 3 350.415 2.405 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1F ZINC000866972197 684189538 /nfs/dbraw/zinc/18/95/38/684189538.db2.gz NQKLZRBUKMBBBK-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000925763243 684583662 /nfs/dbraw/zinc/58/36/62/684583662.db2.gz RDNDAVUQAMZWTF-GJZGRUSLSA-N 0 3 370.247 2.214 20 5 FEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccnc3OCC(F)F)C2)c1 ZINC000877124618 686329085 /nfs/dbraw/zinc/32/90/85/686329085.db2.gz YHOWYOBVYSBSDH-UHFFFAOYSA-N 0 3 353.329 2.324 20 5 FEBDHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134444 687004022 /nfs/dbraw/zinc/00/40/22/687004022.db2.gz MVJXRFHZWZTOOH-LSDHHAIUSA-N 0 3 352.822 2.355 20 5 FEBDHN CN1C[C@@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000896306525 689852884 /nfs/dbraw/zinc/85/28/84/689852884.db2.gz TVFMRGUCAKETDM-QMMMGPOBSA-N 0 3 362.249 2.377 20 5 FEBDHN C[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852758 691183250 /nfs/dbraw/zinc/18/32/50/691183250.db2.gz NDMHQESPGRXWPN-MAZHCROVSA-N 0 3 364.471 2.091 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902112 721520446 /nfs/dbraw/zinc/52/04/46/721520446.db2.gz ZGLLPAZGMFXANQ-HOCLYGCPSA-N 0 3 358.373 2.471 20 5 FEBDHN COc1cc(I)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377280 684713481 /nfs/dbraw/zinc/71/34/81/684713481.db2.gz PMTBKNIIYADHLO-ZETCQYMHSA-N 0 3 365.123 2.122 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000032417212 539938476 /nfs/dbraw/zinc/93/84/76/539938476.db2.gz MCDHNMKDXVBWQQ-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041664470 540029525 /nfs/dbraw/zinc/02/95/25/540029525.db2.gz VZWNXKVUVGHMPP-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000043893430 540114699 /nfs/dbraw/zinc/11/46/99/540114699.db2.gz PNIVWPGEZWNRKA-CABCVRRESA-N 0 3 363.462 2.426 20 5 FEBDHN CN1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000047773513 540328610 /nfs/dbraw/zinc/32/86/10/540328610.db2.gz KCEFPEYUAIZUDA-UHFFFAOYSA-N 0 3 361.320 2.360 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000048716914 540371458 /nfs/dbraw/zinc/37/14/58/540371458.db2.gz VXEIXXMZXQJECK-CYBMUJFWSA-N 0 3 354.428 2.219 20 5 FEBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699326 540550376 /nfs/dbraw/zinc/55/03/76/540550376.db2.gz NJUUIDWNOUPJBB-ZDUSSCGKSA-N 0 3 355.460 2.384 20 5 FEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(C)CC1 ZINC000066633865 541350875 /nfs/dbraw/zinc/35/08/75/541350875.db2.gz GJSTZPOMYJCVGX-CYBMUJFWSA-N 0 3 363.414 2.216 20 5 FEBDHN CN(C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000068200544 541561823 /nfs/dbraw/zinc/56/18/23/541561823.db2.gz WDLVVVVGZNOPQZ-INIZCTEOSA-N 0 3 356.426 2.296 20 5 FEBDHN COc1cc(OCC(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068882475 541636385 /nfs/dbraw/zinc/63/63/85/541636385.db2.gz WWCBLXYEEOCTCZ-UONOGXRCSA-N 0 3 365.430 2.219 20 5 FEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000075109285 542153243 /nfs/dbraw/zinc/15/32/43/542153243.db2.gz PMVJUUIYZJRVLL-UHFFFAOYSA-N 0 3 355.398 2.064 20 5 FEBDHN CCO[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403915 542275110 /nfs/dbraw/zinc/27/51/10/542275110.db2.gz MGTZWUPXPFPDLP-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078427968 542461264 /nfs/dbraw/zinc/46/12/64/542461264.db2.gz QYPOXTKLZRPNCD-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN CN1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079893466 542548928 /nfs/dbraw/zinc/54/89/28/542548928.db2.gz NKPPRURRHQURAW-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN Cn1cc(CN2CCCC[C@H]2CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092588316 542873608 /nfs/dbraw/zinc/87/36/08/542873608.db2.gz PRBKNCVDAJCDLG-INIZCTEOSA-N 0 3 357.414 2.225 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000093818093 542942681 /nfs/dbraw/zinc/94/26/81/542942681.db2.gz UKRRLNIJZGYPKS-CYBMUJFWSA-N 0 3 371.384 2.350 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000106891623 543253163 /nfs/dbraw/zinc/25/31/63/543253163.db2.gz OVNGKHHEWZZPKE-LLVKDONJSA-N 0 3 357.407 2.029 20 5 FEBDHN COc1ccc(CSCC(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108342761 543286724 /nfs/dbraw/zinc/28/67/24/543286724.db2.gz WCYKMBLSNDVEIP-AWEZNQCLSA-N 0 3 367.471 2.295 20 5 FEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079349 543429798 /nfs/dbraw/zinc/42/97/98/543429798.db2.gz CFKFZJNRLMNHSS-QGZVFWFLSA-N 0 3 371.441 2.498 20 5 FEBDHN CCOc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000113230546 543478441 /nfs/dbraw/zinc/47/84/41/543478441.db2.gz JPKKHZYVPFQLBW-QWHCGFSZSA-N 0 3 363.414 2.311 20 5 FEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCOCC1 ZINC000114464200 543518785 /nfs/dbraw/zinc/51/87/85/543518785.db2.gz WIMSSLBHBWLYSN-UHFFFAOYSA-N 0 3 360.414 2.056 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116064206 543597120 /nfs/dbraw/zinc/59/71/20/543597120.db2.gz YOKIRNPAVHOPRI-CQSZACIVSA-N 0 3 371.441 2.442 20 5 FEBDHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118113717 543645437 /nfs/dbraw/zinc/64/54/37/543645437.db2.gz OQBWTMBRQRSMCG-INIZCTEOSA-N 0 3 362.430 2.304 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123304735 543753874 /nfs/dbraw/zinc/75/38/74/543753874.db2.gz IIGJVESXOPEDBE-UHFFFAOYSA-N 0 3 361.489 2.460 20 5 FEBDHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000127980686 544025256 /nfs/dbraw/zinc/02/52/56/544025256.db2.gz JFHXDEHLOIRDOW-ZDUSSCGKSA-N 0 3 372.381 2.137 20 5 FEBDHN COc1cc(OC)cc([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000132512739 544233902 /nfs/dbraw/zinc/23/39/02/544233902.db2.gz RERRAQKNJMRTNI-AWEZNQCLSA-N 0 3 373.409 2.263 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000134913969 544326962 /nfs/dbraw/zinc/32/69/62/544326962.db2.gz GZQVPKQFSQVAIT-ZBFHGGJFSA-N 0 3 371.441 2.306 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000152892205 544707788 /nfs/dbraw/zinc/70/77/88/544707788.db2.gz WRGSEPJRQGGIQE-DGCLKSJQSA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1nn(CCC(=O)N2CCN(C3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000154534825 544918394 /nfs/dbraw/zinc/91/83/94/544918394.db2.gz UKYIYWBRLUDFPP-UHFFFAOYSA-N 0 3 363.462 2.275 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000154694860 544937593 /nfs/dbraw/zinc/93/75/93/544937593.db2.gz WEDGPBWCULNXSF-CJNGLKHVSA-N 0 3 355.460 2.087 20 5 FEBDHN C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000183116904 327802356 /nfs/dbraw/zinc/80/23/56/327802356.db2.gz ZQDDRYALPIZQPX-CYBMUJFWSA-N 0 3 358.398 2.421 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000189190766 328134163 /nfs/dbraw/zinc/13/41/63/328134163.db2.gz MZGVFOWIHGLWOP-FUHWJXTLSA-N 0 3 350.415 2.226 20 5 FEBDHN C[C@@H]1CN(C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000193772370 328394334 /nfs/dbraw/zinc/39/43/34/328394334.db2.gz XEAULKFTNPWRTG-CYBMUJFWSA-N 0 3 364.402 2.188 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000080922833 325147608 /nfs/dbraw/zinc/14/76/08/325147608.db2.gz IMDCTYDADYRUNX-UHFFFAOYSA-N 0 3 359.382 2.075 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000083028692 325211223 /nfs/dbraw/zinc/21/12/23/325211223.db2.gz TYMGRJAVNBZEHR-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090515944 325361790 /nfs/dbraw/zinc/36/17/90/325361790.db2.gz GZQIVJQQRVCIGS-AWEZNQCLSA-N 0 3 368.397 2.030 20 5 FEBDHN CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000091689204 325390018 /nfs/dbraw/zinc/39/00/18/325390018.db2.gz BCPAWCWQRBGIMF-VQFGERMISA-N 0 3 372.469 2.237 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111563417 325724892 /nfs/dbraw/zinc/72/48/92/325724892.db2.gz BNYOKAIUMCXFFW-GFCCVEGCSA-N 0 3 358.398 2.041 20 5 FEBDHN Cc1ccc(C)c(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922444 326042658 /nfs/dbraw/zinc/04/26/58/326042658.db2.gz JYDVYZYODXXTEA-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(C)C ZINC000118099138 326081121 /nfs/dbraw/zinc/08/11/21/326081121.db2.gz UECLLRINUOGLRT-INIZCTEOSA-N 0 3 364.446 2.324 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CCN(C)CC2)c1C ZINC000120349034 326251710 /nfs/dbraw/zinc/25/17/10/326251710.db2.gz GKGQYUAZSQXASY-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674118 326739413 /nfs/dbraw/zinc/73/94/13/326739413.db2.gz DLZYZZWKQQRBMN-GJZGRUSLSA-N 0 3 350.463 2.280 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000157198099 326857827 /nfs/dbraw/zinc/85/78/27/326857827.db2.gz NLLBSNPYFCXNOR-UHFFFAOYSA-N 0 3 358.398 2.087 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000163612788 327055129 /nfs/dbraw/zinc/05/51/29/327055129.db2.gz GPWUFZHDHALEOS-ZBFHGGJFSA-N 0 3 369.487 2.129 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140335 327065196 /nfs/dbraw/zinc/06/51/96/327065196.db2.gz CFYAMMMPWUHJFW-IUODEOHRSA-N 0 3 362.386 2.368 20 5 FEBDHN COCCCN1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000171412614 327138010 /nfs/dbraw/zinc/13/80/10/327138010.db2.gz PVZIUMRBQCGCRR-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN Cc1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000172182145 327185931 /nfs/dbraw/zinc/18/59/31/327185931.db2.gz IKFPEDRKHPCQFQ-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCN(C2CC2)CC1 ZINC000172348163 327197157 /nfs/dbraw/zinc/19/71/57/327197157.db2.gz KCHHMPCDVGGLHT-ZDUSSCGKSA-N 0 3 362.430 2.101 20 5 FEBDHN C[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000173087900 327234491 /nfs/dbraw/zinc/23/44/91/327234491.db2.gz LFQWOPPMQSNSHL-UHFFFAOYSA-N 0 3 361.851 2.258 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)N3C(C)C)cccc1[N+](=O)[O-] ZINC000173282706 327246765 /nfs/dbraw/zinc/24/67/65/327246765.db2.gz LBCSGHNZXHADBY-LSDHHAIUSA-N 0 3 374.441 2.315 20 5 FEBDHN CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295190 327248069 /nfs/dbraw/zinc/24/80/69/327248069.db2.gz UZTLRQJBCXIIKC-BBVFFXRHSA-N 0 3 372.469 2.237 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173630524 327272232 /nfs/dbraw/zinc/27/22/32/327272232.db2.gz RUFGPMMVTRLJOD-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173829701 327287364 /nfs/dbraw/zinc/28/73/64/327287364.db2.gz LAOXYFNAQLSEKK-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000173991365 327300201 /nfs/dbraw/zinc/30/02/01/327300201.db2.gz SWZWARHZFCHOMI-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN C[C@](CO)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000174792516 327351541 /nfs/dbraw/zinc/35/15/41/327351541.db2.gz YYGZXLPMGCWHEW-LJQANCHMSA-N 0 3 361.442 2.405 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CCN(CC)CC2)C1 ZINC000175213142 327380446 /nfs/dbraw/zinc/38/04/46/327380446.db2.gz WCRWCIRJFWKLFR-SFHVURJKSA-N 0 3 362.474 2.205 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264572726 329036998 /nfs/dbraw/zinc/03/69/98/329036998.db2.gz VSCIUEUIMQBMQO-OAHLLOKOSA-N 0 3 372.429 2.148 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264572726 329036999 /nfs/dbraw/zinc/03/69/99/329036999.db2.gz VSCIUEUIMQBMQO-OAHLLOKOSA-N 0 3 372.429 2.148 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265923181 329173052 /nfs/dbraw/zinc/17/30/52/329173052.db2.gz CMQWMXQCIAFSPE-CQSZACIVSA-N 0 3 363.414 2.312 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986803 329179413 /nfs/dbraw/zinc/17/94/13/329179413.db2.gz KVRHHJQCCWMCBM-AAEUAGOBSA-N 0 3 351.403 2.024 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266285562 329207830 /nfs/dbraw/zinc/20/78/30/329207830.db2.gz KPEGGJJRXYLBKA-LBPRGKRZSA-N 0 3 359.423 2.229 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323291 329211608 /nfs/dbraw/zinc/21/16/08/329211608.db2.gz HMPKYTXSZRKTLE-ZDUSSCGKSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323291 329211609 /nfs/dbraw/zinc/21/16/09/329211609.db2.gz HMPKYTXSZRKTLE-ZDUSSCGKSA-N 0 3 357.414 2.363 20 5 FEBDHN CSc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270970223 329650228 /nfs/dbraw/zinc/65/02/28/329650228.db2.gz BRHFYHUSYXHTCT-GXTWGEPZSA-N 0 3 355.485 2.434 20 5 FEBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC000273490021 329868988 /nfs/dbraw/zinc/86/89/88/329868988.db2.gz WOCQNTZHLNXKJC-ARFHVFGLSA-N 0 3 368.455 2.162 20 5 FEBDHN CS[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274706431 329972807 /nfs/dbraw/zinc/97/28/07/329972807.db2.gz WJCXWNQQEAIMQR-MNOVXSKESA-N 0 3 353.473 2.320 20 5 FEBDHN COC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000275764683 330086473 /nfs/dbraw/zinc/08/64/73/330086473.db2.gz UCPFRRREKZIZBK-INIZCTEOSA-N 0 3 356.444 2.163 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000276596590 330168402 /nfs/dbraw/zinc/16/84/02/330168402.db2.gz NSHMPOLZSHPWKV-GFCCVEGCSA-N 0 3 368.865 2.170 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157734912 545774700 /nfs/dbraw/zinc/77/47/00/545774700.db2.gz NNJIRRLODZIWLL-HOTGVXAUSA-N 0 3 369.425 2.445 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157734912 545774705 /nfs/dbraw/zinc/77/47/05/545774705.db2.gz NNJIRRLODZIWLL-HOTGVXAUSA-N 0 3 369.425 2.445 20 5 FEBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000158598012 545875290 /nfs/dbraw/zinc/87/52/90/545875290.db2.gz GBYOAFGCMBDNGX-LBPRGKRZSA-N 0 3 371.434 2.371 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000170809348 546177603 /nfs/dbraw/zinc/17/76/03/546177603.db2.gz CJBKRTMIZYHYOD-CYBMUJFWSA-N 0 3 353.444 2.157 20 5 FEBDHN Cc1c(CNC(=O)NC[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000479687492 561195021 /nfs/dbraw/zinc/19/50/21/561195021.db2.gz FTYJDEBOGARQJL-INIZCTEOSA-N 0 3 352.460 2.140 20 5 FEBDHN COc1ccccc1NC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176207972 546419216 /nfs/dbraw/zinc/41/92/16/546419216.db2.gz IWUHGEDNBCVXDT-UHFFFAOYSA-N 0 3 373.413 2.151 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000176724724 546481062 /nfs/dbraw/zinc/48/10/62/546481062.db2.gz RYTUYUMTQLDJTR-CJNGLKHVSA-N 0 3 371.441 2.420 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3ccncc32)cc1C ZINC000176975805 546516971 /nfs/dbraw/zinc/51/69/71/546516971.db2.gz SSWKQTRLEBAJCX-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177036990 546529612 /nfs/dbraw/zinc/52/96/12/546529612.db2.gz JGVCBHQSYMMFDK-GXTWGEPZSA-N 0 3 355.398 2.136 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000180475508 547114920 /nfs/dbraw/zinc/11/49/20/547114920.db2.gz TXTMPRKBJRQAOS-QGZVFWFLSA-N 0 3 369.421 2.482 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)N2CCCC2)cc1 ZINC000180553738 547129081 /nfs/dbraw/zinc/12/90/81/547129081.db2.gz RKIDZCRQBLKCNB-QGZVFWFLSA-N 0 3 369.425 2.447 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2cccn2)cc1 ZINC000180817952 547185000 /nfs/dbraw/zinc/18/50/00/547185000.db2.gz RVWPFFJGHCKWCO-AWEZNQCLSA-N 0 3 353.382 2.293 20 5 FEBDHN C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000183116877 547604663 /nfs/dbraw/zinc/60/46/63/547604663.db2.gz ZQDDRYALPIZQPX-ZDUSSCGKSA-N 0 3 358.398 2.421 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000183289677 547634109 /nfs/dbraw/zinc/63/41/09/547634109.db2.gz SBTFTBGXMHWYNA-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000183442431 547660393 /nfs/dbraw/zinc/66/03/93/547660393.db2.gz QEAGRZIPURMJAW-QGZVFWFLSA-N 0 3 369.421 2.400 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000184239671 547792358 /nfs/dbraw/zinc/79/23/58/547792358.db2.gz VFNNTRMWRHSXCV-AWEZNQCLSA-N 0 3 355.460 2.136 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184640597 547859730 /nfs/dbraw/zinc/85/97/30/547859730.db2.gz LBIHWAADZUUTFX-OAHLLOKOSA-N 0 3 363.462 2.359 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000485044286 561311265 /nfs/dbraw/zinc/31/12/65/561311265.db2.gz IJDYURHVHPZERN-HNNXBMFYSA-N 0 3 371.393 2.226 20 5 FEBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186327249 548119798 /nfs/dbraw/zinc/11/97/98/548119798.db2.gz HQUILNXDNDEGMS-QGZVFWFLSA-N 0 3 371.441 2.304 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186663801 548168268 /nfs/dbraw/zinc/16/82/68/548168268.db2.gz VCABILPBSGEKOD-ZDUSSCGKSA-N 0 3 362.430 2.222 20 5 FEBDHN CC[C@H]1CN(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487181554 561365528 /nfs/dbraw/zinc/36/55/28/561365528.db2.gz ABDAGANYLHCGAC-SFHVURJKSA-N 0 3 373.457 2.196 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1C ZINC000246540412 549156227 /nfs/dbraw/zinc/15/62/27/549156227.db2.gz CWPYYBONVCZOQR-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246578081 549166632 /nfs/dbraw/zinc/16/66/32/549166632.db2.gz WOCDLBNMJFPINI-KFWWJZLASA-N 0 3 369.487 2.381 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488724854 561395460 /nfs/dbraw/zinc/39/54/60/561395460.db2.gz ZQCOVAQKPRRWNH-KCQAQPDRSA-N 0 3 362.430 2.333 20 5 FEBDHN Cc1c(NC(=O)CCN2CCS[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246789681 549212454 /nfs/dbraw/zinc/21/24/54/549212454.db2.gz ISQIBWOIEZHHKM-CVEARBPZSA-N 0 3 365.455 2.438 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000247335530 549319994 /nfs/dbraw/zinc/31/99/94/549319994.db2.gz HGGGPXOKZYKHJK-AAEUAGOBSA-N 0 3 373.862 2.353 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249331170 549581179 /nfs/dbraw/zinc/58/11/79/549581179.db2.gz HQFYRKKLYUERTR-AWEZNQCLSA-N 0 3 351.447 2.271 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCNC[C@@H]3c3cccnc3)n2)cc1 ZINC000261633906 549737367 /nfs/dbraw/zinc/73/73/67/549737367.db2.gz FBJYFPCFTRFARG-MRXNPFEDSA-N 0 3 366.381 2.186 20 5 FEBDHN CN(CC(=O)Nc1ccc2c(c1F)CCNC2)c1ccccc1[N+](=O)[O-] ZINC000261722379 549748106 /nfs/dbraw/zinc/74/81/06/549748106.db2.gz LTJLYYFNLJJZAN-UHFFFAOYSA-N 0 3 358.373 2.455 20 5 FEBDHN C[C@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000262807108 549851874 /nfs/dbraw/zinc/85/18/74/549851874.db2.gz QHNLSYVOAOXKTE-NXEZZACHSA-N 0 3 356.220 2.109 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147487 550160703 /nfs/dbraw/zinc/16/07/03/550160703.db2.gz QBLHMMYQYJMXBQ-YPMHNXCESA-N 0 3 373.862 2.353 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270572451 550285037 /nfs/dbraw/zinc/28/50/37/550285037.db2.gz ZUDBEZWGEJZSQG-UHFFFAOYSA-N 0 3 374.485 2.154 20 5 FEBDHN COCCCN(C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270791818 550307364 /nfs/dbraw/zinc/30/73/64/550307364.db2.gz KCLDKJKUPQNSGP-UHFFFAOYSA-N 0 3 364.446 2.237 20 5 FEBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCSC1 ZINC000270973604 550327533 /nfs/dbraw/zinc/32/75/33/550327533.db2.gz KDMRQDQKERJDLI-KRWDZBQOSA-N 0 3 360.439 2.310 20 5 FEBDHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272911354 550476549 /nfs/dbraw/zinc/47/65/49/550476549.db2.gz GJGYGZOHPNOABU-CQSZACIVSA-N 0 3 360.366 2.195 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000274934207 550566053 /nfs/dbraw/zinc/56/60/53/550566053.db2.gz OYEUFSCAECNYNE-JFIYKMOQSA-N 0 3 360.414 2.277 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277211073 550644086 /nfs/dbraw/zinc/64/40/86/550644086.db2.gz KPILKOXCSOTTRI-GFCCVEGCSA-N 0 3 354.382 2.356 20 5 FEBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278059486 550744091 /nfs/dbraw/zinc/74/40/91/550744091.db2.gz MVYASPKIMBJYTC-FQEVSTJZSA-N 0 3 353.422 2.136 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCCCN1C1CC1 ZINC000278488971 550791835 /nfs/dbraw/zinc/79/18/35/550791835.db2.gz LAGDADHUJPCOSB-AWEZNQCLSA-N 0 3 372.429 2.287 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](OCc2ccncc2)C1 ZINC000281075439 551060931 /nfs/dbraw/zinc/06/09/31/551060931.db2.gz UBKZRJRZDATZPK-DLBZAZTESA-N 0 3 373.409 2.021 20 5 FEBDHN COc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282965890 551290772 /nfs/dbraw/zinc/29/07/72/551290772.db2.gz YSCGHVIWLYOXFM-PBHICJAKSA-N 0 3 350.415 2.261 20 5 FEBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CN1CCN(C)CC1 ZINC000283672251 551406953 /nfs/dbraw/zinc/40/69/53/551406953.db2.gz FAFARBBPSFIGKP-LBPRGKRZSA-N 0 3 369.853 2.253 20 5 FEBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000498018565 561513907 /nfs/dbraw/zinc/51/39/07/561513907.db2.gz GPSBYKQYKQVAHE-RDJZCZTQSA-N 0 3 371.441 2.475 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217225 561519035 /nfs/dbraw/zinc/51/90/35/561519035.db2.gz VDWSQQXDMNZGLO-VXGBXAGGSA-N 0 3 373.356 2.076 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284353772 551531183 /nfs/dbraw/zinc/53/11/83/551531183.db2.gz SHNUVGJQEIEIJX-LBPRGKRZSA-N 0 3 372.429 2.179 20 5 FEBDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000285256668 551727516 /nfs/dbraw/zinc/72/75/16/551727516.db2.gz XABHGRALVYMFEX-NSHDSACASA-N 0 3 367.402 2.109 20 5 FEBDHN CCOc1ccc(NC(=O)CN2C[C@H](C)N(CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000498928055 561538225 /nfs/dbraw/zinc/53/82/25/561538225.db2.gz HUKGHZMKDQKOHO-UONOGXRCSA-N 0 3 364.446 2.347 20 5 FEBDHN COC(=O)c1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000285875808 551822216 /nfs/dbraw/zinc/82/22/16/551822216.db2.gz QOIGIPQOJQAVAZ-WBMJQRKESA-N 0 3 361.398 2.080 20 5 FEBDHN O=[N+]([O-])c1cccnc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286312649 551872820 /nfs/dbraw/zinc/87/28/20/551872820.db2.gz KIFQYAZUSKNWLP-SFHVURJKSA-N 0 3 367.453 2.386 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394422 551998445 /nfs/dbraw/zinc/99/84/45/551998445.db2.gz YLPAMGUJVUOIHT-KDOFPFPSSA-N 0 3 369.425 2.479 20 5 FEBDHN CCN(CC)CCN(CCOC)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287915824 552062462 /nfs/dbraw/zinc/06/24/62/552062462.db2.gz PZWLLYUEFKAJJL-UHFFFAOYSA-N 0 3 363.418 2.038 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360199 552140187 /nfs/dbraw/zinc/14/01/87/552140187.db2.gz KORMROJYSOSPLV-PWSUYJOCSA-N 0 3 361.427 2.298 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288479710 552160636 /nfs/dbraw/zinc/16/06/36/552160636.db2.gz QXIKOWQBKTWGEI-GOSISDBHSA-N 0 3 355.398 2.056 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499936115 561562208 /nfs/dbraw/zinc/56/22/08/561562208.db2.gz ZOGUUTCJMXAKEP-KRWDZBQOSA-N 0 3 374.441 2.119 20 5 FEBDHN CCOc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000499933970 561562266 /nfs/dbraw/zinc/56/22/66/561562266.db2.gz WPAIDTDCLRYIQT-HNNXBMFYSA-N 0 3 365.430 2.176 20 5 FEBDHN CN(C)[C@@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCSC1 ZINC000500270802 561569285 /nfs/dbraw/zinc/56/92/85/561569285.db2.gz GYDHSESANUCTFS-GFCCVEGCSA-N 0 3 361.265 2.023 20 5 FEBDHN CC(C)(CO)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000289751968 552372405 /nfs/dbraw/zinc/37/24/05/552372405.db2.gz LFDNOSLTYXKMGV-OAHLLOKOSA-N 0 3 351.428 2.167 20 5 FEBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000500412957 561572214 /nfs/dbraw/zinc/57/22/14/561572214.db2.gz FMVGTOWEAPVZIH-QGZVFWFLSA-N 0 3 358.398 2.498 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000290582001 552502152 /nfs/dbraw/zinc/50/21/52/552502152.db2.gz URLWBYMFDMANNE-BBRMVZONSA-N 0 3 374.441 2.181 20 5 FEBDHN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000290753102 552531965 /nfs/dbraw/zinc/53/19/65/552531965.db2.gz JASSRDLVTKWWOC-OAHLLOKOSA-N 0 3 369.425 2.190 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](n2cccn2)C1 ZINC000291775122 552660514 /nfs/dbraw/zinc/66/05/14/552660514.db2.gz LZENOHSQJSHWCI-AWEZNQCLSA-N 0 3 359.386 2.076 20 5 FEBDHN CC(C)[C@@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962704 552775234 /nfs/dbraw/zinc/77/52/34/552775234.db2.gz FVIVYWVQZBEGBX-YJBOKZPZSA-N 0 3 352.431 2.065 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000293501378 552830186 /nfs/dbraw/zinc/83/01/86/552830186.db2.gz XFPBBHQXEARCQT-LJQANCHMSA-N 0 3 374.441 2.040 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000294180949 552888473 /nfs/dbraw/zinc/88/84/73/552888473.db2.gz PAUJUFQVBRBFNU-KRWDZBQOSA-N 0 3 351.378 2.057 20 5 FEBDHN C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN(C2CC2)C1 ZINC000295231994 552973108 /nfs/dbraw/zinc/97/31/08/552973108.db2.gz BSRCVOQFRFSXDY-AWEZNQCLSA-N 0 3 369.425 2.337 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296441291 553160351 /nfs/dbraw/zinc/16/03/51/553160351.db2.gz WOWOPQMYHCNBEA-JCURWCKSSA-N 0 3 361.398 2.089 20 5 FEBDHN CCN1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296554736 553178710 /nfs/dbraw/zinc/17/87/10/553178710.db2.gz PDEJFJSWJROEIS-UHFFFAOYSA-N 0 3 370.457 2.443 20 5 FEBDHN CN(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000297536583 553305645 /nfs/dbraw/zinc/30/56/45/553305645.db2.gz YFKDXRNFAAKYHE-UHFFFAOYSA-N 0 3 366.418 2.380 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572234 553662121 /nfs/dbraw/zinc/66/21/21/553662121.db2.gz LETMUGXUWSEPBU-GUYCJALGSA-N 0 3 369.425 2.411 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301831151 553683283 /nfs/dbraw/zinc/68/32/83/553683283.db2.gz SJZDCHSSXKFTMI-GOSISDBHSA-N 0 3 369.425 2.062 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000319852378 553764340 /nfs/dbraw/zinc/76/43/40/553764340.db2.gz PVNWBVVREQKJBL-NSHDSACASA-N 0 3 359.835 2.201 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(OC)c1 ZINC000505999890 561687159 /nfs/dbraw/zinc/68/71/59/561687159.db2.gz PXOAYADXQQUQSV-OAHLLOKOSA-N 0 3 361.402 2.139 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331892481 554340509 /nfs/dbraw/zinc/34/05/09/554340509.db2.gz FSSAEWGLOBIFCP-GFCCVEGCSA-N 0 3 371.434 2.338 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000332197827 554399490 /nfs/dbraw/zinc/39/94/90/554399490.db2.gz DZHVPOUFNNPTIW-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000332316745 554423989 /nfs/dbraw/zinc/42/39/89/554423989.db2.gz YRBWYCZAVOSLRG-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592789 554478738 /nfs/dbraw/zinc/47/87/38/554478738.db2.gz NYLYZRINDQYGQD-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510521597 561837512 /nfs/dbraw/zinc/83/75/12/561837512.db2.gz IPDWYZNTNUPHBL-SWLSCSKDSA-N 0 3 359.430 2.366 20 5 FEBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000360828286 554891758 /nfs/dbraw/zinc/89/17/58/554891758.db2.gz IUYYTJZEBXFWLX-PBHICJAKSA-N 0 3 361.446 2.085 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853513 554892998 /nfs/dbraw/zinc/89/29/98/554892998.db2.gz YBZJFZAGLISLML-DOTOQJQBSA-N 0 3 360.458 2.001 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391123 554920465 /nfs/dbraw/zinc/92/04/65/554920465.db2.gz IPXCPWFJGUWTBA-IINYFYTJSA-N 0 3 363.443 2.365 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000361832657 554936971 /nfs/dbraw/zinc/93/69/71/554936971.db2.gz YRFANVUYKNYDSL-ZDUSSCGKSA-N 0 3 353.854 2.107 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000363781764 555184762 /nfs/dbraw/zinc/18/47/62/555184762.db2.gz SPGULRQGSYSQIM-AEFFLSMTSA-N 0 3 357.410 2.294 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000363781769 555184853 /nfs/dbraw/zinc/18/48/53/555184853.db2.gz SPGULRQGSYSQIM-FUHWJXTLSA-N 0 3 357.410 2.294 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000363781773 555185020 /nfs/dbraw/zinc/18/50/20/555185020.db2.gz SPGULRQGSYSQIM-WMZOPIPTSA-N 0 3 357.410 2.294 20 5 FEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000364386767 555303733 /nfs/dbraw/zinc/30/37/33/555303733.db2.gz RRKPNOCXHSUATC-ZDUSSCGKSA-N 0 3 363.418 2.108 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364863264 555418369 /nfs/dbraw/zinc/41/83/69/555418369.db2.gz BUHGABHFTJBZNW-ZDUSSCGKSA-N 0 3 354.401 2.478 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(c2ccncc2)CC1 ZINC000364919142 555437907 /nfs/dbraw/zinc/43/79/07/555437907.db2.gz USRCIJONDCZTCC-UHFFFAOYSA-N 0 3 355.398 2.313 20 5 FEBDHN COCCCN1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364938352 555443661 /nfs/dbraw/zinc/44/36/61/555443661.db2.gz GPSJHHLHIMGSAM-AWEZNQCLSA-N 0 3 367.421 2.408 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000364962191 555451092 /nfs/dbraw/zinc/45/10/92/555451092.db2.gz UKWYGHYVAJZMHR-CQSZACIVSA-N 0 3 354.838 2.067 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COCc3cccs3)CC2)n1 ZINC000365128546 555491365 /nfs/dbraw/zinc/49/13/65/555491365.db2.gz ZCHQZBKLJZXBML-CQSZACIVSA-N 0 3 366.443 2.067 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365951748 555709537 /nfs/dbraw/zinc/70/95/37/555709537.db2.gz CRBLDOGBOCSCFC-UHFFFAOYSA-N 0 3 358.402 3.010 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000366650235 555899424 /nfs/dbraw/zinc/89/94/24/555899424.db2.gz FBDBZEGIUPDYHB-LJQANCHMSA-N 0 3 363.458 2.063 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000368095511 556218118 /nfs/dbraw/zinc/21/81/18/556218118.db2.gz QOHZEDMINDWQSP-LJQANCHMSA-N 0 3 355.394 2.226 20 5 FEBDHN COc1ccc(CC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515051480 561993893 /nfs/dbraw/zinc/99/38/93/561993893.db2.gz XHLRYWRKDDLXFM-AWEZNQCLSA-N 0 3 361.442 2.479 20 5 FEBDHN Cn1cc([C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552346 562014970 /nfs/dbraw/zinc/01/49/70/562014970.db2.gz DUCBJDJLQSRJFT-HOTGVXAUSA-N 0 3 374.441 2.194 20 5 FEBDHN Cc1ncc(CN2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976181 556465442 /nfs/dbraw/zinc/46/54/42/556465442.db2.gz UNUVHMLSRLBAAC-FZMZJTMJSA-N 0 3 364.475 2.093 20 5 FEBDHN CCCN1CCN(C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000369156228 556519607 /nfs/dbraw/zinc/51/96/07/556519607.db2.gz NPGYARNFIFEJMQ-UHFFFAOYSA-N 0 3 374.445 2.127 20 5 FEBDHN CN1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253985 556551254 /nfs/dbraw/zinc/55/12/54/556551254.db2.gz JCDBRTFJTNFUMQ-LBPRGKRZSA-N 0 3 366.849 2.147 20 5 FEBDHN CC(C)CN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369309874 556571363 /nfs/dbraw/zinc/57/13/63/556571363.db2.gz IZZRMYATAZICGB-UHFFFAOYSA-N 0 3 363.414 2.170 20 5 FEBDHN Cc1ccccc1NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369833292 556707551 /nfs/dbraw/zinc/70/75/51/556707551.db2.gz JUAUDYCEGDJZHQ-KRWDZBQOSA-N 0 3 359.430 2.037 20 5 FEBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371334869 557151072 /nfs/dbraw/zinc/15/10/72/557151072.db2.gz HKGORJASVHJGPK-OAHLLOKOSA-N 0 3 352.398 2.348 20 5 FEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000371352428 557157102 /nfs/dbraw/zinc/15/71/02/557157102.db2.gz XJSZCBDIEBBTMS-WFASDCNBSA-N 0 3 353.854 2.105 20 5 FEBDHN Cc1cn2c(n1)CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491996 557199276 /nfs/dbraw/zinc/19/92/76/557199276.db2.gz ZRCAUQKUKJZWMS-UONOGXRCSA-N 0 3 357.414 2.340 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NC[C@H]2CCCCN2CC)cc([N+](=O)[O-])c1 ZINC000517641442 562094446 /nfs/dbraw/zinc/09/44/46/562094446.db2.gz PEZLTKFIRDUVDS-OAHLLOKOSA-N 0 3 363.414 2.376 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000371546759 557217161 /nfs/dbraw/zinc/21/71/61/557217161.db2.gz OCOFFPDQKZKLOO-KDOFPFPSSA-N 0 3 358.442 2.361 20 5 FEBDHN CN1CCC(Oc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000371694526 557266044 /nfs/dbraw/zinc/26/60/44/557266044.db2.gz UEWFKROAHFFYIS-UHFFFAOYSA-N 0 3 357.370 2.110 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c(C)cc1[N+](=O)[O-] ZINC000518342610 562109093 /nfs/dbraw/zinc/10/90/93/562109093.db2.gz ADLKNZQIXPODFU-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C1CCN(C)CC1 ZINC000373165928 557642205 /nfs/dbraw/zinc/64/22/05/557642205.db2.gz KCSBVIYWSYSSMY-LBPRGKRZSA-N 0 3 353.854 2.248 20 5 FEBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520009996 562148630 /nfs/dbraw/zinc/14/86/30/562148630.db2.gz CUVRGAANVSAUAC-JTQLQIEISA-N 0 3 356.810 2.033 20 5 FEBDHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281153 557664591 /nfs/dbraw/zinc/66/45/91/557664591.db2.gz ONQFPZHENBSXOJ-BDJLRTHQSA-N 0 3 366.805 2.058 20 5 FEBDHN O=C1NC2(CCCCC2)C(=O)N1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000373941396 557792630 /nfs/dbraw/zinc/79/26/30/557792630.db2.gz LKTAEWLKQVRNID-UHFFFAOYSA-N 0 3 360.414 2.329 20 5 FEBDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609945 557906448 /nfs/dbraw/zinc/90/64/48/557906448.db2.gz HCQMKZQUFXNEIG-SJORKVTESA-N 0 3 360.414 2.306 20 5 FEBDHN CCN1CCC(N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C2CC2)CC1 ZINC000374823292 557936661 /nfs/dbraw/zinc/93/66/61/557936661.db2.gz KSNYHGFSUUQQLD-UHFFFAOYSA-N 0 3 350.394 2.405 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1c1cccnc1 ZINC000374854734 557941156 /nfs/dbraw/zinc/94/11/56/557941156.db2.gz IUWOBJZOFYEIHC-SJCJKPOMSA-N 0 3 373.388 2.134 20 5 FEBDHN Cc1c([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cccc1[N+](=O)[O-] ZINC000375501786 558038792 /nfs/dbraw/zinc/03/87/92/558038792.db2.gz HDJCIBIABCEOSZ-RVZJWNSFSA-N 0 3 357.414 2.307 20 5 FEBDHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000375517746 558041886 /nfs/dbraw/zinc/04/18/86/558041886.db2.gz ZTRXUCDSZPCITR-FRQCXROJSA-N 0 3 369.425 2.315 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899475 558096084 /nfs/dbraw/zinc/09/60/84/558096084.db2.gz CDRNNLYOTYFFLN-KRWDZBQOSA-N 0 3 350.438 2.334 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377481873 558348314 /nfs/dbraw/zinc/34/83/14/558348314.db2.gz PMBJJAAMMMWKCR-CFVMTHIKSA-N 0 3 365.455 2.055 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N(C)C ZINC000523699682 562218090 /nfs/dbraw/zinc/21/80/90/562218090.db2.gz BBXQEQGJODBDCI-ZDUSSCGKSA-N 0 3 351.403 2.072 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408466640 558680333 /nfs/dbraw/zinc/68/03/33/558680333.db2.gz MOPKIUOQTJEGTG-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000524872543 562236552 /nfs/dbraw/zinc/23/65/52/562236552.db2.gz NOTFPRMCYJNFNF-CHWSQXEVSA-N 0 3 371.459 2.097 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCC[C@H](C)C2)c1F ZINC000411419117 558891544 /nfs/dbraw/zinc/89/15/44/558891544.db2.gz SDFSNNAWYQEOMV-LBPRGKRZSA-N 0 3 353.394 2.133 20 5 FEBDHN Cc1c([C@H]2OCC[C@@H]2NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000411578176 558921534 /nfs/dbraw/zinc/92/15/34/558921534.db2.gz RQJNVQQNLNJTAM-FUHWJXTLSA-N 0 3 373.413 2.085 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1N(C)C ZINC000412218621 559020792 /nfs/dbraw/zinc/02/07/92/559020792.db2.gz RXVOKCSCBGCUKI-ZBFHGGJFSA-N 0 3 367.471 2.500 20 5 FEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000412561488 559043266 /nfs/dbraw/zinc/04/32/66/559043266.db2.gz FAORRFSIMPZYCZ-UHFFFAOYSA-N 0 3 362.386 2.135 20 5 FEBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413091893 559077213 /nfs/dbraw/zinc/07/72/13/559077213.db2.gz LIBOEBDNLVBAAV-UHFFFAOYSA-N 0 3 361.368 2.447 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414522275 559169857 /nfs/dbraw/zinc/16/98/57/559169857.db2.gz GMKMPYPZGARXHX-LBPRGKRZSA-N 0 3 352.387 2.194 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415838044 559277036 /nfs/dbraw/zinc/27/70/36/559277036.db2.gz LDWPOLXTYZDMNH-MRXNPFEDSA-N 0 3 370.409 2.220 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c1C ZINC000416552739 559321428 /nfs/dbraw/zinc/32/14/28/559321428.db2.gz HYWUPNNXQGCNBF-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)cc1C ZINC000416557504 559321648 /nfs/dbraw/zinc/32/16/48/559321648.db2.gz GYKKLKJMPDPPPB-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419991723 559468089 /nfs/dbraw/zinc/46/80/89/559468089.db2.gz HCVQVULTFJFLKX-AWEZNQCLSA-N 0 3 363.336 2.046 20 5 FEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1 ZINC000420449218 559487873 /nfs/dbraw/zinc/48/78/73/559487873.db2.gz NJMOWILSTHSAFW-SNVBAGLBSA-N 0 3 367.349 2.034 20 5 FEBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420478630 559489660 /nfs/dbraw/zinc/48/96/60/559489660.db2.gz XKVICNCJOWBVBV-WPRPVWTQSA-N 0 3 367.349 2.032 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](O)CC12CCC2 ZINC000420989642 559518079 /nfs/dbraw/zinc/51/80/79/559518079.db2.gz CNNXMTHNXHQPHD-AWEZNQCLSA-N 0 3 361.398 2.272 20 5 FEBDHN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](N)c1ccccc1 ZINC000423821829 559640903 /nfs/dbraw/zinc/64/09/03/559640903.db2.gz FEEMBGWESLBWAT-DYVFJYSZSA-N 0 3 357.414 2.291 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423938581 559647115 /nfs/dbraw/zinc/64/71/15/559647115.db2.gz JKPYMUGVNSQNQX-KRWDZBQOSA-N 0 3 371.393 2.374 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1 ZINC000424012758 559650945 /nfs/dbraw/zinc/65/09/45/559650945.db2.gz POAGNPZIRQPSDC-JKSUJKDBSA-N 0 3 359.357 2.309 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](c4nnc[n-]4)C3)o2)c1 ZINC000425542365 559708693 /nfs/dbraw/zinc/70/86/93/559708693.db2.gz HHXNUKXLKDPJPY-ZDUSSCGKSA-N 0 3 354.370 2.400 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](c4nnc[n-]4)C3)o2)c1 ZINC000425542365 559708694 /nfs/dbraw/zinc/70/86/94/559708694.db2.gz HHXNUKXLKDPJPY-ZDUSSCGKSA-N 0 3 354.370 2.400 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000433293705 559875944 /nfs/dbraw/zinc/87/59/44/559875944.db2.gz HDDOCLWQMASEFK-GOSISDBHSA-N 0 3 357.410 2.250 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109468 560044281 /nfs/dbraw/zinc/04/42/81/560044281.db2.gz IOOCZSWKMQCUGI-MGPQQGTHSA-N 0 3 355.460 2.240 20 5 FEBDHN CCO[C@@H]1C[C@@](CO)(NCCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799692 560121197 /nfs/dbraw/zinc/12/11/97/560121197.db2.gz IHLZCTLFQUCWAD-AEFFLSMTSA-N 0 3 368.430 2.138 20 5 FEBDHN CCc1nn(C)c(OC)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589601 560165025 /nfs/dbraw/zinc/16/50/25/560165025.db2.gz YMENMVBREDUYDI-HUUCEWRRSA-N 0 3 362.434 2.369 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000448259691 560182111 /nfs/dbraw/zinc/18/21/11/560182111.db2.gz GGGNCHWQTOKDSW-HNNXBMFYSA-N 0 3 374.445 2.391 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448925308 560207143 /nfs/dbraw/zinc/20/71/43/560207143.db2.gz NKSVHOZBHIYGCG-NSHDSACASA-N 0 3 351.378 2.489 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448958666 560208840 /nfs/dbraw/zinc/20/88/40/560208840.db2.gz ZPFDMFPLEWRHEO-HNNXBMFYSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931149 560245725 /nfs/dbraw/zinc/24/57/25/560245725.db2.gz NWWPSJHCIVUFDP-UKRRQHHQSA-N 0 3 357.414 2.193 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450317377 560258476 /nfs/dbraw/zinc/25/84/76/560258476.db2.gz KFUXGYLGYJQRPK-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409269 560305215 /nfs/dbraw/zinc/30/52/15/560305215.db2.gz AESAEOUJQDVBCI-NUJGCVRESA-N 0 3 359.426 2.109 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500577 560310624 /nfs/dbraw/zinc/31/06/24/560310624.db2.gz OKVROCVJWRTZBR-GJZGRUSLSA-N 0 3 351.403 2.335 20 5 FEBDHN COC[C@H](C)OC[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549632 560314187 /nfs/dbraw/zinc/31/41/87/560314187.db2.gz PTJLHMAHDHFRHT-ZVZYQTTQSA-N 0 3 352.431 2.187 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598126 560316718 /nfs/dbraw/zinc/31/67/18/560316718.db2.gz NZBFHCYWRSPRFH-RDTXWAMCSA-N 0 3 367.446 2.421 20 5 FEBDHN CC(C)[C@H](CO)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451601262 560316942 /nfs/dbraw/zinc/31/69/42/560316942.db2.gz ULJPJDWUKWWMGU-IRXDYDNUSA-N 0 3 372.487 2.247 20 5 FEBDHN COCCN(C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454448140 560444917 /nfs/dbraw/zinc/44/49/17/560444917.db2.gz WIUDTHIGSPOCLF-INIZCTEOSA-N 0 3 364.446 2.062 20 5 FEBDHN CNc1nc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000455103083 560470161 /nfs/dbraw/zinc/47/01/61/560470161.db2.gz QOAHHAKEHHPFHK-MRXNPFEDSA-N 0 3 357.414 2.373 20 5 FEBDHN CNc1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456055700 560505679 /nfs/dbraw/zinc/50/56/79/560505679.db2.gz TVXGZIKUWWYWMO-ZFWWWQNUSA-N 0 3 369.425 2.424 20 5 FEBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000456704345 560529793 /nfs/dbraw/zinc/52/97/93/560529793.db2.gz XVZBCNFPSXLCDY-UHFFFAOYSA-N 0 3 351.451 2.150 20 5 FEBDHN CCN1CCN(CC(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000456907546 560537180 /nfs/dbraw/zinc/53/71/80/560537180.db2.gz VWSYJEQKRZREGG-UHFFFAOYSA-N 0 3 362.474 2.060 20 5 FEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457036724 560545156 /nfs/dbraw/zinc/54/51/56/560545156.db2.gz AJSAJAGFOJUDCT-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458728036 560644167 /nfs/dbraw/zinc/64/41/67/560644167.db2.gz QJELZWLFSRVBTH-GJZGRUSLSA-N 0 3 364.446 2.456 20 5 FEBDHN O=C1[C@H](N2CC3(CCC3)[C@H]3COC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656447 560700489 /nfs/dbraw/zinc/70/04/89/560700489.db2.gz DXGJWKZQNVZBEO-BBWFWOEESA-N 0 3 357.410 2.201 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750866 560706248 /nfs/dbraw/zinc/70/62/48/560706248.db2.gz HSGUCAKBYGOPTQ-CVEARBPZSA-N 0 3 363.414 2.479 20 5 FEBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000462414281 560809154 /nfs/dbraw/zinc/80/91/54/560809154.db2.gz ZXLMZFUXCAANCU-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2COCC[C@H]21 ZINC000464858491 560853613 /nfs/dbraw/zinc/85/36/13/560853613.db2.gz WWJBHZTULRILPL-CZUORRHYSA-N 0 3 363.414 2.433 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984004 560877638 /nfs/dbraw/zinc/87/76/38/560877638.db2.gz RVISQRFZJPNVPE-GJZGRUSLSA-N 0 3 363.462 2.487 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716786 560915637 /nfs/dbraw/zinc/91/56/37/560915637.db2.gz VGJAFSZZJZWXEX-YVEFUNNKSA-N 0 3 369.425 2.208 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000470063885 560973172 /nfs/dbraw/zinc/97/31/72/560973172.db2.gz AQEBAJFWKMJMNL-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470151121 560975610 /nfs/dbraw/zinc/97/56/10/560975610.db2.gz ZMMMDXXGPFBRKG-ZDUSSCGKSA-N 0 3 367.425 2.129 20 5 FEBDHN Cc1nn(CCC(=O)NCCN2CCCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000470302312 560978238 /nfs/dbraw/zinc/97/82/38/560978238.db2.gz LBWKNYVCQVNKMY-UHFFFAOYSA-N 0 3 351.451 2.036 20 5 FEBDHN CNC(=O)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603153 561030728 /nfs/dbraw/zinc/03/07/28/561030728.db2.gz CDFYDYWQOPTZEY-JKSUJKDBSA-N 0 3 357.414 2.424 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472628788 561031365 /nfs/dbraw/zinc/03/13/65/561031365.db2.gz JTUZZHJKRVVYOK-AWEZNQCLSA-N 0 3 366.393 2.053 20 5 FEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476156879 561112176 /nfs/dbraw/zinc/11/21/76/561112176.db2.gz QPBXBSDXLXABLF-ZDUSSCGKSA-N 0 3 357.414 2.284 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370379 598469162 /nfs/dbraw/zinc/46/91/62/598469162.db2.gz PGMLXTXPWDSNDY-AWEZNQCLSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370379 598469163 /nfs/dbraw/zinc/46/91/63/598469163.db2.gz PGMLXTXPWDSNDY-AWEZNQCLSA-N 0 3 357.418 2.230 20 5 FEBDHN COC(=O)c1cc(C)nc(NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000557674999 674460498 /nfs/dbraw/zinc/46/04/98/674460498.db2.gz DNVAOWHUEXSFFP-UHFFFAOYSA-N 0 3 350.419 2.619 20 5 FEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000809968517 674522682 /nfs/dbraw/zinc/52/26/82/674522682.db2.gz DDMRAAXQDXHWQY-KRWDZBQOSA-N 0 3 352.410 2.335 20 5 FEBDHN CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000886 606224493 /nfs/dbraw/zinc/22/44/93/606224493.db2.gz KXJSUPHBZCBIBA-JSGCOSHPSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000886 606224495 /nfs/dbraw/zinc/22/44/95/606224495.db2.gz KXJSUPHBZCBIBA-JSGCOSHPSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000886 606224497 /nfs/dbraw/zinc/22/44/97/606224497.db2.gz KXJSUPHBZCBIBA-JSGCOSHPSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000886 606224498 /nfs/dbraw/zinc/22/44/98/606224498.db2.gz KXJSUPHBZCBIBA-JSGCOSHPSA-N 0 3 357.418 2.228 20 5 FEBDHN CC(COC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[N+](=O)[O-] ZINC000813104211 674719499 /nfs/dbraw/zinc/71/94/99/674719499.db2.gz YAVOYDRKCVQAPF-VIFPVBQESA-N 0 3 350.352 2.290 20 5 FEBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813105183 674719794 /nfs/dbraw/zinc/71/97/94/674719794.db2.gz WQDFKBMHNLAAGU-CABZTGNLSA-N 0 3 358.803 2.064 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[N+](=O)[O-] ZINC000813103081 674719362 /nfs/dbraw/zinc/71/93/62/674719362.db2.gz NBEGELGQCZJEGJ-CHWSQXEVSA-N 0 3 370.427 2.072 20 5 FEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Br)c1 ZINC000813113659 674721100 /nfs/dbraw/zinc/72/11/00/674721100.db2.gz SDRLKGCRQCMHKE-MRVPVSSYSA-N 0 3 369.175 2.160 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430997 674744509 /nfs/dbraw/zinc/74/45/09/674744509.db2.gz YXHKXLRBUOMMDD-WDEREUQCSA-N 0 3 374.224 2.495 20 5 FEBDHN Cc1nc(C)c(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000563952700 674957762 /nfs/dbraw/zinc/95/77/62/674957762.db2.gz QJBAQATVJIWFOZ-UHFFFAOYSA-N 0 3 369.468 2.274 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000564353312 674999654 /nfs/dbraw/zinc/99/96/54/674999654.db2.gz ACPCRNHGBYLASD-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN CC(COC(=O)c1ccn(-c2ccc(Br)cc2)n1)[N+](=O)[O-] ZINC000816092171 675010858 /nfs/dbraw/zinc/01/08/58/675010858.db2.gz VFSQIRFODQCLEY-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3cc(F)ccc3Cl)C[C@H]2C1 ZINC001048814538 675015470 /nfs/dbraw/zinc/01/54/70/675015470.db2.gz QOPIEDPCPOINNV-FAXLKDOZSA-N 0 3 367.808 2.035 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1CCOC ZINC000565922589 675161217 /nfs/dbraw/zinc/16/12/17/675161217.db2.gz MAXDQCFRJXXJHI-HNNXBMFYSA-N 0 3 350.419 2.390 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000578063971 671637709 /nfs/dbraw/zinc/63/77/09/671637709.db2.gz LGLMZLMBGREBQR-LSDHHAIUSA-N 0 3 369.487 2.079 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000610135257 675956201 /nfs/dbraw/zinc/95/62/01/675956201.db2.gz NXGHOGJUBHNIIG-OLZOCXBDSA-N 0 3 371.459 2.097 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H](O)C2CC2)c1 ZINC000583173232 672070241 /nfs/dbraw/zinc/07/02/41/672070241.db2.gz YAMBGVSBXZMOHH-GFCCVEGCSA-N 0 3 362.167 2.060 20 5 FEBDHN COCCN1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000587971918 672442952 /nfs/dbraw/zinc/44/29/52/672442952.db2.gz ICQDJAIRMXRNMU-CYBMUJFWSA-N 0 3 351.403 2.213 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000590444958 672583335 /nfs/dbraw/zinc/58/33/35/672583335.db2.gz OLQDDGVOEWUURK-ZANVPECISA-N 0 3 354.204 2.133 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193907681 672740725 /nfs/dbraw/zinc/74/07/25/672740725.db2.gz NLLBXLKLPNNAFG-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN COc1cc(CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595618316 673274246 /nfs/dbraw/zinc/27/42/46/673274246.db2.gz XDQRTMGHAAJNQR-LBPRGKRZSA-N 0 3 360.357 2.498 20 5 FEBDHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOCC1 ZINC000595876312 673333434 /nfs/dbraw/zinc/33/34/34/673333434.db2.gz BSLLRQFUYOBDCA-UHFFFAOYSA-N 0 3 352.387 2.195 20 5 FEBDHN CS[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000597101432 673448077 /nfs/dbraw/zinc/44/80/77/673448077.db2.gz QMPRYGIXMWTKMY-VXGBXAGGSA-N 0 3 373.866 2.340 20 5 FEBDHN COc1cc(CN[C@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597191776 673455655 /nfs/dbraw/zinc/45/56/55/673455655.db2.gz GYXURAKNSQADOV-SNVBAGLBSA-N 0 3 360.357 2.498 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072598 673631348 /nfs/dbraw/zinc/63/13/48/673631348.db2.gz KEUMPOSVASZSPY-DAXOMENPSA-N 0 3 355.460 2.414 20 5 FEBDHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106544 673633773 /nfs/dbraw/zinc/63/37/73/673633773.db2.gz VEVPHYPNOWWLEN-RKDXNWHRSA-N 0 3 367.349 2.032 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000599389855 673668024 /nfs/dbraw/zinc/66/80/24/673668024.db2.gz DJWJWEKXEWOBFX-QGZVFWFLSA-N 0 3 367.471 2.421 20 5 FEBDHN COC(=O)CCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000743871452 673774462 /nfs/dbraw/zinc/77/44/62/673774462.db2.gz FWLXLDAIIGIHLL-UHFFFAOYSA-N 0 3 352.387 2.148 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000601347355 673846259 /nfs/dbraw/zinc/84/62/59/673846259.db2.gz IYCNXGPNKRFZNQ-GFCCVEGCSA-N 0 3 359.423 2.005 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372044 673850055 /nfs/dbraw/zinc/85/00/55/673850055.db2.gz QMEMYIPOGBKCOP-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601387267 673853407 /nfs/dbraw/zinc/85/34/07/673853407.db2.gz RQFNNJOTMSONGY-GFCCVEGCSA-N 0 3 373.450 2.393 20 5 FEBDHN Cn1cnc(CCCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602701419 673910048 /nfs/dbraw/zinc/91/00/48/673910048.db2.gz RQNAGPOYFKMCCS-UHFFFAOYSA-N 0 3 360.237 2.270 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818943520 675244682 /nfs/dbraw/zinc/24/46/82/675244682.db2.gz BGOMVXZUHUGFHW-UHFFFAOYSA-N 0 3 369.784 2.327 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCCS(=O)(=O)c2ccccc2)c1 ZINC000818981891 675249335 /nfs/dbraw/zinc/24/93/35/675249335.db2.gz XXEVKQAMIMZBDY-KRWDZBQOSA-N 0 3 364.423 2.082 20 5 FEBDHN C[C@@H](NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000819207543 675269803 /nfs/dbraw/zinc/26/98/03/675269803.db2.gz MZRXQBSQFISEMX-OLZOCXBDSA-N 0 3 353.419 2.473 20 5 FEBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000603956032 675802257 /nfs/dbraw/zinc/80/22/57/675802257.db2.gz WNTGTVQCIPSGOR-UHFFFAOYSA-N 0 3 359.423 2.277 20 5 FEBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000619487135 676380304 /nfs/dbraw/zinc/38/03/04/676380304.db2.gz DRZOKYPUWQYDNI-ZDUSSCGKSA-N 0 3 371.459 2.098 20 5 FEBDHN CS(=O)(=O)NC1CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000619748018 676393042 /nfs/dbraw/zinc/39/30/42/676393042.db2.gz RDPIOGLYTXUWRR-UHFFFAOYSA-N 0 3 365.411 2.025 20 5 FEBDHN COc1cccc(CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000830313894 677034118 /nfs/dbraw/zinc/03/41/18/677034118.db2.gz RLXOLKDMNQQXCO-UHFFFAOYSA-N 0 3 351.447 2.421 20 5 FEBDHN NCc1cn([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099372 680863374 /nfs/dbraw/zinc/86/33/74/680863374.db2.gz JAIFELFQBKFQSF-CQSZACIVSA-N 0 3 350.810 2.136 20 5 FEBDHN CN(Cc1c(F)cccc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432259 680447613 /nfs/dbraw/zinc/44/76/13/680447613.db2.gz YCUVOYDIBLDYSX-MLGOLLRUSA-N 0 3 353.369 2.053 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836699344 680501587 /nfs/dbraw/zinc/50/15/87/680501587.db2.gz WTRZKZFDJWBTIZ-CYBMUJFWSA-N 0 3 368.865 2.312 20 5 FEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000843820318 681020257 /nfs/dbraw/zinc/02/02/57/681020257.db2.gz RIDWXHJVDHUVCT-CYBMUJFWSA-N 0 3 351.378 2.025 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771036683 681038204 /nfs/dbraw/zinc/03/82/04/681038204.db2.gz BJDXXIIGSRSLEN-GFCCVEGCSA-N 0 3 353.806 2.231 20 5 FEBDHN Cc1cc(F)cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000771582254 681060720 /nfs/dbraw/zinc/06/07/20/681060720.db2.gz LKJWMYYEKWFDIA-CQSZACIVSA-N 0 3 351.378 2.025 20 5 FEBDHN C[C@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCCC1 ZINC000847960261 681456238 /nfs/dbraw/zinc/45/62/38/681456238.db2.gz ZWBIEQKYOMDYNJ-GFCCVEGCSA-N 0 3 350.371 2.397 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934337743 681554877 /nfs/dbraw/zinc/55/48/77/681554877.db2.gz USASEVHNFQOTJS-ZFWWWQNUSA-N 0 3 363.439 2.356 20 5 FEBDHN COc1cc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000853918770 682488831 /nfs/dbraw/zinc/48/88/31/682488831.db2.gz OXOYPHOMZLCPQS-ZDUSSCGKSA-N 0 3 351.403 2.277 20 5 FEBDHN CC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224176 683323451 /nfs/dbraw/zinc/32/34/51/683323451.db2.gz HQHRDPQFWYTGIO-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224176 683323457 /nfs/dbraw/zinc/32/34/57/683323457.db2.gz HQHRDPQFWYTGIO-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224704 683324102 /nfs/dbraw/zinc/32/41/02/683324102.db2.gz RBUSIOWTLOKGIC-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224704 683324105 /nfs/dbraw/zinc/32/41/05/683324105.db2.gz RBUSIOWTLOKGIC-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342956 683392587 /nfs/dbraw/zinc/39/25/87/683392587.db2.gz FQCPLQKAGJZDHP-DYVFJYSZSA-N 0 3 351.403 2.049 20 5 FEBDHN CCCS(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000922573110 683747923 /nfs/dbraw/zinc/74/79/23/683747923.db2.gz QLBQAXKPIJBNPJ-UHFFFAOYSA-N 0 3 359.423 2.028 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869778818 684654625 /nfs/dbraw/zinc/65/46/25/684654625.db2.gz KKOMEQGXCRJPGE-LBPRGKRZSA-N 0 3 367.471 2.282 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478653 687643491 /nfs/dbraw/zinc/64/34/91/687643491.db2.gz SOLBBIKELWHVRZ-UHFFFAOYSA-N 0 3 359.835 2.155 20 5 FEBDHN C[C@H](N[C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853091 691183077 /nfs/dbraw/zinc/18/30/77/691183077.db2.gz PBXLLIYFAATQDU-NOLJZWGESA-N 0 3 364.471 2.091 20 5 FEBDHN C[C@H](CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000907457476 691487999 /nfs/dbraw/zinc/48/79/99/691487999.db2.gz QGLOCITZTRNJAU-PBHICJAKSA-N 0 3 367.471 2.104 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000032732350 539949963 /nfs/dbraw/zinc/94/99/63/539949963.db2.gz USFVDQUIQVHMJL-STQMWFEESA-N 0 3 363.414 2.374 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1C ZINC000046036523 540238552 /nfs/dbraw/zinc/23/85/52/540238552.db2.gz LJAQDDOLCCSSBW-LSDHHAIUSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000055245951 540639933 /nfs/dbraw/zinc/63/99/33/540639933.db2.gz UEPRSPNVYRLXAW-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000058737357 540854789 /nfs/dbraw/zinc/85/47/89/540854789.db2.gz BPZHLDUHWNFHNE-UHFFFAOYSA-N 0 3 370.365 2.317 20 5 FEBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000065478382 541240633 /nfs/dbraw/zinc/24/06/33/541240633.db2.gz YJBHJCZKBABYIJ-HNNXBMFYSA-N 0 3 363.462 2.426 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000065844114 541266289 /nfs/dbraw/zinc/26/62/89/541266289.db2.gz OYCJGOBAYUYOTE-UHFFFAOYSA-N 0 3 371.441 2.143 20 5 FEBDHN CC(C)N1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066284303 541297876 /nfs/dbraw/zinc/29/78/76/541297876.db2.gz QRLWPWWQGGRESO-UHFFFAOYSA-N 0 3 363.414 2.311 20 5 FEBDHN CCN1CCN(C(=O)CC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000066568144 541338036 /nfs/dbraw/zinc/33/80/36/541338036.db2.gz CCOUQDNKVYTZJP-UHFFFAOYSA-N 0 3 374.485 2.361 20 5 FEBDHN CCc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000066587012 541341314 /nfs/dbraw/zinc/34/13/14/541341314.db2.gz ZAFAKIAFHCZUQK-UHFFFAOYSA-N 0 3 369.468 2.287 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000068130480 541553490 /nfs/dbraw/zinc/55/34/90/541553490.db2.gz ZHJFKVCJAWKCGE-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CCCN(C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000068800864 541629821 /nfs/dbraw/zinc/62/98/21/541629821.db2.gz ZUHGANOWNXEUJJ-UHFFFAOYSA-N 0 3 363.414 2.328 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000068902956 541639529 /nfs/dbraw/zinc/63/95/29/541639529.db2.gz NGGCQPQVDPSINJ-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000069149022 541663083 /nfs/dbraw/zinc/66/30/83/541663083.db2.gz NYIAWQZTMADINA-INIZCTEOSA-N 0 3 362.430 2.243 20 5 FEBDHN Cc1cc(C(=O)Nc2cnn(CCN3CCCCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000089433055 542763193 /nfs/dbraw/zinc/76/31/93/542763193.db2.gz TXNXVIVBGFTYKO-UHFFFAOYSA-N 0 3 372.429 2.420 20 5 FEBDHN CCOC(=O)c1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603540 542766372 /nfs/dbraw/zinc/76/63/72/542766372.db2.gz JFLDXGCYQHNBFE-HNNXBMFYSA-N 0 3 363.414 2.437 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000094134872 542954279 /nfs/dbraw/zinc/95/42/79/542954279.db2.gz XEWUPDMIWRTOBO-ZDUSSCGKSA-N 0 3 362.474 2.133 20 5 FEBDHN Cn1cc(CNCCSCCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105643286 543178470 /nfs/dbraw/zinc/17/84/70/543178470.db2.gz YVZWGFCSKGWBRL-UHFFFAOYSA-N 0 3 350.444 2.201 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)cc1OC ZINC000108340723 543286954 /nfs/dbraw/zinc/28/69/54/543286954.db2.gz JQCCICKKCSXBDQ-LBPRGKRZSA-N 0 3 351.403 2.074 20 5 FEBDHN O=C(CCN1CCC[C@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111293085 543393679 /nfs/dbraw/zinc/39/36/79/543393679.db2.gz GPJJIJVYLBTISM-INIZCTEOSA-N 0 3 360.414 2.010 20 5 FEBDHN CCCCN(C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112310528 543441202 /nfs/dbraw/zinc/44/12/02/543441202.db2.gz TVSBJEPLOLTROV-UHFFFAOYSA-N 0 3 359.430 2.457 20 5 FEBDHN CCCCN(C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000112465103 543448169 /nfs/dbraw/zinc/44/81/69/543448169.db2.gz CPEYMCHJPSICGI-UHFFFAOYSA-N 0 3 363.462 2.158 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000112620157 543454079 /nfs/dbraw/zinc/45/40/79/543454079.db2.gz IMXDSWAMDMKACH-ZDUSSCGKSA-N 0 3 363.414 2.360 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113198864 543476852 /nfs/dbraw/zinc/47/68/52/543476852.db2.gz WINARWXCJPFDOL-OAHLLOKOSA-N 0 3 363.414 2.167 20 5 FEBDHN CCN1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114378674 543511949 /nfs/dbraw/zinc/51/19/49/543511949.db2.gz OZKAAGYHPNWXHM-JXMROGBWSA-N 0 3 360.458 2.142 20 5 FEBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)c(Cl)c1 ZINC000114450821 543516499 /nfs/dbraw/zinc/51/64/99/543516499.db2.gz LTRMARKHJRBDEU-UHFFFAOYSA-N 0 3 356.854 2.050 20 5 FEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000115442033 543567638 /nfs/dbraw/zinc/56/76/38/543567638.db2.gz CFVFEHJHDWZEKO-LBPRGKRZSA-N 0 3 351.403 2.026 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC/C=C/c1ccccc1 ZINC000116922399 543619951 /nfs/dbraw/zinc/61/99/51/543619951.db2.gz YABVVYGRTHJQDN-RMKNXTFCSA-N 0 3 361.423 2.176 20 5 FEBDHN CN(C)CCn1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000124132835 543802748 /nfs/dbraw/zinc/80/27/48/543802748.db2.gz UFFSQNXRGOGJPM-UHFFFAOYSA-N 0 3 356.386 2.015 20 5 FEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124291537 543812024 /nfs/dbraw/zinc/81/20/24/543812024.db2.gz ZFXSQPMWJBTDTI-UHFFFAOYSA-N 0 3 351.447 2.264 20 5 FEBDHN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000124934370 543851908 /nfs/dbraw/zinc/85/19/08/543851908.db2.gz YEVFPEKCILKMNC-ABAIWWIYSA-N 0 3 354.370 2.391 20 5 FEBDHN Cc1c(CC(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128776777 544072304 /nfs/dbraw/zinc/07/23/04/544072304.db2.gz IIGARWPYUJGLJG-HUUCEWRRSA-N 0 3 363.458 2.451 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000130641294 544158986 /nfs/dbraw/zinc/15/89/86/544158986.db2.gz INVRBEHLYQWUNK-KGLIPLIRSA-N 0 3 355.460 2.135 20 5 FEBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000131964078 544213581 /nfs/dbraw/zinc/21/35/81/544213581.db2.gz VRDHAHBGKBJOTD-NSHDSACASA-N 0 3 371.426 2.232 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136031348 544365117 /nfs/dbraw/zinc/36/51/17/544365117.db2.gz OFEOIFYGYHJDSG-CQSZACIVSA-N 0 3 357.414 2.242 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](N2CCCC2)C1 ZINC000136996052 544382224 /nfs/dbraw/zinc/38/22/24/544382224.db2.gz MULYMRUAFIBWJO-HNNXBMFYSA-N 0 3 369.425 2.481 20 5 FEBDHN O=C(CCN1CCN(c2ccncc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000151338509 544530070 /nfs/dbraw/zinc/53/00/70/544530070.db2.gz FKJNLWQFUCYCPR-UHFFFAOYSA-N 0 3 355.398 2.141 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000184320639 327861913 /nfs/dbraw/zinc/86/19/13/327861913.db2.gz QKAHODKEMXEJGJ-AWEZNQCLSA-N 0 3 355.460 2.135 20 5 FEBDHN COC(=O)C[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189252697 328137469 /nfs/dbraw/zinc/13/74/69/328137469.db2.gz OULRFNLGOQVZNP-NSHDSACASA-N 0 3 353.350 2.090 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000189396281 328145321 /nfs/dbraw/zinc/14/53/21/328145321.db2.gz OHTRIJZENXLNNM-HNNXBMFYSA-N 0 3 374.441 2.319 20 5 FEBDHN COc1cc(CN2CCN(CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000189477020 328150733 /nfs/dbraw/zinc/15/07/33/328150733.db2.gz BVQQSENJXVGTNK-GFCCVEGCSA-N 0 3 355.410 2.020 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)n1 ZINC000191714619 328278553 /nfs/dbraw/zinc/27/85/53/328278553.db2.gz BCXCMCBBHWIGEG-UHFFFAOYSA-N 0 3 372.429 2.205 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191966912 328290694 /nfs/dbraw/zinc/29/06/94/328290694.db2.gz WKRFAIOCPIGHAX-FCEWJHQRSA-N 0 3 358.394 2.454 20 5 FEBDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192700785 328334144 /nfs/dbraw/zinc/33/41/44/328334144.db2.gz YZHYIRANCYGCAL-LBPRGKRZSA-N 0 3 351.403 2.491 20 5 FEBDHN C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135921 328359298 /nfs/dbraw/zinc/35/92/98/328359298.db2.gz IFQJQQKXEUCPNR-CHWSQXEVSA-N 0 3 355.460 2.287 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000193419587 328374335 /nfs/dbraw/zinc/37/43/35/328374335.db2.gz ITPGANZOWNMAFW-KRWDZBQOSA-N 0 3 367.409 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000193433670 328375056 /nfs/dbraw/zinc/37/50/56/328375056.db2.gz RFLKLTCSRSUZIG-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236715133 328492596 /nfs/dbraw/zinc/49/25/96/328492596.db2.gz YEBALNZGKKBPGG-INIZCTEOSA-N 0 3 359.430 2.429 20 5 FEBDHN Cc1c(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000077804764 325017147 /nfs/dbraw/zinc/01/71/47/325017147.db2.gz DDYVUPGKEJUVTJ-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN Nc1c(C(=O)N2CCC[C@H](N3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000107628299 325631555 /nfs/dbraw/zinc/63/15/55/325631555.db2.gz JZCPBZQQDPPDPZ-ZDUSSCGKSA-N 0 3 350.394 2.407 20 5 FEBDHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000119125373 326129263 /nfs/dbraw/zinc/12/92/63/326129263.db2.gz OJYAQANLZXGYFB-UHFFFAOYSA-N 0 3 370.413 2.102 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000119829088 326202966 /nfs/dbraw/zinc/20/29/66/326202966.db2.gz WAPVYQCESJFZOP-YOEHRIQHSA-N 0 3 371.441 2.163 20 5 FEBDHN O=C1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000119901277 326210723 /nfs/dbraw/zinc/21/07/23/326210723.db2.gz PZVULDHPCQJSKA-RDTXWAMCSA-N 0 3 359.426 2.449 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000120724498 326282563 /nfs/dbraw/zinc/28/25/63/326282563.db2.gz ZYZUKISSEVZGQE-GHMZBOCLSA-N 0 3 368.821 2.128 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121055678 326310036 /nfs/dbraw/zinc/31/00/36/326310036.db2.gz AJBXVDKDKQFQNF-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(C)(C)C[NH+](C)C)c1C ZINC000121382892 326334751 /nfs/dbraw/zinc/33/47/51/326334751.db2.gz PHILKHPACSLICW-ZDUSSCGKSA-N 0 3 357.476 2.466 20 5 FEBDHN CCCc1n[n-]c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000121946235 326377540 /nfs/dbraw/zinc/37/75/40/326377540.db2.gz NSSFDFLPXYLMEZ-UHFFFAOYSA-N 0 3 360.418 2.099 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000122007861 326380445 /nfs/dbraw/zinc/38/04/45/326380445.db2.gz MGUDDVCFMHHTHE-UHFFFAOYSA-N 0 3 361.373 2.491 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122443357 326397074 /nfs/dbraw/zinc/39/70/74/326397074.db2.gz INNSLAKYICPIRK-ZBFHGGJFSA-N 0 3 367.471 2.316 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H](N2CCCC2)CC1 ZINC000160151211 326955358 /nfs/dbraw/zinc/95/53/58/326955358.db2.gz KPDHPPDFGHXZMB-ZDUSSCGKSA-N 0 3 371.434 2.373 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000160551778 326969275 /nfs/dbraw/zinc/96/92/75/326969275.db2.gz JNLPEEZAZDSJRA-UHFFFAOYSA-N 0 3 357.414 2.244 20 5 FEBDHN COCCN(C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162069395 327016139 /nfs/dbraw/zinc/01/61/39/327016139.db2.gz PONGRLFZNZNVOI-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000171125909 327119667 /nfs/dbraw/zinc/11/96/67/327119667.db2.gz FTMSXTRSDWKHRT-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171607940 327147848 /nfs/dbraw/zinc/14/78/48/327147848.db2.gz RKPICCXIRCPTBN-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618632 327148761 /nfs/dbraw/zinc/14/87/61/327148761.db2.gz JQCPUZQSBLMEQT-CQSZACIVSA-N 0 3 357.414 2.391 20 5 FEBDHN C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000173518313 327263490 /nfs/dbraw/zinc/26/34/90/327263490.db2.gz MEIBTFZFTLIQNN-INIZCTEOSA-N 0 3 371.441 2.304 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867806 327290156 /nfs/dbraw/zinc/29/01/56/327290156.db2.gz XVADLXCXFVYDEN-CYBMUJFWSA-N 0 3 371.434 2.277 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867806 327290157 /nfs/dbraw/zinc/29/01/57/327290157.db2.gz XVADLXCXFVYDEN-CYBMUJFWSA-N 0 3 371.434 2.277 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@@H]1c1cccnc1 ZINC000261732130 328815102 /nfs/dbraw/zinc/81/51/02/328815102.db2.gz MBCLDSYNPVGUHS-GOSISDBHSA-N 0 3 369.425 2.273 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1OC ZINC000275175016 330018585 /nfs/dbraw/zinc/01/85/85/330018585.db2.gz BYUOGDKHAYXQHG-NJZAAPMLSA-N 0 3 351.403 2.478 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000284245679 330181819 /nfs/dbraw/zinc/18/18/19/330181819.db2.gz CJXBAOZAUMIBHT-MRXNPFEDSA-N 0 3 353.444 2.161 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061802 330212593 /nfs/dbraw/zinc/21/25/93/330212593.db2.gz YMBRSQDCEZAVAV-QZTJIDSGSA-N 0 3 374.441 2.132 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247558314 549356459 /nfs/dbraw/zinc/35/64/59/549356459.db2.gz RPDLCFHFOMIBDF-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000158597902 545876028 /nfs/dbraw/zinc/87/60/28/545876028.db2.gz GBYOAFGCMBDNGX-GFCCVEGCSA-N 0 3 371.434 2.371 20 5 FEBDHN COC(=O)c1cnc(NC[C@@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000478294683 561163763 /nfs/dbraw/zinc/16/37/63/561163763.db2.gz WAPIHDBSMZVHCJ-OAHLLOKOSA-N 0 3 358.398 2.361 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000478302924 561163979 /nfs/dbraw/zinc/16/39/79/561163979.db2.gz MPBAOFQXACCRBK-LJQANCHMSA-N 0 3 359.401 2.461 20 5 FEBDHN CCOc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000171445851 546208804 /nfs/dbraw/zinc/20/88/04/546208804.db2.gz FPYFXXLNPSHWGR-CYBMUJFWSA-N 0 3 363.414 2.312 20 5 FEBDHN CC[C@H](NC(=O)NCC1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176184653 546417223 /nfs/dbraw/zinc/41/72/23/546417223.db2.gz JNQGZILGNICXRZ-KRWDZBQOSA-N 0 3 364.446 2.049 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177757783 546680614 /nfs/dbraw/zinc/68/06/14/546680614.db2.gz CQUJWPMYTCAAEY-CVEARBPZSA-N 0 3 369.425 2.479 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859106 546862607 /nfs/dbraw/zinc/86/26/07/546862607.db2.gz LYXBZMTWBAQPFJ-BBRMVZONSA-N 0 3 365.430 2.475 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000178944553 546877888 /nfs/dbraw/zinc/87/78/88/546877888.db2.gz KCOJQWGSBZXUEE-GJZGRUSLSA-N 0 3 369.487 2.177 20 5 FEBDHN COCCO[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179344697 546936058 /nfs/dbraw/zinc/93/60/58/546936058.db2.gz MHQNYBSQONXWMH-CQSZACIVSA-N 0 3 351.403 2.051 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760402 547009503 /nfs/dbraw/zinc/00/95/03/547009503.db2.gz MSJCKVAOQVZHMX-CYBMUJFWSA-N 0 3 370.409 2.456 20 5 FEBDHN CCO[C@@H]1C[C@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482515970 561255444 /nfs/dbraw/zinc/25/54/44/561255444.db2.gz BAQVZWIJHIFXLA-HVDRQEDPSA-N 0 3 351.403 2.094 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180498100 547119436 /nfs/dbraw/zinc/11/94/36/547119436.db2.gz CYNUKVXANJCWHV-MRXNPFEDSA-N 0 3 357.414 2.385 20 5 FEBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181279662 547285277 /nfs/dbraw/zinc/28/52/77/547285277.db2.gz AZEXFILUYIOLLM-CQSZACIVSA-N 0 3 361.398 2.318 20 5 FEBDHN CCN1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182186786 547449281 /nfs/dbraw/zinc/44/92/81/547449281.db2.gz JZVJNGZNTWDYTE-RHSMWYFYSA-N 0 3 369.487 2.031 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000182851019 547561626 /nfs/dbraw/zinc/56/16/26/547561626.db2.gz NUNJJZURVKYPKM-CRAIPNDOSA-N 0 3 360.458 2.203 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183400207 547650605 /nfs/dbraw/zinc/65/06/05/547650605.db2.gz LYKMZXYXTUNYFR-SFHVURJKSA-N 0 3 369.421 2.400 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000183408078 547653277 /nfs/dbraw/zinc/65/32/77/547653277.db2.gz SEIKVDVYRBKRLN-INIZCTEOSA-N 0 3 355.398 2.139 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183425052 547656840 /nfs/dbraw/zinc/65/68/40/547656840.db2.gz WSURKEKAYCUQEY-IBGZPJMESA-N 0 3 369.421 2.020 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CN1CCCCC1 ZINC000183523554 547675233 /nfs/dbraw/zinc/67/52/33/547675233.db2.gz NGJLOAFHOCCVOP-OAHLLOKOSA-N 0 3 369.487 2.179 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000184316274 547807067 /nfs/dbraw/zinc/80/70/67/547807067.db2.gz ASDZQEZUJUDGJN-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184588721 547850454 /nfs/dbraw/zinc/85/04/54/547850454.db2.gz VTAOPZMHWGNWLL-HNNXBMFYSA-N 0 3 355.460 2.231 20 5 FEBDHN C[C@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000184879313 547892411 /nfs/dbraw/zinc/89/24/11/547892411.db2.gz DYRBJVBEWXRXDQ-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186327267 548119530 /nfs/dbraw/zinc/11/95/30/548119530.db2.gz HQUILNXDNDEGMS-KRWDZBQOSA-N 0 3 371.441 2.304 20 5 FEBDHN CSc1cccc(C(=O)N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000486215941 561341327 /nfs/dbraw/zinc/34/13/27/561341327.db2.gz BERQOYINJMZXSR-UHFFFAOYSA-N 0 3 367.471 2.500 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245742099 548985922 /nfs/dbraw/zinc/98/59/22/548985922.db2.gz FEDOAPYAXYIXQU-UKRRQHHQSA-N 0 3 357.414 2.193 20 5 FEBDHN COC(=O)c1cc(C)nc(N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488712919 561395051 /nfs/dbraw/zinc/39/50/51/561395051.db2.gz KHKQPVARPZXGSY-LBPRGKRZSA-N 0 3 362.430 2.395 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247629550 549367132 /nfs/dbraw/zinc/36/71/32/549367132.db2.gz SPIXQLNHFIBVCX-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c([N+](=O)[O-])cc1OC ZINC000261844978 549761655 /nfs/dbraw/zinc/76/16/55/549761655.db2.gz UUZNFXIHPRVRGH-LSDHHAIUSA-N 0 3 371.393 2.179 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261885780 549766234 /nfs/dbraw/zinc/76/62/34/549766234.db2.gz UTMNVXSGPJTOFN-LSDHHAIUSA-N 0 3 361.423 2.019 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000263652044 549913665 /nfs/dbraw/zinc/91/36/65/549913665.db2.gz HHDOVVFUISAFDN-KRWDZBQOSA-N 0 3 371.441 2.189 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121258 550157420 /nfs/dbraw/zinc/15/74/20/550157420.db2.gz DBWPSLLWCWILJR-QAPCUYQASA-N 0 3 356.426 2.492 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000270619524 550289797 /nfs/dbraw/zinc/28/97/97/550289797.db2.gz DBWNPUJNGVRXOO-UONOGXRCSA-N 0 3 372.878 2.164 20 5 FEBDHN Cc1cc(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271572695 550387040 /nfs/dbraw/zinc/38/70/40/550387040.db2.gz AFFUZMQJKOOPAM-MRXNPFEDSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271572695 550387043 /nfs/dbraw/zinc/38/70/43/550387043.db2.gz AFFUZMQJKOOPAM-MRXNPFEDSA-N 0 3 360.414 2.246 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272498620 550453487 /nfs/dbraw/zinc/45/34/87/550453487.db2.gz GHPSLKJQRPMXPD-XWIAVFTESA-N 0 3 355.442 2.490 20 5 FEBDHN COC(=O)c1cnc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785786 550595613 /nfs/dbraw/zinc/59/56/13/550595613.db2.gz OXFAFAFGRGMTAI-BETUJISGSA-N 0 3 366.418 2.078 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000278142864 550754133 /nfs/dbraw/zinc/75/41/33/550754133.db2.gz AGZQNWZPWNHCHW-NWDGAFQWSA-N 0 3 360.418 2.095 20 5 FEBDHN CN(C)CCN1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278435207 550785729 /nfs/dbraw/zinc/78/57/29/550785729.db2.gz QAHRYHCEEBJPRB-UHFFFAOYSA-N 0 3 361.368 2.447 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495684 550792367 /nfs/dbraw/zinc/79/23/67/550792367.db2.gz AAHZNUZEOPYDTR-IPELMVKDSA-N 0 3 371.437 2.421 20 5 FEBDHN CCn1nccc1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000278845085 550828341 /nfs/dbraw/zinc/82/83/41/550828341.db2.gz JODMOCBKWVWGLU-QGZVFWFLSA-N 0 3 374.441 2.431 20 5 FEBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000279133842 550857590 /nfs/dbraw/zinc/85/75/90/550857590.db2.gz WOIKEQHVGVXCJD-HZPDHXFCSA-N 0 3 351.403 2.015 20 5 FEBDHN Cn1cc(CNCC2([S@](C)=O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280645771 551016874 /nfs/dbraw/zinc/01/68/74/551016874.db2.gz NPRJPCBPKIUNOY-VWLOTQADSA-N 0 3 362.455 2.386 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000496211826 561493049 /nfs/dbraw/zinc/49/30/49/561493049.db2.gz SYLRALPSSXLBBF-INIZCTEOSA-N 0 3 371.441 2.455 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000281013732 551054991 /nfs/dbraw/zinc/05/49/91/551054991.db2.gz RCJKELRSHCOJNX-UHFFFAOYSA-N 0 3 370.409 2.489 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](OCc2ccncc2)C1 ZINC000281075443 551061071 /nfs/dbraw/zinc/06/10/71/551061071.db2.gz UBKZRJRZDATZPK-IRXDYDNUSA-N 0 3 373.409 2.021 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000281156233 551069040 /nfs/dbraw/zinc/06/90/40/551069040.db2.gz LAAFJTAUAIFJTM-CHWSQXEVSA-N 0 3 366.418 2.078 20 5 FEBDHN CN(CCCN1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000281441033 551097786 /nfs/dbraw/zinc/09/77/86/551097786.db2.gz HBMDXZVYGNAMJZ-UHFFFAOYSA-N 0 3 361.851 2.355 20 5 FEBDHN O=C(CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157305 551320649 /nfs/dbraw/zinc/32/06/49/551320649.db2.gz CTLRIEYBOSKLSG-TZMCWYRMSA-N 0 3 361.320 2.311 20 5 FEBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000283340304 551350198 /nfs/dbraw/zinc/35/01/98/551350198.db2.gz AHINJRSPNPAGNP-UHFFFAOYSA-N 0 3 356.430 2.455 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000286338201 551876005 /nfs/dbraw/zinc/87/60/05/551876005.db2.gz KCJOVYOGPCQIIB-IRXDYDNUSA-N 0 3 361.442 2.157 20 5 FEBDHN CN1CCC(Oc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000286377500 551880732 /nfs/dbraw/zinc/88/07/32/551880732.db2.gz IQDQAXMTGCQWCU-UHFFFAOYSA-N 0 3 358.402 2.052 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569684 551901017 /nfs/dbraw/zinc/90/10/17/551901017.db2.gz DYWMRQWRMGCHJF-SMDDNHRTSA-N 0 3 373.862 2.496 20 5 FEBDHN CCOc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000499933971 561562229 /nfs/dbraw/zinc/56/22/29/561562229.db2.gz WPAIDTDCLRYIQT-OAHLLOKOSA-N 0 3 365.430 2.176 20 5 FEBDHN CO[C@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289490760 552330240 /nfs/dbraw/zinc/33/02/40/552330240.db2.gz KXFKSNSBDDTQPM-MRVPVSSYSA-N 0 3 350.156 2.324 20 5 FEBDHN C[C@H](CCO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289582357 552344810 /nfs/dbraw/zinc/34/48/10/552344810.db2.gz SRBFMBQHCAESPS-SECBINFHSA-N 0 3 364.183 2.308 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2cn[nH]c2)c1 ZINC000289977358 552408626 /nfs/dbraw/zinc/40/86/26/552408626.db2.gz WOPAIDKBWUBHDQ-UHFFFAOYSA-N 0 3 372.166 2.255 20 5 FEBDHN CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCc2ccccc2C1 ZINC000500792059 561582513 /nfs/dbraw/zinc/58/25/13/561582513.db2.gz CSRRHBQNYCXBND-INIZCTEOSA-N 0 3 371.441 2.141 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500876869 561584888 /nfs/dbraw/zinc/58/48/88/561584888.db2.gz TYCWUQCCHIUFAI-OAHLLOKOSA-N 0 3 362.474 2.015 20 5 FEBDHN CC(=O)N[C@H](C)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501030158 561588051 /nfs/dbraw/zinc/58/80/51/561588051.db2.gz AKKOFWHQTMYVLQ-CYBMUJFWSA-N 0 3 362.430 2.160 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)[C@@H](CO)C1 ZINC000291891814 552672170 /nfs/dbraw/zinc/67/21/70/552672170.db2.gz QSQOHZXGZOVKAX-GFCCVEGCSA-N 0 3 357.357 2.181 20 5 FEBDHN CCC[C@@H](C)C(=O)NCCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590297 552838330 /nfs/dbraw/zinc/83/83/30/552838330.db2.gz CRQOIUKNSBBDBT-KGLIPLIRSA-N 0 3 364.446 2.454 20 5 FEBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000294744843 552931128 /nfs/dbraw/zinc/93/11/28/552931128.db2.gz VMEBGNKMPONENR-CZUORRHYSA-N 0 3 363.458 2.419 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN(C2CC2)C1 ZINC000295243130 552974805 /nfs/dbraw/zinc/97/48/05/552974805.db2.gz DBPZJKLHTUZWNR-AWEZNQCLSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000295270479 552979168 /nfs/dbraw/zinc/97/91/68/552979168.db2.gz HQSYIFUZIRNKIZ-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(I)cc2)c1 ZINC000295575068 553028006 /nfs/dbraw/zinc/02/80/06/553028006.db2.gz DHSSSVTXRTUYHR-UHFFFAOYSA-N 0 3 372.166 2.186 20 5 FEBDHN COc1cc(CN[C@@H]2COC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000295716019 553049255 /nfs/dbraw/zinc/04/92/55/553049255.db2.gz UZZZQDHKCMVZRV-IAGOWNOFSA-N 0 3 374.393 2.032 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000502377807 561617185 /nfs/dbraw/zinc/61/71/85/561617185.db2.gz JOZMXPSUDINAQO-HOTGVXAUSA-N 0 3 373.413 2.334 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(CCCO)C1 ZINC000296065058 553098820 /nfs/dbraw/zinc/09/88/20/553098820.db2.gz AYIOFVIUQPXIIO-LLVKDONJSA-N 0 3 356.810 2.217 20 5 FEBDHN Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)nnc1C1CC[NH2+]CC1 ZINC000297192317 553261917 /nfs/dbraw/zinc/26/19/17/553261917.db2.gz QROQVPVDAZNJPB-UHFFFAOYSA-N 0 3 359.415 2.218 20 5 FEBDHN Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)nnc1C1CC[NH2+]CC1 ZINC000297192317 553261919 /nfs/dbraw/zinc/26/19/19/553261919.db2.gz QROQVPVDAZNJPB-UHFFFAOYSA-N 0 3 359.415 2.218 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803023 553340627 /nfs/dbraw/zinc/34/06/27/553340627.db2.gz IAQUJGHAMXMJHF-TZMCWYRMSA-N 0 3 362.430 2.078 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000298831082 553478620 /nfs/dbraw/zinc/47/86/20/553478620.db2.gz WDWBMLYZPNPCAU-UHFFFAOYSA-N 0 3 353.444 2.234 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000299296846 553543947 /nfs/dbraw/zinc/54/39/47/553543947.db2.gz MRBNZYOSDBUDQF-GDBMZVCRSA-N 0 3 374.441 2.235 20 5 FEBDHN CC(C)(C)CNC(=O)C(C)(C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299578484 553584218 /nfs/dbraw/zinc/58/42/18/553584218.db2.gz HOHGJUSPNLJEGG-UHFFFAOYSA-N 0 3 364.446 2.454 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000299733876 553610064 /nfs/dbraw/zinc/61/00/64/553610064.db2.gz ZCLDXQUXLFHZOD-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301099735 553621969 /nfs/dbraw/zinc/62/19/69/553621969.db2.gz SMODTHDJZBEPKL-CQSZACIVSA-N 0 3 355.398 2.165 20 5 FEBDHN COc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301502070 553656524 /nfs/dbraw/zinc/65/65/24/553656524.db2.gz FHNGPIVRDXLKOW-QGZVFWFLSA-N 0 3 357.410 2.435 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301913382 553691506 /nfs/dbraw/zinc/69/15/06/553691506.db2.gz CMPYCXYSLPFFTM-QGZVFWFLSA-N 0 3 369.425 2.062 20 5 FEBDHN Cc1cc(N2CCO[C@@H](CN(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302692356 553726294 /nfs/dbraw/zinc/72/62/94/553726294.db2.gz RXNLHYJEPVKTEV-NSHDSACASA-N 0 3 358.236 2.433 20 5 FEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCNC(=O)c1ccn[nH]1 ZINC000507396445 561728182 /nfs/dbraw/zinc/72/81/82/561728182.db2.gz CKHPSVRHJSURBG-GFCCVEGCSA-N 0 3 363.443 2.208 20 5 FEBDHN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000509023513 561781995 /nfs/dbraw/zinc/78/19/95/561781995.db2.gz WLKOOVNHWWHJRS-SCLBCKFNSA-N 0 3 368.428 2.331 20 5 FEBDHN O=C(CCN1CCS[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621640 554296962 /nfs/dbraw/zinc/29/69/62/554296962.db2.gz FHZPJDMULLQVSM-CABCVRRESA-N 0 3 351.428 2.130 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCc1nnnn1-c1ccccc1 ZINC000509432090 561799475 /nfs/dbraw/zinc/79/94/75/561799475.db2.gz XUILRERNPGIEBB-SOFGYWHQSA-N 0 3 350.382 2.416 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000332079935 554375647 /nfs/dbraw/zinc/37/56/47/554375647.db2.gz IYFIMZXHJKFFAT-GDBMZVCRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000332079936 554376013 /nfs/dbraw/zinc/37/60/13/554376013.db2.gz IYFIMZXHJKFFAT-GOEBONIOSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000510546094 561838288 /nfs/dbraw/zinc/83/82/88/561838288.db2.gz IDQXUIMXSFCGJL-WBMJQRKESA-N 0 3 357.414 2.302 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391124 554920669 /nfs/dbraw/zinc/92/06/69/554920669.db2.gz IPXCPWFJGUWTBA-QMTHXVAHSA-N 0 3 363.443 2.365 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422733 555101487 /nfs/dbraw/zinc/10/14/87/555101487.db2.gz IXHGJUNWTZJYLY-FRRDWIJNSA-N 0 3 353.444 2.276 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OCC2CC2)CC1 ZINC000363650298 555155149 /nfs/dbraw/zinc/15/51/49/555155149.db2.gz GGJCBCYNQOLTKN-OAHLLOKOSA-N 0 3 350.415 2.226 20 5 FEBDHN N[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000364198202 555267913 /nfs/dbraw/zinc/26/79/13/555267913.db2.gz XGVKXTGAYQQJCL-CVEARBPZSA-N 0 3 374.328 2.209 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000364213834 555271625 /nfs/dbraw/zinc/27/16/25/555271625.db2.gz QWBGVVYUDOFYHU-LSDHHAIUSA-N 0 3 359.357 2.309 20 5 FEBDHN CN1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000364568747 555340771 /nfs/dbraw/zinc/34/07/71/555340771.db2.gz JGEDUEXEFLDKSO-KXBFYZLASA-N 0 3 370.409 2.178 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000364921212 555438248 /nfs/dbraw/zinc/43/82/48/555438248.db2.gz WCHIECCYKLABBY-UHFFFAOYSA-N 0 3 367.409 2.371 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244662 561965429 /nfs/dbraw/zinc/96/54/29/561965429.db2.gz LTMKNDWVLPLRLM-WOPDTQHZSA-N 0 3 367.402 2.108 20 5 FEBDHN CC(=O)c1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437467 556048510 /nfs/dbraw/zinc/04/85/10/556048510.db2.gz WMZJWYIWJSJYHU-KSSFIOAISA-N 0 3 360.458 2.260 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367642426 556103464 /nfs/dbraw/zinc/10/34/64/556103464.db2.gz IRHKOBZPCUYSBE-UHFFFAOYSA-N 0 3 364.365 2.074 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870253 561984186 /nfs/dbraw/zinc/98/41/86/561984186.db2.gz XUUPTIKZBGRELN-BDJLRTHQSA-N 0 3 353.369 2.358 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1ncccc1Cl ZINC000515415124 562009889 /nfs/dbraw/zinc/00/98/89/562009889.db2.gz QEBHAYXSFWICJC-LBPRGKRZSA-N 0 3 367.789 2.052 20 5 FEBDHN Cc1ncc(CN2CC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976180 556465531 /nfs/dbraw/zinc/46/55/31/556465531.db2.gz UNUVHMLSRLBAAC-BXUZGUMPSA-N 0 3 364.475 2.093 20 5 FEBDHN CC(=O)Nc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000515877255 562024568 /nfs/dbraw/zinc/02/45/68/562024568.db2.gz SBPLGRSSULGCJU-KRWDZBQOSA-N 0 3 359.382 2.083 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370203212 556809735 /nfs/dbraw/zinc/80/97/35/556809735.db2.gz ZYLXMHWAFYGJOL-GOSISDBHSA-N 0 3 362.474 2.204 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370423703 556868815 /nfs/dbraw/zinc/86/88/15/556868815.db2.gz METUJYNZXBUSSZ-KRWDZBQOSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370423069 556868908 /nfs/dbraw/zinc/86/89/08/556868908.db2.gz JYGFICFNVHNGCA-MRXNPFEDSA-N 0 3 360.458 2.144 20 5 FEBDHN CN1CCC[C@@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000370698499 556943546 /nfs/dbraw/zinc/94/35/46/556943546.db2.gz FVUSCPRBEMSCMM-OAHLLOKOSA-N 0 3 352.866 2.460 20 5 FEBDHN O=C1CCc2cc([N+](=O)[O-])c(NC3CCN([C@@H]4CCOC4)CC3)cc2N1 ZINC000371131072 557083868 /nfs/dbraw/zinc/08/38/68/557083868.db2.gz WMQCXRSCNLNKFI-CQSZACIVSA-N 0 3 360.414 2.145 20 5 FEBDHN Cc1ccc([C@@H](C)NC[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281219 557129518 /nfs/dbraw/zinc/12/95/18/557129518.db2.gz BQGRBVJJKOFVMG-VQIMIIECSA-N 0 3 363.458 2.435 20 5 FEBDHN Cc1ccc([C@@H](C)NC[C@@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281216 557130052 /nfs/dbraw/zinc/13/00/52/557130052.db2.gz BQGRBVJJKOFVMG-APWZRJJASA-N 0 3 363.458 2.435 20 5 FEBDHN CN1CCC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000517454883 562090559 /nfs/dbraw/zinc/09/05/59/562090559.db2.gz IYYIDZBCNZHOKH-OAHLLOKOSA-N 0 3 360.458 2.269 20 5 FEBDHN CN1CCN(c2ccncc2NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000517560818 562092494 /nfs/dbraw/zinc/09/24/94/562092494.db2.gz BALHRIXLKJNSSR-UHFFFAOYSA-N 0 3 356.386 2.386 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000518594263 562114833 /nfs/dbraw/zinc/11/48/33/562114833.db2.gz WAMDEOXUSJYYJR-UHFFFAOYSA-N 0 3 364.446 2.283 20 5 FEBDHN CN1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000372660346 557531947 /nfs/dbraw/zinc/53/19/47/557531947.db2.gz OHPPYTRHJRLOSG-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000373083294 557624660 /nfs/dbraw/zinc/62/46/60/557624660.db2.gz ZUIWJKLGHYUGMT-HNNXBMFYSA-N 0 3 366.849 2.475 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000373092844 557626738 /nfs/dbraw/zinc/62/67/38/557626738.db2.gz OXLAFLQOQCPWHW-INIZCTEOSA-N 0 3 360.458 2.144 20 5 FEBDHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467736 557699071 /nfs/dbraw/zinc/69/90/71/557699071.db2.gz UVEXSICZWHJXIF-HUUCEWRRSA-N 0 3 366.466 2.114 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373762821 557753860 /nfs/dbraw/zinc/75/38/60/557753860.db2.gz YKQDRCHGHLRNQO-MAUKXSAKSA-N 0 3 362.474 2.061 20 5 FEBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000374372896 557873653 /nfs/dbraw/zinc/87/36/53/557873653.db2.gz GBRZZHKPRHRRAY-NEPJUHHUSA-N 0 3 352.366 2.027 20 5 FEBDHN COc1cccc(CC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000374613299 557906866 /nfs/dbraw/zinc/90/68/66/557906866.db2.gz OJHUUJMXRCTPRH-SFHVURJKSA-N 0 3 374.441 2.116 20 5 FEBDHN C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896626 557947391 /nfs/dbraw/zinc/94/73/91/557947391.db2.gz OZZSAFNZFGIRCQ-WMZOPIPTSA-N 0 3 373.457 2.013 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1OC ZINC000375017024 557964854 /nfs/dbraw/zinc/96/48/54/557964854.db2.gz GFHODUGVZIGKEZ-IUODEOHRSA-N 0 3 363.414 2.168 20 5 FEBDHN CN1CCN(CC2(C)CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000375908178 558097862 /nfs/dbraw/zinc/09/78/62/558097862.db2.gz VQRLCRHSKONWSH-UHFFFAOYSA-N 0 3 367.881 2.497 20 5 FEBDHN CN1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377645963 558385588 /nfs/dbraw/zinc/38/55/88/558385588.db2.gz GVSMJYIXTSDERD-WMZOPIPTSA-N 0 3 372.400 2.368 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1nccc(C)c1[N+](=O)[O-] ZINC000377736417 558408532 /nfs/dbraw/zinc/40/85/32/558408532.db2.gz AXLMGYFCTSCGLT-UHFFFAOYSA-N 0 3 373.461 2.094 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000378369089 558540941 /nfs/dbraw/zinc/54/09/41/558540941.db2.gz IXEPTCWIGNQHKK-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000523538332 562215068 /nfs/dbraw/zinc/21/50/68/562215068.db2.gz AZLVBPGKNYCTDG-UHFFFAOYSA-N 0 3 357.414 2.229 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000408081342 558644502 /nfs/dbraw/zinc/64/45/02/558644502.db2.gz UXRTUPZSQXRORZ-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239625 558659657 /nfs/dbraw/zinc/65/96/57/558659657.db2.gz ZTOCLZOAYMCPFZ-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408467030 558680355 /nfs/dbraw/zinc/68/03/55/558680355.db2.gz NPYJLCPKIIGIOF-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755318 558957109 /nfs/dbraw/zinc/95/71/09/558957109.db2.gz IKGVXSZKRIZIJH-UGSOOPFHSA-N 0 3 370.409 2.171 20 5 FEBDHN CO[C@](C)([C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965814 558996486 /nfs/dbraw/zinc/99/64/86/558996486.db2.gz FZJWPHNXLYZNRD-MLGOLLRUSA-N 0 3 356.444 2.162 20 5 FEBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328557 559028232 /nfs/dbraw/zinc/02/82/32/559028232.db2.gz CCEFNYDNQWCGHU-AAEUAGOBSA-N 0 3 361.402 2.484 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C2=CCN(C)CC2)c1F ZINC000413722108 559126938 /nfs/dbraw/zinc/12/69/38/559126938.db2.gz PIGJZKXEXYNGJK-LLVKDONJSA-N 0 3 351.378 2.052 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413824607 559132865 /nfs/dbraw/zinc/13/28/65/559132865.db2.gz WRTGAZSPZXGPDQ-IRXDYDNUSA-N 0 3 363.458 2.127 20 5 FEBDHN COCCNC(=O)C1(N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187016 559152096 /nfs/dbraw/zinc/15/20/96/559152096.db2.gz PVMCLYKGNXMLMR-HOCLYGCPSA-N 0 3 361.442 2.191 20 5 FEBDHN NCc1cn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137226 559207728 /nfs/dbraw/zinc/20/77/28/559207728.db2.gz YAUHSUXYABAMFR-CQSZACIVSA-N 0 3 350.810 2.136 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417168453 559351042 /nfs/dbraw/zinc/35/10/42/559351042.db2.gz ATTGROBYLAHYIG-QGZVFWFLSA-N 0 3 370.409 2.290 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420292283 559479015 /nfs/dbraw/zinc/47/90/15/559479015.db2.gz LQAXRGCEBKRQDZ-HOTGVXAUSA-N 0 3 360.458 2.108 20 5 FEBDHN CC(C)(C)[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420450268 559487974 /nfs/dbraw/zinc/48/79/74/559487974.db2.gz PAVLEIPTDSXLHB-LLVKDONJSA-N 0 3 369.365 2.265 20 5 FEBDHN NC[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000422855879 559608691 /nfs/dbraw/zinc/60/86/91/559608691.db2.gz DBBBTZKPJUVCGJ-MRXNPFEDSA-N 0 3 357.360 2.427 20 5 FEBDHN CC(C)CCSc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423986197 559649127 /nfs/dbraw/zinc/64/91/27/559649127.db2.gz FINMYNWTFOSVOA-AWEZNQCLSA-N 0 3 367.471 2.451 20 5 FEBDHN N[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424007430 559650544 /nfs/dbraw/zinc/65/05/44/559650544.db2.gz GDJKJFFIZIBTQN-JKSUJKDBSA-N 0 3 372.400 2.489 20 5 FEBDHN CO[C@H]1C[C@H]2C[C@H](NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424277963 559660633 /nfs/dbraw/zinc/66/06/33/559660633.db2.gz HLQDLJJHAKOTMJ-XBRFFFJOSA-N 0 3 368.455 2.162 20 5 FEBDHN C[C@H](CO)N1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450272 559702869 /nfs/dbraw/zinc/70/28/69/559702869.db2.gz UKCKNFMQMXKCNJ-GFCCVEGCSA-N 0 3 372.263 2.246 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018052 559788792 /nfs/dbraw/zinc/78/87/92/559788792.db2.gz HJLRYJNQJDXQBA-RKVPGOIHSA-N 0 3 372.469 2.146 20 5 FEBDHN COc1cc(NCC(=O)NCCN2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000431512178 559840557 /nfs/dbraw/zinc/84/05/57/559840557.db2.gz DTKUUBRDAPTNQO-UHFFFAOYSA-N 0 3 368.409 2.147 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCO1 ZINC000432549173 559860858 /nfs/dbraw/zinc/86/08/58/559860858.db2.gz HVLZOXMBHRCMCN-ZDUSSCGKSA-N 0 3 360.414 2.307 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000433980226 559891997 /nfs/dbraw/zinc/89/19/97/559891997.db2.gz HIIYQXNCASIFCT-AWEZNQCLSA-N 0 3 359.430 2.344 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000436441392 559941709 /nfs/dbraw/zinc/94/17/09/559941709.db2.gz YBOHVJDNMIOTHS-HOTGVXAUSA-N 0 3 365.455 2.397 20 5 FEBDHN CN(C)C1(CN(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000438592914 559981026 /nfs/dbraw/zinc/98/10/26/559981026.db2.gz AAMVCHXMLIRJHO-UHFFFAOYSA-N 0 3 372.425 2.465 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440520178 560013583 /nfs/dbraw/zinc/01/35/83/560013583.db2.gz LCCPUJCGTYBOLN-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000440915978 560019591 /nfs/dbraw/zinc/01/95/91/560019591.db2.gz WTRMDZLHIUWCQZ-OCCSQVGLSA-N 0 3 369.425 2.350 20 5 FEBDHN CSc1cccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000442963492 560064147 /nfs/dbraw/zinc/06/41/47/560064147.db2.gz FEHCCJOPOPSCDP-UHFFFAOYSA-N 0 3 366.487 2.073 20 5 FEBDHN CN1CC[C@@](O)(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447680503 560166627 /nfs/dbraw/zinc/16/66/27/560166627.db2.gz HLLVFKIRNCPQOH-LLVKDONJSA-N 0 3 370.278 2.122 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448317475 560183834 /nfs/dbraw/zinc/18/38/34/560183834.db2.gz IFZIIOZNQAGKRF-HNNXBMFYSA-N 0 3 362.430 2.078 20 5 FEBDHN COC(=O)COc1ccc(CNCC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000449728288 560238460 /nfs/dbraw/zinc/23/84/60/560238460.db2.gz UMLJWSURMTXODZ-UHFFFAOYSA-N 0 3 354.403 2.033 20 5 FEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)nc1-c1ccc(F)cc1 ZINC000450601993 560267700 /nfs/dbraw/zinc/26/77/00/560267700.db2.gz ZGCYCTHTEHROBV-INIZCTEOSA-N 0 3 374.416 3.055 20 5 FEBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836858 560331486 /nfs/dbraw/zinc/33/14/86/560331486.db2.gz HCWHOUZCVOCXHK-KGLIPLIRSA-N 0 3 364.446 2.347 20 5 FEBDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452078765 560349871 /nfs/dbraw/zinc/34/98/71/560349871.db2.gz FAQJIPVKWQPELB-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453141046 560383820 /nfs/dbraw/zinc/38/38/20/560383820.db2.gz JBWOTLSUUSJLKH-MRXNPFEDSA-N 0 3 353.444 2.041 20 5 FEBDHN C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000455423348 560481722 /nfs/dbraw/zinc/48/17/22/560481722.db2.gz BTCABOXLIRDJHI-ZDUSSCGKSA-N 0 3 350.419 2.098 20 5 FEBDHN CNc1nc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915704 560500082 /nfs/dbraw/zinc/50/00/82/560500082.db2.gz NLOGKJOBNBOGTB-DZGCQCFKSA-N 0 3 369.425 2.424 20 5 FEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1OCCN(C)C ZINC000458214323 560609440 /nfs/dbraw/zinc/60/94/40/560609440.db2.gz OJIBQBGVNCNZGR-UHFFFAOYSA-N 0 3 359.386 2.073 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744237 560705667 /nfs/dbraw/zinc/70/56/67/560705667.db2.gz DQMGJICKDVOLEC-XZJROXQQSA-N 0 3 363.414 2.478 20 5 FEBDHN CCN1CCN(CCCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470152697 560975510 /nfs/dbraw/zinc/97/55/10/560975510.db2.gz NWONCDAPQGBNTF-UHFFFAOYSA-N 0 3 367.425 2.273 20 5 FEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000470178059 560976168 /nfs/dbraw/zinc/97/61/68/560976168.db2.gz WLJKSQWIUDQFTN-QTJNJRLBSA-N 0 3 372.425 2.308 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000474351662 561071872 /nfs/dbraw/zinc/07/18/72/561071872.db2.gz MCBHHIMCWPLEIW-OAHLLOKOSA-N 0 3 372.377 2.240 20 5 FEBDHN CNc1ccc(C(=O)N2CCN(c3ccncc3OC)CC2)cc1[N+](=O)[O-] ZINC000530317067 562406602 /nfs/dbraw/zinc/40/66/02/562406602.db2.gz ADSCRXYLEGZKJK-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1=O ZINC000534493764 562535196 /nfs/dbraw/zinc/53/51/96/562535196.db2.gz UEYRBEIPFJCHFW-UHFFFAOYSA-N 0 3 370.365 2.317 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000603715461 568138372 /nfs/dbraw/zinc/13/83/72/568138372.db2.gz YWKRYRKUADGDIC-ZIAGYGMSSA-N 0 3 362.430 2.221 20 5 FEBDHN Cc1ccc([C@@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920869 674427990 /nfs/dbraw/zinc/42/79/90/674427990.db2.gz PNPSDNDFPYTEOE-UKRRQHHQSA-N 0 3 355.460 2.368 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368216 599530985 /nfs/dbraw/zinc/53/09/85/599530985.db2.gz ATPFCTOANZSWOK-CYBMUJFWSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368216 599530987 /nfs/dbraw/zinc/53/09/87/599530987.db2.gz ATPFCTOANZSWOK-CYBMUJFWSA-N 0 3 357.418 2.230 20 5 FEBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC000810065505 674528520 /nfs/dbraw/zinc/52/85/20/674528520.db2.gz WDNWYDIWHNILAN-UHFFFAOYSA-N 0 3 353.400 2.193 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670182 609315034 /nfs/dbraw/zinc/31/50/34/609315034.db2.gz LQCQWRTZPWNXOX-NWDGAFQWSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670182 609315035 /nfs/dbraw/zinc/31/50/35/609315035.db2.gz LQCQWRTZPWNXOX-NWDGAFQWSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670182 609315037 /nfs/dbraw/zinc/31/50/37/609315037.db2.gz LQCQWRTZPWNXOX-NWDGAFQWSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670182 609315040 /nfs/dbraw/zinc/31/50/40/609315040.db2.gz LQCQWRTZPWNXOX-NWDGAFQWSA-N 0 3 372.433 2.235 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[N+](=O)[O-] ZINC000813101434 674718971 /nfs/dbraw/zinc/71/89/71/674718971.db2.gz AABKQBDLEBEAAR-QWHCGFSZSA-N 0 3 370.427 2.072 20 5 FEBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817491342 675138468 /nfs/dbraw/zinc/13/84/68/675138468.db2.gz OJIJFXHKZWBSBL-GFCCVEGCSA-N 0 3 350.375 2.286 20 5 FEBDHN CSC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000573885792 671177024 /nfs/dbraw/zinc/17/70/24/671177024.db2.gz QUTVFMSZGIJAIU-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCSCC(F)(F)F)cc1 ZINC000574869032 671282361 /nfs/dbraw/zinc/28/23/61/671282361.db2.gz KAEWIEKGSLFJOR-UHFFFAOYSA-N 0 3 372.390 2.254 20 5 FEBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590369349 672575120 /nfs/dbraw/zinc/57/51/20/672575120.db2.gz CSKXOLDPIUOBRL-LBPRGKRZSA-N 0 3 367.471 2.282 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000590444956 672583536 /nfs/dbraw/zinc/58/35/36/672583536.db2.gz OLQDDGVOEWUURK-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN COc1cc(C(=O)N(C)CCN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000593882009 673004124 /nfs/dbraw/zinc/00/41/24/673004124.db2.gz BAUUXKPGWFTBKZ-UHFFFAOYSA-N 0 3 351.403 2.170 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(O)CCC(F)(F)CC1)OCCO2 ZINC000595000805 673185209 /nfs/dbraw/zinc/18/52/09/673185209.db2.gz PCOLAUYEHWQTFC-UHFFFAOYSA-N 0 3 358.341 2.396 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000595411760 673246127 /nfs/dbraw/zinc/24/61/27/673246127.db2.gz STFQDZBMHWPKIF-LBPRGKRZSA-N 0 3 359.473 2.057 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000595411760 673246128 /nfs/dbraw/zinc/24/61/28/673246128.db2.gz STFQDZBMHWPKIF-LBPRGKRZSA-N 0 3 359.473 2.057 20 5 FEBDHN COc1cc(N(C)CCCN2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596120595 673360895 /nfs/dbraw/zinc/36/08/95/673360895.db2.gz IRUNPNQGKQJJBA-UHFFFAOYSA-N 0 3 356.854 2.331 20 5 FEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246813 673481116 /nfs/dbraw/zinc/48/11/16/673481116.db2.gz QWQXONWCFPIPML-ZYHUDNBSSA-N 0 3 356.329 2.104 20 5 FEBDHN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597947443 673522654 /nfs/dbraw/zinc/52/26/54/673522654.db2.gz YIYGOBZTZSWVCZ-AWEZNQCLSA-N 0 3 367.471 2.389 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000598572892 673584924 /nfs/dbraw/zinc/58/49/24/673584924.db2.gz MLDYWJWMNOPHBK-OAHLLOKOSA-N 0 3 367.471 2.403 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598604914 673588934 /nfs/dbraw/zinc/58/89/34/673588934.db2.gz CLBVNWATCSWIBN-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000543683841 673661675 /nfs/dbraw/zinc/66/16/75/673661675.db2.gz HCIZYNGRGNGWFH-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000545473771 673771600 /nfs/dbraw/zinc/77/16/00/673771600.db2.gz WMYHJMJWBCRFFX-INIZCTEOSA-N 0 3 363.801 2.313 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601297768 673839402 /nfs/dbraw/zinc/83/94/02/673839402.db2.gz DHRZXWDLMJNZIK-UHFFFAOYSA-N 0 3 361.489 2.458 20 5 FEBDHN COc1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891734 673913229 /nfs/dbraw/zinc/91/32/29/673913229.db2.gz OKWJRODJJBOHEF-RDJZCZTQSA-N 0 3 350.415 2.403 20 5 FEBDHN CCS(=O)(=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819210310 675270181 /nfs/dbraw/zinc/27/01/81/675270181.db2.gz BZEMYYTVQXKNCU-KRWDZBQOSA-N 0 3 364.423 2.212 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000567782852 675322185 /nfs/dbraw/zinc/32/21/85/675322185.db2.gz DPFLUDBGSXRFSK-GDBMZVCRSA-N 0 3 367.471 2.262 20 5 FEBDHN CS(=O)(=O)NC1CC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000619748011 676392934 /nfs/dbraw/zinc/39/29/34/676392934.db2.gz QRYMOSHCFONQJF-UHFFFAOYSA-N 0 3 365.411 2.025 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@@H]21 ZINC000839412573 680752068 /nfs/dbraw/zinc/75/20/68/680752068.db2.gz WOFXVGIZARMCQF-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCCN1CCCCC1 ZINC000747682105 679896242 /nfs/dbraw/zinc/89/62/42/679896242.db2.gz IUVSRXLVTXWYKR-UHFFFAOYSA-N 0 3 369.805 2.007 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000832690413 680166156 /nfs/dbraw/zinc/16/61/56/680166156.db2.gz GESOGFFYGIWWGA-SKDRFNHKSA-N 0 3 354.204 2.133 20 5 FEBDHN COC(=O)C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754536015 680361797 /nfs/dbraw/zinc/36/17/97/680361797.db2.gz BPHYBNPPQGKWHF-NSHDSACASA-N 0 3 355.778 2.118 20 5 FEBDHN COC(=O)C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000754542218 680362188 /nfs/dbraw/zinc/36/21/88/680362188.db2.gz UBPVBFPWXGISNA-LBPRGKRZSA-N 0 3 355.778 2.118 20 5 FEBDHN O=C(NCC1CCN(Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398377 680459814 /nfs/dbraw/zinc/45/98/14/680459814.db2.gz CKLQQORIKAKDRS-CZUORRHYSA-N 0 3 369.824 2.473 20 5 FEBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000770369883 681014035 /nfs/dbraw/zinc/01/40/35/681014035.db2.gz IMNXDDSKMHTPNS-UHFFFAOYSA-N 0 3 369.805 2.007 20 5 FEBDHN CC([C@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872353 681158011 /nfs/dbraw/zinc/15/80/11/681158011.db2.gz HFXUBGPBQUBHJD-UVWXRNBGSA-N 0 3 350.346 2.086 20 5 FEBDHN COC(=O)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845873566 681158223 /nfs/dbraw/zinc/15/82/23/681158223.db2.gz DBZOVQIXHDNOKW-AMIZOPFISA-N 0 3 352.274 2.164 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000932475315 681251839 /nfs/dbraw/zinc/25/18/39/681251839.db2.gz SEIILZXKAALXTN-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CCN(C2CC2)C1 ZINC000932547729 681262935 /nfs/dbraw/zinc/26/29/35/681262935.db2.gz QQXFSFFDDPJAIS-SECBINFHSA-N 0 3 356.785 2.278 20 5 FEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484429 681395670 /nfs/dbraw/zinc/39/56/70/681395670.db2.gz HVLZMFQWVAZLIF-VZJVUDMVSA-N 0 3 371.821 2.359 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914397288 685506684 /nfs/dbraw/zinc/50/66/84/685506684.db2.gz TWJLXAPXIDXTJH-CYBMUJFWSA-N 0 3 350.419 2.066 20 5 FEBDHN C[C@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC(=O)OC(C)(C)C ZINC000785863231 682332239 /nfs/dbraw/zinc/33/22/39/682332239.db2.gz TXQAUARUYFEHHA-GFCCVEGCSA-N 0 3 353.423 2.341 20 5 FEBDHN NCc1cn([C@@H]2CCCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)nn1 ZINC000853016355 682364358 /nfs/dbraw/zinc/36/43/58/682364358.db2.gz ZQDDFSRMVIWPAE-GFCCVEGCSA-N 0 3 352.345 2.424 20 5 FEBDHN C[C@@H](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])N(C)C ZINC000853799428 682471269 /nfs/dbraw/zinc/47/12/69/682471269.db2.gz QJUUEKAIWJWUKN-VIFPVBQESA-N 0 3 351.375 2.343 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859221350 683058908 /nfs/dbraw/zinc/05/89/08/683058908.db2.gz JVOGBCQPEWWEPB-GFCCVEGCSA-N 0 3 355.822 2.431 20 5 FEBDHN COc1cc(CNC[C@@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000922574321 683748419 /nfs/dbraw/zinc/74/84/19/683748419.db2.gz LGZUOYSPLDTZQC-NSHDSACASA-N 0 3 363.336 2.338 20 5 FEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308473 684243589 /nfs/dbraw/zinc/24/35/89/684243589.db2.gz KBLLXHDEZMYQSZ-LDYMZIIASA-N 0 3 365.814 2.100 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000867308825 684244051 /nfs/dbraw/zinc/24/40/51/684244051.db2.gz NYLCOQSPVNFTPV-PWSUYJOCSA-N 0 3 361.851 2.270 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000867308823 684244102 /nfs/dbraw/zinc/24/41/02/684244102.db2.gz NYLCOQSPVNFTPV-CMPLNLGQSA-N 0 3 361.851 2.270 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCNCCC23CCC3)cc1[N+](=O)[O-] ZINC000883478705 687643594 /nfs/dbraw/zinc/64/35/94/687643594.db2.gz VRTPWQNYSTYZJS-UHFFFAOYSA-N 0 3 373.862 2.463 20 5 FEBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000890075263 688875479 /nfs/dbraw/zinc/87/54/79/688875479.db2.gz FPCYOCZLEWMKIS-UHFFFAOYSA-N 0 3 367.471 2.141 20 5 FEBDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164905976 721562642 /nfs/dbraw/zinc/56/26/42/721562642.db2.gz IHQXKDWKIAGPRW-HOCLYGCPSA-N 0 3 373.388 2.174 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000041362509 540017755 /nfs/dbraw/zinc/01/77/55/540017755.db2.gz ZWJCDZJESQNWAF-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047142582 540292301 /nfs/dbraw/zinc/29/23/01/540292301.db2.gz AQFIKZQXNRREHA-ZDUSSCGKSA-N 0 3 363.414 2.376 20 5 FEBDHN Cc1c(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000057065609 540766156 /nfs/dbraw/zinc/76/61/56/540766156.db2.gz ONGHXHZTBWANFR-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN CCN(CC)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000058866883 540858030 /nfs/dbraw/zinc/85/80/30/540858030.db2.gz IRPPGASWBDNTPZ-UHFFFAOYSA-N 0 3 362.352 2.484 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CCCCC1 ZINC000065771602 541259938 /nfs/dbraw/zinc/25/99/38/541259938.db2.gz LUXAYADPDATBPP-UHFFFAOYSA-N 0 3 371.441 2.484 20 5 FEBDHN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000065479572 541240470 /nfs/dbraw/zinc/24/04/70/541240470.db2.gz RKTUHTUPTRZBTQ-HNNXBMFYSA-N 0 3 363.462 2.426 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)s1 ZINC000066000906 541277438 /nfs/dbraw/zinc/27/74/38/541277438.db2.gz MOOLNLTYUAHCME-UHFFFAOYSA-N 0 3 359.473 2.295 20 5 FEBDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067419439 541461771 /nfs/dbraw/zinc/46/17/71/541461771.db2.gz BKPDHZAYKWEMKB-OAHLLOKOSA-N 0 3 362.430 2.080 20 5 FEBDHN C[C@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628388 541492637 /nfs/dbraw/zinc/49/26/37/541492637.db2.gz QVXHNOCNMVKCBI-WMLDXEAASA-N 0 3 364.446 2.048 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000068902764 541638569 /nfs/dbraw/zinc/63/85/69/541638569.db2.gz LEKGKWJAEPXKRL-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069527352 541694100 /nfs/dbraw/zinc/69/41/00/541694100.db2.gz KGQHXWMNFDWCKN-HNNXBMFYSA-N 0 3 362.430 2.010 20 5 FEBDHN O=C1CC2(CN1)CCN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000072696784 541854045 /nfs/dbraw/zinc/85/40/45/541854045.db2.gz HEHPQCARHQTOPT-UHFFFAOYSA-N 0 3 370.409 2.394 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000076639673 542303969 /nfs/dbraw/zinc/30/39/69/542303969.db2.gz VSQHQVJORWHPFX-OAHLLOKOSA-N 0 3 374.441 2.222 20 5 FEBDHN CN1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000047254451 208376778 /nfs/dbraw/zinc/37/67/78/208376778.db2.gz JWVQZDRXGLHQRS-UHFFFAOYSA-N 0 3 368.437 2.272 20 5 FEBDHN O=C(N[C@H]1CCN(C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109028044 132244297 /nfs/dbraw/zinc/24/42/97/132244297.db2.gz GVCLJAXYIMTEAM-HNNXBMFYSA-N 0 3 358.442 2.164 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCCN1CCN(C)CC1 ZINC000093962012 542946934 /nfs/dbraw/zinc/94/69/34/542946934.db2.gz PDFIBCHNQNFJFV-UHFFFAOYSA-N 0 3 362.474 2.277 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103451170 543108390 /nfs/dbraw/zinc/10/83/90/543108390.db2.gz FOTNPYMKNHHRCA-UHFFFAOYSA-N 0 3 357.414 2.194 20 5 FEBDHN C[C@@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106097869 543195241 /nfs/dbraw/zinc/19/52/41/543195241.db2.gz BQKKXQNWMJQSKH-HUUCEWRRSA-N 0 3 374.441 2.179 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cccc(Cl)c1 ZINC000116922465 543619604 /nfs/dbraw/zinc/61/96/04/543619604.db2.gz SSGQAXWXNUZIFB-UHFFFAOYSA-N 0 3 369.830 2.316 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000127571510 544000943 /nfs/dbraw/zinc/00/09/43/544000943.db2.gz XAECFSKCIYYATM-LSDHHAIUSA-N 0 3 373.457 2.052 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000132137189 544220273 /nfs/dbraw/zinc/22/02/73/544220273.db2.gz IHKFIGLCVBMZNY-HNNXBMFYSA-N 0 3 350.415 2.491 20 5 FEBDHN C[C@@H](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000133352479 544266203 /nfs/dbraw/zinc/26/62/03/544266203.db2.gz UELUKSOVDNMDRO-FNODVLLQSA-N 0 3 350.444 2.242 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134458823 544308578 /nfs/dbraw/zinc/30/85/78/544308578.db2.gz FDSWQJLRRRZZMX-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1C ZINC000152916678 544710988 /nfs/dbraw/zinc/71/09/88/544710988.db2.gz OLRRIKOLSCPOKV-HOCLYGCPSA-N 0 3 367.471 2.316 20 5 FEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCN(C)C1 ZINC000153217126 544747468 /nfs/dbraw/zinc/74/74/68/544747468.db2.gz FHWASWPQFCGZBB-ZDUSSCGKSA-N 0 3 370.247 2.452 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(OCCCO)CC2)cccc1[N+](=O)[O-] ZINC000154886224 544962636 /nfs/dbraw/zinc/96/26/36/544962636.db2.gz OKXUHPYUKJMPKQ-UHFFFAOYSA-N 0 3 365.430 2.095 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000155073904 544985020 /nfs/dbraw/zinc/98/50/20/544985020.db2.gz KEOCBNKJHLFAFG-MRXNPFEDSA-N 0 3 367.471 2.279 20 5 FEBDHN C[C@@H](CN(C)C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553704295 674280352 /nfs/dbraw/zinc/28/03/52/674280352.db2.gz OYMDUICJWMHJIB-JTQLQIEISA-N 0 3 351.794 2.156 20 5 FEBDHN CC[C@@H]1Oc2cc([C@@H](C)NCCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004648 327667776 /nfs/dbraw/zinc/66/77/76/327667776.db2.gz XJNAHBSTVSSLGG-ABAIWWIYSA-N 0 3 359.386 2.252 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(N)=O)C1CCCCC1 ZINC000182007280 327756495 /nfs/dbraw/zinc/75/64/95/327756495.db2.gz LXXPKNFYIBJITC-MRXNPFEDSA-N 0 3 362.430 2.256 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000184403674 327866069 /nfs/dbraw/zinc/86/60/69/327866069.db2.gz MFKRSJGESUYVGQ-INIZCTEOSA-N 0 3 367.471 2.375 20 5 FEBDHN COCCN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184738431 327881384 /nfs/dbraw/zinc/88/13/84/327881384.db2.gz NJIJYIOCOBDCAK-UHFFFAOYSA-N 0 3 370.837 2.158 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000186649770 327973319 /nfs/dbraw/zinc/97/33/19/327973319.db2.gz KVTMAGUWKIAXNP-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187186869 328007683 /nfs/dbraw/zinc/00/76/83/328007683.db2.gz JXFYKGKEDHQBIA-SCLBCKFNSA-N 0 3 359.430 2.297 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000188262589 328076599 /nfs/dbraw/zinc/07/65/99/328076599.db2.gz UVDZZKXKCSIVBC-UHFFFAOYSA-N 0 3 371.459 2.100 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c1C ZINC000189129681 328130151 /nfs/dbraw/zinc/13/01/51/328130151.db2.gz KGYBFECDEAOGCI-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN COC(=O)C[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189252718 328137323 /nfs/dbraw/zinc/13/73/23/328137323.db2.gz OULRFNLGOQVZNP-LLVKDONJSA-N 0 3 353.350 2.090 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@@H](OC)C1 ZINC000189346575 328142019 /nfs/dbraw/zinc/14/20/19/328142019.db2.gz XUEJIGSJNFNCPA-WBMJQRKESA-N 0 3 351.403 2.289 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@@H](OC)C1 ZINC000189346599 328142071 /nfs/dbraw/zinc/14/20/71/328142071.db2.gz XUEJIGSJNFNCPA-LRDDRELGSA-N 0 3 351.403 2.289 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000189444816 328148759 /nfs/dbraw/zinc/14/87/59/328148759.db2.gz NZYXSTBTTGYTIY-AWEZNQCLSA-N 0 3 366.462 2.298 20 5 FEBDHN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000191257297 328257033 /nfs/dbraw/zinc/25/70/33/328257033.db2.gz ASYRGLOQASMEGZ-GUYCJALGSA-N 0 3 370.409 2.341 20 5 FEBDHN CCC(CC)(CN[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192700798 328334148 /nfs/dbraw/zinc/33/41/48/328334148.db2.gz YZHYIRANCYGCAL-GFCCVEGCSA-N 0 3 351.403 2.491 20 5 FEBDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000193106244 328357945 /nfs/dbraw/zinc/35/79/45/328357945.db2.gz TUELMSNAXQKFAI-GFCCVEGCSA-N 0 3 374.235 2.292 20 5 FEBDHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080196109 325122417 /nfs/dbraw/zinc/12/24/17/325122417.db2.gz PFFVPBIEFDXYNR-UHFFFAOYSA-N 0 3 364.446 2.360 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000090589646 325364893 /nfs/dbraw/zinc/36/48/93/325364893.db2.gz FUISCXSMQIGUIW-SFHVURJKSA-N 0 3 357.410 2.030 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116756842 326031976 /nfs/dbraw/zinc/03/19/76/326031976.db2.gz UHVGKUYOKLBNBM-LBPRGKRZSA-N 0 3 355.822 2.475 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000120679721 326278178 /nfs/dbraw/zinc/27/81/78/326278178.db2.gz GDNDYMGDWZEINT-PWSUYJOCSA-N 0 3 368.821 2.128 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120954587 326302095 /nfs/dbraw/zinc/30/20/95/326302095.db2.gz CGDKQXUJEYFJJM-HZPDHXFCSA-N 0 3 367.471 2.026 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122421847 326396088 /nfs/dbraw/zinc/39/60/88/326396088.db2.gz IHHBWEXPUPPJOC-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)cc1[N+](=O)[O-] ZINC000122811562 326409940 /nfs/dbraw/zinc/40/99/40/326409940.db2.gz KTQAMLIUXPQUHF-INIZCTEOSA-N 0 3 362.430 2.078 20 5 FEBDHN O=C(CN1CCN(C2CCCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000141716986 326665043 /nfs/dbraw/zinc/66/50/43/326665043.db2.gz YWDZNUYDINTYPF-UHFFFAOYSA-N 0 3 372.469 2.434 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000143140099 326665409 /nfs/dbraw/zinc/66/54/09/326665409.db2.gz LOLKEZFABKWFBG-KRWDZBQOSA-N 0 3 357.414 2.053 20 5 FEBDHN Cc1cc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000172018281 327176336 /nfs/dbraw/zinc/17/63/36/327176336.db2.gz ZZJCKXJESJMCMQ-CYBMUJFWSA-N 0 3 355.460 2.304 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000173261913 327244907 /nfs/dbraw/zinc/24/49/07/327244907.db2.gz DPTKRTHNMONDTQ-HIFRSBDPSA-N 0 3 355.460 2.254 20 5 FEBDHN CC[C@@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000173457524 327258572 /nfs/dbraw/zinc/25/85/72/327258572.db2.gz IXENDVPWOYGOMT-QGZVFWFLSA-N 0 3 374.441 2.181 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173828179 327287109 /nfs/dbraw/zinc/28/71/09/327287109.db2.gz AAKBMMJSKXQFMR-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176695942 327470720 /nfs/dbraw/zinc/47/07/20/327470720.db2.gz ZASNQLJFYYHVES-GJZGRUSLSA-N 0 3 364.446 2.012 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000178209344 327572241 /nfs/dbraw/zinc/57/22/41/327572241.db2.gz VLZOAWBDVQBOAA-UHFFFAOYSA-N 0 3 357.414 2.202 20 5 FEBDHN Cc1nn(CCC(=O)Nc2ccc3c(c2F)CCNC3)c(C)c1[N+](=O)[O-] ZINC000261642580 328808168 /nfs/dbraw/zinc/80/81/68/328808168.db2.gz CHIQFRIEZXREEH-UHFFFAOYSA-N 0 3 361.377 2.222 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000264310900 329009166 /nfs/dbraw/zinc/00/91/66/329009166.db2.gz YWEYBAZWQRWSTB-UHFFFAOYSA-N 0 3 372.425 2.090 20 5 FEBDHN COc1ccc(NC(=O)CN2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264645619 329044172 /nfs/dbraw/zinc/04/41/72/329044172.db2.gz WEURDPCCVYCOEM-CQSZACIVSA-N 0 3 362.430 2.102 20 5 FEBDHN COc1ccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000265220315 329103592 /nfs/dbraw/zinc/10/35/92/329103592.db2.gz KOEUWTXCBNOZLC-AWEZNQCLSA-N 0 3 350.419 2.087 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000266348200 329213704 /nfs/dbraw/zinc/21/37/04/329213704.db2.gz JBSFPERJLMKFSM-CQSZACIVSA-N 0 3 370.400 2.412 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCCCO1 ZINC000266713156 329252229 /nfs/dbraw/zinc/25/22/29/329252229.db2.gz JREDNKORTQAKLY-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN CN(C)[C@]1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCSC1 ZINC000267136232 329295458 /nfs/dbraw/zinc/29/54/58/329295458.db2.gz SRJFNPDXDPVNFX-KRWDZBQOSA-N 0 3 364.471 2.336 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267437878 329327546 /nfs/dbraw/zinc/32/75/46/329327546.db2.gz NXUJMMFVZKACDL-YOEHRIQHSA-N 0 3 371.441 2.127 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000270373418 329595182 /nfs/dbraw/zinc/59/51/82/329595182.db2.gz NHQDHRLWLVNFKZ-QGZVFWFLSA-N 0 3 362.455 2.172 20 5 FEBDHN CS[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1N(C)C ZINC000270671314 329620789 /nfs/dbraw/zinc/62/07/89/329620789.db2.gz RMWOIASFIHTCEY-UONOGXRCSA-N 0 3 363.443 2.122 20 5 FEBDHN COc1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc(OC)c1OC ZINC000271831172 329728823 /nfs/dbraw/zinc/72/88/23/329728823.db2.gz XBOVBAGCJQHISL-NSHDSACASA-N 0 3 350.375 2.168 20 5 FEBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379400 329860122 /nfs/dbraw/zinc/86/01/22/329860122.db2.gz HGTKZWXJHMBNDG-CMPLNLGQSA-N 0 3 356.220 2.491 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000273520495 329871425 /nfs/dbraw/zinc/87/14/25/329871425.db2.gz PIXWILVWDMGSMC-HOTGVXAUSA-N 0 3 365.455 2.255 20 5 FEBDHN CN(C)CCc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275871102 330098291 /nfs/dbraw/zinc/09/82/91/330098291.db2.gz PWENTOSHORJBGV-UHFFFAOYSA-N 0 3 370.409 2.067 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1C ZINC000158423158 545859365 /nfs/dbraw/zinc/85/93/65/545859365.db2.gz LEVCSZOABGJFSX-KBPBESRZSA-N 0 3 357.414 2.335 20 5 FEBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000158573862 545873162 /nfs/dbraw/zinc/87/31/62/545873162.db2.gz VBVNWDUAWFUPID-GFCCVEGCSA-N 0 3 371.434 2.371 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160218733 546018907 /nfs/dbraw/zinc/01/89/07/546018907.db2.gz ISJMHUJCFFQIJO-DZGCQCFKSA-N 0 3 367.471 2.038 20 5 FEBDHN NC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000479202256 561184427 /nfs/dbraw/zinc/18/44/27/561184427.db2.gz BLTFTYVPFDLATR-GOSISDBHSA-N 0 3 372.400 2.125 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000175083461 546306066 /nfs/dbraw/zinc/30/60/66/546306066.db2.gz UURLAVQFEGAIGS-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1OC ZINC000177205868 546569560 /nfs/dbraw/zinc/56/95/60/546569560.db2.gz DVBYBEWPPVXCAJ-NWDGAFQWSA-N 0 3 363.414 2.357 20 5 FEBDHN COc1cc(N2CCN(c3ccncc3OC)CC2)c([N+](=O)[O-])cc1F ZINC000481030198 561223344 /nfs/dbraw/zinc/22/33/44/561223344.db2.gz AMIQBWIPPIAEOB-UHFFFAOYSA-N 0 3 362.361 2.473 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000178944542 546877745 /nfs/dbraw/zinc/87/77/45/546877745.db2.gz KCOJQWGSBZXUEE-CABCVRRESA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCN1CCCCC1 ZINC000481958887 561246123 /nfs/dbraw/zinc/24/61/23/561246123.db2.gz UJYFKKVOWCLNFV-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN NC(=O)c1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505855 546966882 /nfs/dbraw/zinc/96/68/82/546966882.db2.gz YGCQKEKBFPFDPB-AWEZNQCLSA-N 0 3 370.413 2.069 20 5 FEBDHN NC(=O)c1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000179505855 546966886 /nfs/dbraw/zinc/96/68/86/546966886.db2.gz YGCQKEKBFPFDPB-AWEZNQCLSA-N 0 3 370.413 2.069 20 5 FEBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C(C)C)cc1 ZINC000179929994 547030058 /nfs/dbraw/zinc/03/00/58/547030058.db2.gz YBFRZKALKPQZRA-GOSISDBHSA-N 0 3 362.430 2.319 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N(C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181094561 547248139 /nfs/dbraw/zinc/24/81/39/547248139.db2.gz SXQTXQKHMNTEEW-ZDUSSCGKSA-N 0 3 361.402 2.149 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000181162709 547262046 /nfs/dbraw/zinc/26/20/46/547262046.db2.gz OPNMNGZPTVJOQF-XNJGSVPQSA-N 0 3 360.414 2.029 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181290301 547288147 /nfs/dbraw/zinc/28/81/47/547288147.db2.gz MKPAMSZZBLIWES-HNNXBMFYSA-N 0 3 367.413 2.456 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000182851035 547561941 /nfs/dbraw/zinc/56/19/41/547561941.db2.gz NUNJJZURVKYPKM-MAUKXSAKSA-N 0 3 360.458 2.203 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000184570431 547847932 /nfs/dbraw/zinc/84/79/32/547847932.db2.gz XFOXNBZCJOGMFC-UKRRQHHQSA-N 0 3 355.460 2.087 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000185527416 547998216 /nfs/dbraw/zinc/99/82/16/547998216.db2.gz BWIVJQAJXSDVDA-QGZVFWFLSA-N 0 3 372.421 2.318 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000485594056 561323478 /nfs/dbraw/zinc/32/34/78/561323478.db2.gz UJSVDJLRLRYCAO-LBPRGKRZSA-N 0 3 366.393 2.451 20 5 FEBDHN CC(C)CN1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185979326 548068563 /nfs/dbraw/zinc/06/85/63/548068563.db2.gz SRSKNFHPHADHTF-CQSZACIVSA-N 0 3 355.460 2.241 20 5 FEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186779190 548191345 /nfs/dbraw/zinc/19/13/45/548191345.db2.gz CAGDMCBGDOXYRM-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC1 ZINC000187010567 548239805 /nfs/dbraw/zinc/23/98/05/548239805.db2.gz WWAHWTFSQSVEEH-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCN1CCN(c2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2)CC1 ZINC000194022962 548423938 /nfs/dbraw/zinc/42/39/38/548423938.db2.gz SRMGRVHATSAIGW-UHFFFAOYSA-N 0 3 371.397 2.090 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000247217274 549300925 /nfs/dbraw/zinc/30/09/25/549300925.db2.gz XJMNXUDVPWQHNL-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000248342060 549420968 /nfs/dbraw/zinc/42/09/68/549420968.db2.gz JHLKFLMAMMEMHR-UKRRQHHQSA-N 0 3 355.460 2.172 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000248454778 549442902 /nfs/dbraw/zinc/44/29/02/549442902.db2.gz KMELUXVLZOCLBA-AEFFLSMTSA-N 0 3 372.421 2.316 20 5 FEBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000248825512 549507578 /nfs/dbraw/zinc/50/75/78/549507578.db2.gz XBIFHGIYYFPQBV-NEPJUHHUSA-N 0 3 350.341 2.063 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000249227595 549571384 /nfs/dbraw/zinc/57/13/84/549571384.db2.gz VDTXMRBXDQETLM-GJZGRUSLSA-N 0 3 374.441 2.235 20 5 FEBDHN CCc1ccc([C@@H]2CNCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000261889126 549767034 /nfs/dbraw/zinc/76/70/34/549767034.db2.gz ZLAJELPQBCTSSW-IBGZPJMESA-N 0 3 368.437 2.403 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000263946103 549958654 /nfs/dbraw/zinc/95/86/54/549958654.db2.gz JOXBVUHIIRNWOB-UHFFFAOYSA-N 0 3 350.419 2.229 20 5 FEBDHN Cc1nnc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000268500455 550077652 /nfs/dbraw/zinc/07/76/52/550077652.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 0 3 359.386 2.267 20 5 FEBDHN CNS(=O)(=O)c1cccc([C@H](C)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000268892507 550128126 /nfs/dbraw/zinc/12/81/26/550128126.db2.gz AUOGNBGGGGDYJZ-ZDUSSCGKSA-N 0 3 363.439 2.396 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121253 550157756 /nfs/dbraw/zinc/15/77/56/550157756.db2.gz DBWPSLLWCWILJR-MAUKXSAKSA-N 0 3 356.426 2.492 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270785278 550306692 /nfs/dbraw/zinc/30/66/92/550306692.db2.gz VBZDCAGFFBXQTG-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN Cc1ccccc1CN1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270904528 550319525 /nfs/dbraw/zinc/31/95/25/550319525.db2.gz AGXXCYWBRIMYLE-UHFFFAOYSA-N 0 3 357.414 2.031 20 5 FEBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248347 561465681 /nfs/dbraw/zinc/46/56/81/561465681.db2.gz QXANNAAHNVWJKN-YMTOWFKASA-N 0 3 372.219 2.453 20 5 FEBDHN C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000272099431 550422976 /nfs/dbraw/zinc/42/29/76/550422976.db2.gz LBGJSOJCQHAYBT-ZDUSSCGKSA-N 0 3 358.398 2.421 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272333054 550438252 /nfs/dbraw/zinc/43/82/52/550438252.db2.gz AKOJLTMDAYYHMM-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000272504425 550454217 /nfs/dbraw/zinc/45/42/17/550454217.db2.gz JFNACHLCXBCLEG-LBPRGKRZSA-N 0 3 361.427 2.300 20 5 FEBDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272911352 550476409 /nfs/dbraw/zinc/47/64/09/550476409.db2.gz GJGYGZOHPNOABU-AWEZNQCLSA-N 0 3 360.366 2.195 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000273520501 550501567 /nfs/dbraw/zinc/50/15/67/550501567.db2.gz PIXWILVWDMGSMC-JKSUJKDBSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1ccsc1[C@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637508 561473049 /nfs/dbraw/zinc/47/30/49/561473049.db2.gz OVLIGOXUULXBQG-HIFRSBDPSA-N 0 3 352.412 2.028 20 5 FEBDHN COC(=O)c1cnc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785787 550595622 /nfs/dbraw/zinc/59/56/22/550595622.db2.gz OXFAFAFGRGMTAI-CHWSQXEVSA-N 0 3 366.418 2.078 20 5 FEBDHN CN1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277133241 550635691 /nfs/dbraw/zinc/63/56/91/550635691.db2.gz GQJRAGHOXMAPFY-UHFFFAOYSA-N 0 3 354.204 2.349 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000277545360 550682680 /nfs/dbraw/zinc/68/26/80/550682680.db2.gz NRGYKSFZUFGQOR-CQSZACIVSA-N 0 3 363.414 2.115 20 5 FEBDHN O=C(c1ccoc1)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278771939 550820258 /nfs/dbraw/zinc/82/02/58/550820258.db2.gz URHQIEYJSZFNTA-UHFFFAOYSA-N 0 3 369.381 2.459 20 5 FEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281108713 551064113 /nfs/dbraw/zinc/06/41/13/551064113.db2.gz GDOVWGYLZGHMJQ-SECBINFHSA-N 0 3 365.814 2.102 20 5 FEBDHN CN1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284650639 551598641 /nfs/dbraw/zinc/59/86/41/551598641.db2.gz WTMHZEXPPBLHKE-ZIAGYGMSSA-N 0 3 356.220 2.267 20 5 FEBDHN CN1CC[C@@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284650635 551598751 /nfs/dbraw/zinc/59/87/51/551598751.db2.gz WTMHZEXPPBLHKE-KGLIPLIRSA-N 0 3 356.220 2.267 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247893 551865545 /nfs/dbraw/zinc/86/55/45/551865545.db2.gz SBCFOVFFTXUEFA-GXTWGEPZSA-N 0 3 351.403 2.073 20 5 FEBDHN C[C@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000286314472 551872882 /nfs/dbraw/zinc/87/28/82/551872882.db2.gz CZTDKHYNGVJHNR-CQSZACIVSA-N 0 3 369.219 2.051 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286729320 551919728 /nfs/dbraw/zinc/91/97/28/551919728.db2.gz FMFWFCGODQBGEH-NSHDSACASA-N 0 3 350.448 2.037 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733713 551920230 /nfs/dbraw/zinc/92/02/30/551920230.db2.gz OBRRFYZOZWKARN-WMLDXEAASA-N 0 3 367.471 2.026 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286878503 551935898 /nfs/dbraw/zinc/93/58/98/551935898.db2.gz ZEAMPPSDYLREAW-XJKSGUPXSA-N 0 3 353.444 2.151 20 5 FEBDHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c(C)c1OC ZINC000286953708 551944182 /nfs/dbraw/zinc/94/41/82/551944182.db2.gz MSZQEUTUHLYVFI-ZDUSSCGKSA-N 0 3 361.398 2.433 20 5 FEBDHN C[C@@H](CN(C)C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000288143850 552099263 /nfs/dbraw/zinc/09/92/63/552099263.db2.gz YOEWGVJLPLWZSC-ZDUSSCGKSA-N 0 3 350.419 2.098 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000288273130 552123491 /nfs/dbraw/zinc/12/34/91/552123491.db2.gz GYMOUXPHAMKHBU-OLZOCXBDSA-N 0 3 363.414 2.311 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000289764229 552374926 /nfs/dbraw/zinc/37/49/26/552374926.db2.gz VRFROSLPDNIEKR-INIZCTEOSA-N 0 3 359.430 2.298 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000500808007 561583106 /nfs/dbraw/zinc/58/31/06/561583106.db2.gz LIIZSAYAVYERBK-GJZGRUSLSA-N 0 3 369.487 2.320 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCOC2)c1 ZINC000290008403 552413345 /nfs/dbraw/zinc/41/33/45/552413345.db2.gz YUBRVSNXEMKAMT-NSHDSACASA-N 0 3 362.167 2.468 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290150754 552435287 /nfs/dbraw/zinc/43/52/87/552435287.db2.gz VTFKVICBOUPXGU-CYBMUJFWSA-N 0 3 350.419 2.078 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808872 552541846 /nfs/dbraw/zinc/54/18/46/552541846.db2.gz QXUROIIBLIMMFF-CZUORRHYSA-N 0 3 369.425 2.411 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292153324 552698864 /nfs/dbraw/zinc/69/88/64/552698864.db2.gz ISINMOAQTUNOGI-LJQANCHMSA-N 0 3 358.442 2.363 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292171194 552701157 /nfs/dbraw/zinc/70/11/57/552701157.db2.gz PSAPJTMDYFXGQH-DOTOQJQBSA-N 0 3 350.415 2.083 20 5 FEBDHN CC(C)[C@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962700 552775334 /nfs/dbraw/zinc/77/53/34/552775334.db2.gz FVIVYWVQZBEGBX-MAUKXSAKSA-N 0 3 352.431 2.065 20 5 FEBDHN COc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1OC ZINC000294329824 552897516 /nfs/dbraw/zinc/89/75/16/552897516.db2.gz XKUJKNKLJBBYJZ-GOSISDBHSA-N 0 3 363.414 2.170 20 5 FEBDHN CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039551 561610518 /nfs/dbraw/zinc/61/05/18/561610518.db2.gz CIRRJFNNWQVEKY-KGLIPLIRSA-N 0 3 355.460 2.432 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000295399996 553000095 /nfs/dbraw/zinc/00/00/95/553000095.db2.gz SINZRPGPNWEJJZ-YOGCLGLASA-N 0 3 373.862 2.460 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000295988329 553085510 /nfs/dbraw/zinc/08/55/10/553085510.db2.gz KMVJQYUEPKDAKA-AEFFLSMTSA-N 0 3 362.426 2.226 20 5 FEBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298184664 553395013 /nfs/dbraw/zinc/39/50/13/553395013.db2.gz ALOLFPIYHGRBEG-MSOLQXFVSA-N 0 3 362.426 2.427 20 5 FEBDHN C[C@@H]1C[C@@]1(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382529 561640291 /nfs/dbraw/zinc/64/02/91/561640291.db2.gz IMKPTDPHNKTRII-LYRGGWFBSA-N 0 3 350.806 2.331 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000298254616 553404308 /nfs/dbraw/zinc/40/43/08/553404308.db2.gz UQZHMPRKFLMDGX-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN O=C1[C@@H](N[C@@H]2CCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000503531268 561643949 /nfs/dbraw/zinc/64/39/49/561643949.db2.gz VXWXYGSUCIMQBP-HZSPNIEDSA-N 0 3 355.341 2.450 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113339 553517218 /nfs/dbraw/zinc/51/72/18/553517218.db2.gz ZDRMXGGLAYCDLY-OLZOCXBDSA-N 0 3 363.414 2.216 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299145436 553521404 /nfs/dbraw/zinc/52/14/04/553521404.db2.gz QHPSSZBPRCWPCG-KBPBESRZSA-N 0 3 372.429 2.026 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301288948 553639745 /nfs/dbraw/zinc/63/97/45/553639745.db2.gz MWEQLYWUDZYNNE-AWEZNQCLSA-N 0 3 371.441 2.337 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCN2CCCCC2)c1C ZINC000302813942 553734083 /nfs/dbraw/zinc/73/40/83/553734083.db2.gz MDVCKZJEKCBJQH-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303088726 553744138 /nfs/dbraw/zinc/74/41/38/553744138.db2.gz YSFGAYYGCPDWIK-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1C ZINC000331382975 554254820 /nfs/dbraw/zinc/25/48/20/554254820.db2.gz BQTPYDQCNHTUBK-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN CCN1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331964744 554354227 /nfs/dbraw/zinc/35/42/27/554354227.db2.gz APVJPNFNXCTMGY-OKILXGFUSA-N 0 3 362.430 2.307 20 5 FEBDHN CCN1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000332056204 554371310 /nfs/dbraw/zinc/37/13/10/554371310.db2.gz OSYDOFVUMZKWRX-UONOGXRCSA-N 0 3 362.430 2.307 20 5 FEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000332383325 554435738 /nfs/dbraw/zinc/43/57/38/554435738.db2.gz HTTKZOSWXNAUJT-CQSZACIVSA-N 0 3 350.438 2.334 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508728 554458895 /nfs/dbraw/zinc/45/88/95/554458895.db2.gz HAPKHESIZUIDPI-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000510541697 561838299 /nfs/dbraw/zinc/83/82/99/561838299.db2.gz TVCRGQUHQZHJBQ-KSSFIOAISA-N 0 3 359.430 2.297 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702015 554668237 /nfs/dbraw/zinc/66/82/37/554668237.db2.gz TUMDNNLHEGYWCL-UHFFFAOYSA-N 0 3 373.413 2.225 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@]2(N3CCOCC3)CCCOC2)c(Cl)c1 ZINC000359958399 554857463 /nfs/dbraw/zinc/85/74/63/554857463.db2.gz JQNRHVTXHIQXDA-QGZVFWFLSA-N 0 3 369.849 2.219 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942222 554857662 /nfs/dbraw/zinc/85/76/62/554857662.db2.gz RKZCULSRISTJBM-KGLIPLIRSA-N 0 3 362.430 2.101 20 5 FEBDHN COC(=O)c1ccoc1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363152003 555041143 /nfs/dbraw/zinc/04/11/43/555041143.db2.gz PGYQTEKMZJSLPL-UHFFFAOYSA-N 0 3 362.386 2.126 20 5 FEBDHN O=C(CCN1CCC(NC(=O)C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363191630 555049691 /nfs/dbraw/zinc/04/96/91/555049691.db2.gz AILJMSVARAMREU-UHFFFAOYSA-N 0 3 374.441 2.304 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(CCc2ccncc2)CC1 ZINC000363418103 555100431 /nfs/dbraw/zinc/10/04/31/555100431.db2.gz DVSQPNYNKUIVHA-UHFFFAOYSA-N 0 3 368.437 2.356 20 5 FEBDHN Cc1cnn(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000363679185 555162704 /nfs/dbraw/zinc/16/27/04/555162704.db2.gz RZPULYVPAVVVHK-INIZCTEOSA-N 0 3 360.414 2.177 20 5 FEBDHN N[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000364204466 555269266 /nfs/dbraw/zinc/26/92/66/555269266.db2.gz KWHZOOVOXRBGMQ-SJORKVTESA-N 0 3 359.357 2.066 20 5 FEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000366343319 555816655 /nfs/dbraw/zinc/81/66/55/555816655.db2.gz RZQVBPCKWGDACE-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000514028383 561958388 /nfs/dbraw/zinc/95/83/88/561958388.db2.gz DLUOZTHJOYZYPP-CABCVRRESA-N 0 3 363.462 2.426 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCO[C@@H]3CCCCO3)C2)nc1 ZINC000514082743 561959877 /nfs/dbraw/zinc/95/98/77/561959877.db2.gz JJHKVFXSVKODIZ-WMLDXEAASA-N 0 3 350.419 2.409 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000366697767 555911907 /nfs/dbraw/zinc/91/19/07/555911907.db2.gz RBPWVELKRWFQBO-HUUCEWRRSA-N 0 3 357.414 2.104 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ncccc2C1 ZINC000367859769 556157629 /nfs/dbraw/zinc/15/76/29/556157629.db2.gz QNPFTRHSBLQSKR-UHFFFAOYSA-N 0 3 356.382 2.385 20 5 FEBDHN CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000368407336 556299026 /nfs/dbraw/zinc/29/90/26/556299026.db2.gz NGWSRLLVDRWETO-WBVHZDCISA-N 0 3 363.462 2.465 20 5 FEBDHN CO[C@@](C)(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638169 562017981 /nfs/dbraw/zinc/01/79/81/562017981.db2.gz UXUONZORHFDNLR-APWZRJJASA-N 0 3 360.410 2.486 20 5 FEBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H]1c1cccs1 ZINC000369560302 556631641 /nfs/dbraw/zinc/63/16/41/556631641.db2.gz GBIQADBWCOEUKB-YGRLFVJLSA-N 0 3 361.427 2.255 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370502173 556892595 /nfs/dbraw/zinc/89/25/95/556892595.db2.gz APDMFGZVSDJUSK-MRXNPFEDSA-N 0 3 371.393 2.329 20 5 FEBDHN CC(C)[C@](C)(CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000516919665 562064798 /nfs/dbraw/zinc/06/47/98/562064798.db2.gz QCSIETHAJAXSOC-AWEZNQCLSA-N 0 3 374.235 2.292 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCCN2CCCN(c3ncccn3)CC2)cc1 ZINC000371640674 557247690 /nfs/dbraw/zinc/24/76/90/557247690.db2.gz WNBHTGBMROJJAW-UHFFFAOYSA-N 0 3 357.414 2.366 20 5 FEBDHN CC(C)[C@@H]1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034993 562123765 /nfs/dbraw/zinc/12/37/65/562123765.db2.gz IPOCOYJLKYHJSW-PBHICJAKSA-N 0 3 370.471 2.409 20 5 FEBDHN CCc1ccc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000372739707 557551516 /nfs/dbraw/zinc/55/15/16/557551516.db2.gz LFFZMTSQCNASLU-SFHVURJKSA-N 0 3 374.485 2.398 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000373154635 557639959 /nfs/dbraw/zinc/63/99/59/557639959.db2.gz SYUVYPPUMQLBGH-LBPRGKRZSA-N 0 3 361.427 2.300 20 5 FEBDHN CCCN1CCCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000374222934 557846222 /nfs/dbraw/zinc/84/62/22/557846222.db2.gz JTZUPHDXZUDTII-UHFFFAOYSA-N 0 3 363.414 2.329 20 5 FEBDHN CN(C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccn1 ZINC000521063785 562168978 /nfs/dbraw/zinc/16/89/78/562168978.db2.gz ZMURDMSKHXHKAO-UHFFFAOYSA-N 0 3 354.414 2.430 20 5 FEBDHN Nc1nc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000374758593 557926777 /nfs/dbraw/zinc/92/67/77/557926777.db2.gz HFLKXQOQGIEMIC-CABCVRRESA-N 0 3 354.414 2.210 20 5 FEBDHN COc1cccc([C@@H]2[C@@H](NCc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850213 557940586 /nfs/dbraw/zinc/94/05/86/557940586.db2.gz KVBGPXUPSKFCFU-FUHWJXTLSA-N 0 3 371.441 2.405 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010347 557963851 /nfs/dbraw/zinc/96/38/51/557963851.db2.gz APZYLWIHIHNSGP-SOLBZPMBSA-N 0 3 364.442 2.473 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CCOCC3)CC2)c1 ZINC000375270880 558002150 /nfs/dbraw/zinc/00/21/50/558002150.db2.gz ABKIHFJOJNSHPE-INIZCTEOSA-N 0 3 350.415 2.227 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000521943325 562187081 /nfs/dbraw/zinc/18/70/81/562187081.db2.gz VTQRPBFKDRQOSS-CQSZACIVSA-N 0 3 357.476 2.177 20 5 FEBDHN C[C@H](CO)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377841405 558432966 /nfs/dbraw/zinc/43/29/66/558432966.db2.gz AREMPJDNTHOCJG-LLVKDONJSA-N 0 3 356.810 2.169 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303266 558524475 /nfs/dbraw/zinc/52/44/75/558524475.db2.gz CIPSJWACQMXROL-SJORKVTESA-N 0 3 371.441 2.012 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408375863 558672162 /nfs/dbraw/zinc/67/21/62/558672162.db2.gz UNEKYKMVGXLKKE-KBPBESRZSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000411211568 558853970 /nfs/dbraw/zinc/85/39/70/558853970.db2.gz IGTFEKAMGUVCQT-CQSZACIVSA-N 0 3 374.441 2.283 20 5 FEBDHN CN(C)C(=O)C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000411782028 558961920 /nfs/dbraw/zinc/96/19/20/558961920.db2.gz HQRKZUWJINLRTH-UHFFFAOYSA-N 0 3 362.430 2.304 20 5 FEBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328561 559028174 /nfs/dbraw/zinc/02/81/74/559028174.db2.gz CCEFNYDNQWCGHU-WCQYABFASA-N 0 3 361.402 2.484 20 5 FEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000413966058 559143916 /nfs/dbraw/zinc/14/39/16/559143916.db2.gz YGXPPKQFYSCGGT-UHFFFAOYSA-N 0 3 374.397 2.500 20 5 FEBDHN CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000413990490 559145430 /nfs/dbraw/zinc/14/54/30/559145430.db2.gz OWXQWLWZLUDQBH-NVXWUHKLSA-N 0 3 372.425 2.190 20 5 FEBDHN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000413990490 559145431 /nfs/dbraw/zinc/14/54/31/559145431.db2.gz OWXQWLWZLUDQBH-NVXWUHKLSA-N 0 3 372.425 2.190 20 5 FEBDHN COc1cc(CN2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414766143 559186339 /nfs/dbraw/zinc/18/63/39/559186339.db2.gz DBAQSGVBHWWLBR-OAHLLOKOSA-N 0 3 363.336 2.338 20 5 FEBDHN Cc1cc(S(=O)(=O)NC[C@H](C)CN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416374562 559308276 /nfs/dbraw/zinc/30/82/76/559308276.db2.gz UBJXLUYGVYFBHV-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN CCOCCOC[C@@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319369 559357275 /nfs/dbraw/zinc/35/72/75/559357275.db2.gz BYSRZNQGWSJHAJ-FUHWJXTLSA-N 0 3 352.431 2.366 20 5 FEBDHN N[C@@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000418456106 559402398 /nfs/dbraw/zinc/40/23/98/559402398.db2.gz SHWSCHNCUPUVMU-SFHVURJKSA-N 0 3 369.425 2.126 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1 ZINC000420423804 559486984 /nfs/dbraw/zinc/48/69/84/559486984.db2.gz HBKIALSDRXEJJV-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420446198 559487810 /nfs/dbraw/zinc/48/78/10/559487810.db2.gz SXRCHULFLHOUCB-QMMMGPOBSA-N 0 3 355.338 2.019 20 5 FEBDHN [NH3+]CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000420462538 559488729 /nfs/dbraw/zinc/48/87/29/559488729.db2.gz NBUDTSVROQXVOJ-GFCCVEGCSA-N 0 3 355.441 2.415 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421403832 559541284 /nfs/dbraw/zinc/54/12/84/559541284.db2.gz YBIQKCJNAVIWKR-CQSZACIVSA-N 0 3 366.414 2.131 20 5 FEBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000423995310 559649675 /nfs/dbraw/zinc/64/96/75/559649675.db2.gz UYJHKGBEVCZXJA-HNNXBMFYSA-N 0 3 357.366 2.105 20 5 FEBDHN NC(=O)c1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000425555261 559709598 /nfs/dbraw/zinc/70/95/98/559709598.db2.gz QEGKSDKLMWZAJC-KRWDZBQOSA-N 0 3 359.426 2.475 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988666 559787599 /nfs/dbraw/zinc/78/75/99/559787599.db2.gz AKLUWSOZYNPPCB-CLCXKQKWSA-N 0 3 372.469 2.146 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312174 559795679 /nfs/dbraw/zinc/79/56/79/559795679.db2.gz OHAIYUQPNHNOQU-DGCLKSJQSA-N 0 3 371.393 2.393 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432864168 559866641 /nfs/dbraw/zinc/86/66/41/559866641.db2.gz LAIRYJHWFHULMN-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN CC1(C)C[C@H](NCCNC(=O)c2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433115226 559872143 /nfs/dbraw/zinc/87/21/43/559872143.db2.gz IANTWVCJMCDRTD-HNNXBMFYSA-N 0 3 355.398 2.127 20 5 FEBDHN CC1(C)C[C@@H](NCCNC(=O)c2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433115228 559872307 /nfs/dbraw/zinc/87/23/07/559872307.db2.gz IANTWVCJMCDRTD-OAHLLOKOSA-N 0 3 355.398 2.127 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000440806071 560018629 /nfs/dbraw/zinc/01/86/29/560018629.db2.gz ZHJRRCNEJKKXMF-SECBINFHSA-N 0 3 367.349 2.034 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443653117 560089371 /nfs/dbraw/zinc/08/93/71/560089371.db2.gz LHSBLNBSYHKBLW-STQMWFEESA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)c([N+](=O)[O-])c1 ZINC000443722250 560091198 /nfs/dbraw/zinc/09/11/98/560091198.db2.gz UZVDHSWZDFMYHV-CQSZACIVSA-N 0 3 355.460 2.302 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CCN(C2CC2)C1 ZINC000448959268 560208786 /nfs/dbraw/zinc/20/87/86/560208786.db2.gz DTTZHYQRJDINIZ-HNNXBMFYSA-N 0 3 355.398 2.089 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234634 560221275 /nfs/dbraw/zinc/22/12/75/560221275.db2.gz QXZAHHNDBWUHAC-GOEBONIOSA-N 0 3 371.441 2.040 20 5 FEBDHN CCN1CCN(CC(C)(C)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449744389 560238801 /nfs/dbraw/zinc/23/88/01/560238801.db2.gz GSQHDAQVROUUHX-UHFFFAOYSA-N 0 3 350.463 2.109 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152967 560252379 /nfs/dbraw/zinc/25/23/79/560252379.db2.gz RQZRSXDDZZLIAF-DIFFPNOSSA-N 0 3 355.398 2.197 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450317376 560258388 /nfs/dbraw/zinc/25/83/88/560258388.db2.gz KFUXGYLGYJQRPK-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000451487019 560310042 /nfs/dbraw/zinc/31/00/42/560310042.db2.gz KSOAMSGRCTZZOT-WMLDXEAASA-N 0 3 351.403 2.335 20 5 FEBDHN COC[C@H](C)OC[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549628 560314114 /nfs/dbraw/zinc/31/41/14/560314114.db2.gz PTJLHMAHDHFRHT-QILLFSRXSA-N 0 3 352.431 2.187 20 5 FEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452034967 560347010 /nfs/dbraw/zinc/34/70/10/560347010.db2.gz MTWHECHMSVYTLM-GDBMZVCRSA-N 0 3 351.403 2.479 20 5 FEBDHN C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN(C2CC2)C1 ZINC000452172350 560354459 /nfs/dbraw/zinc/35/44/59/560354459.db2.gz WGDLMWIXPRXFOQ-CQSZACIVSA-N 0 3 369.425 2.337 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452358052 560360040 /nfs/dbraw/zinc/36/00/40/560360040.db2.gz FSVCDOYLNSZMRH-FUHWJXTLSA-N 0 3 363.458 2.127 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452386275 560362472 /nfs/dbraw/zinc/36/24/72/560362472.db2.gz WQCKOJGTWWMTSS-DLBZAZTESA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000455251766 560475686 /nfs/dbraw/zinc/47/56/86/560475686.db2.gz TWHAVAJDLOYXNT-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456055699 560505637 /nfs/dbraw/zinc/50/56/37/560505637.db2.gz TVXGZIKUWWYWMO-UKRRQHHQSA-N 0 3 369.425 2.424 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000457112391 560550044 /nfs/dbraw/zinc/55/00/44/560550044.db2.gz JIIUHUVSFMBDBU-KRWDZBQOSA-N 0 3 357.414 2.335 20 5 FEBDHN O=C(CNC1(CO)CCSCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459718449 560704270 /nfs/dbraw/zinc/70/42/70/560704270.db2.gz UXWFXUAHXZNTAR-UHFFFAOYSA-N 0 3 359.835 2.034 20 5 FEBDHN NC(=O)c1ccnc(N(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000461886802 560786426 /nfs/dbraw/zinc/78/64/26/560786426.db2.gz CRSALYWLEIBGCJ-UHFFFAOYSA-N 0 3 361.446 2.324 20 5 FEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464424816 560841515 /nfs/dbraw/zinc/84/15/15/560841515.db2.gz ICZNNPTVCZFYPN-UHFFFAOYSA-N 0 3 366.443 2.153 20 5 FEBDHN COc1cc(NC2CCN(CCC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000467798123 560917648 /nfs/dbraw/zinc/91/76/48/560917648.db2.gz LGWNEOIJKPBVGZ-UHFFFAOYSA-N 0 3 368.409 2.097 20 5 FEBDHN CCN(CCCN(C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000468613204 560934014 /nfs/dbraw/zinc/93/40/14/560934014.db2.gz RQPKCKYQDFSXIX-UHFFFAOYSA-N 0 3 359.430 2.337 20 5 FEBDHN CCN(CC)S(=O)(=O)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468655296 560935165 /nfs/dbraw/zinc/93/51/65/560935165.db2.gz JCWVPFTVAJPFRW-SDNWHVSQSA-N 0 3 355.460 2.259 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472554732 561029178 /nfs/dbraw/zinc/02/91/78/561029178.db2.gz CRTPDFDEVNHRNV-UHFFFAOYSA-N 0 3 374.372 2.050 20 5 FEBDHN CN(C)CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000472724433 561033766 /nfs/dbraw/zinc/03/37/66/561033766.db2.gz PJPWVIQSQPZDIP-UHFFFAOYSA-N 0 3 366.393 2.005 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](CO)c1ccsc1 ZINC000473163817 561043123 /nfs/dbraw/zinc/04/31/23/561043123.db2.gz JQKASEJFAUPETA-ZDUSSCGKSA-N 0 3 363.395 2.278 20 5 FEBDHN COC(=O)COc1ccc(CN(C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000475580455 561100308 /nfs/dbraw/zinc/10/03/08/561100308.db2.gz FJGBKHVHXJYIOH-AWEZNQCLSA-N 0 3 364.398 2.148 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000476657812 561125433 /nfs/dbraw/zinc/12/54/33/561125433.db2.gz MHQMJEBSPNXNCD-HIFRSBDPSA-N 0 3 357.414 2.111 20 5 FEBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025080 561134546 /nfs/dbraw/zinc/13/45/46/561134546.db2.gz MCIOGUXSFJKMCN-INIZCTEOSA-N 0 3 371.441 2.313 20 5 FEBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531887476 562460043 /nfs/dbraw/zinc/46/00/43/562460043.db2.gz RWGPRZIYUCPVSR-UHFFFAOYSA-N 0 3 356.382 2.199 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533948839 562522082 /nfs/dbraw/zinc/52/20/82/562522082.db2.gz XJGSVBAHTDKIAT-UHFFFAOYSA-N 0 3 374.441 2.188 20 5 FEBDHN COCCN1CCC[C@@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534494363 562535138 /nfs/dbraw/zinc/53/51/38/562535138.db2.gz BZCFALKRHAASLS-QGZVFWFLSA-N 0 3 371.441 2.305 20 5 FEBDHN Cn1ccnc1[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045394 562549435 /nfs/dbraw/zinc/54/94/35/562549435.db2.gz CELQHIIHAOTNRX-CYBMUJFWSA-N 0 3 371.397 2.116 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000535257864 562554232 /nfs/dbraw/zinc/55/42/32/562554232.db2.gz RNESWUWHPGMNGR-AWEZNQCLSA-N 0 3 371.393 2.226 20 5 FEBDHN CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000536805929 562580766 /nfs/dbraw/zinc/58/07/66/562580766.db2.gz JSGCOTIIXMWFHM-MRXNPFEDSA-N 0 3 371.441 2.141 20 5 FEBDHN CCC[C@](C)(N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569572558 568408077 /nfs/dbraw/zinc/40/80/77/568408077.db2.gz CBMJXWHQTJQKNI-SFHVURJKSA-N 0 3 374.445 2.027 20 5 FEBDHN C[N@@H+]1CCC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029196 608379055 /nfs/dbraw/zinc/37/90/55/608379055.db2.gz QIOVXQQRXWSIFL-LLVKDONJSA-N 0 3 368.401 2.077 20 5 FEBDHN C[N@H+]1CCC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029196 608379057 /nfs/dbraw/zinc/37/90/57/608379057.db2.gz QIOVXQQRXWSIFL-LLVKDONJSA-N 0 3 368.401 2.077 20 5 FEBDHN C[N@@H+]1CCC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029196 608379059 /nfs/dbraw/zinc/37/90/59/608379059.db2.gz QIOVXQQRXWSIFL-LLVKDONJSA-N 0 3 368.401 2.077 20 5 FEBDHN C[N@H+]1CCC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029196 608379061 /nfs/dbraw/zinc/37/90/61/608379061.db2.gz QIOVXQQRXWSIFL-LLVKDONJSA-N 0 3 368.401 2.077 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813101992 674719162 /nfs/dbraw/zinc/71/91/62/674719162.db2.gz MJYBVAYVVBBBKM-UKRRQHHQSA-N 0 3 350.371 2.244 20 5 FEBDHN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105663 674720003 /nfs/dbraw/zinc/72/00/03/674720003.db2.gz RIZXHEWZMMBLOO-GXFFZTMASA-N 0 3 374.846 2.400 20 5 FEBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000813105208 674720086 /nfs/dbraw/zinc/72/00/86/674720086.db2.gz KLHADBNPYGNTIJ-SKDRFNHKSA-N 0 3 353.766 2.153 20 5 FEBDHN CC(COC(=O)CSc1nncn1-c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813104972 674720182 /nfs/dbraw/zinc/72/01/82/674720182.db2.gz IJLHUMYHSKPZIA-VIFPVBQESA-N 0 3 356.791 2.221 20 5 FEBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Br)cc1 ZINC000813111655 674721020 /nfs/dbraw/zinc/72/10/20/674721020.db2.gz JYRZNVRCTZMPII-ZANVPECISA-N 0 3 373.203 2.225 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430994 674744520 /nfs/dbraw/zinc/74/45/20/674744520.db2.gz YXHKXLRBUOMMDD-GHMZBOCLSA-N 0 3 374.224 2.495 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000563753582 674935914 /nfs/dbraw/zinc/93/59/14/674935914.db2.gz KUPMZKUFNAKIHV-CJNGLKHVSA-N 0 3 355.460 2.229 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000105424397 670800798 /nfs/dbraw/zinc/80/07/98/670800798.db2.gz NGAZKGJJAHVPDL-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000565683208 675142691 /nfs/dbraw/zinc/14/26/91/675142691.db2.gz JZOXRWIOPDJQCF-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000565830429 675154396 /nfs/dbraw/zinc/15/43/96/675154396.db2.gz DXTWPRVINOTSPD-ZDUSSCGKSA-N 0 3 355.460 2.120 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610135192 675956263 /nfs/dbraw/zinc/95/62/63/675956263.db2.gz MEDREMDZTAJSRN-RYUDHWBXSA-N 0 3 359.423 2.227 20 5 FEBDHN Nc1cc(N2CCN(CCc3cccs3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587446681 672441837 /nfs/dbraw/zinc/44/18/37/672441837.db2.gz QFAZDUONJJDHRG-UHFFFAOYSA-N 0 3 362.455 2.096 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000590165326 672562493 /nfs/dbraw/zinc/56/24/93/672562493.db2.gz GHGYHSJFVQEHSV-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000590572138 672590708 /nfs/dbraw/zinc/59/07/08/672590708.db2.gz WSALJAKVGJLBLH-CYBMUJFWSA-N 0 3 370.456 2.019 20 5 FEBDHN CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(C)C1 ZINC000591924764 672721868 /nfs/dbraw/zinc/72/18/68/672721868.db2.gz JDEBVHRRAYHWST-HNNXBMFYSA-N 0 3 350.419 2.229 20 5 FEBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534726 672936307 /nfs/dbraw/zinc/93/63/07/672936307.db2.gz RJWZHERYLZHWSD-GUTXKFCHSA-N 0 3 368.459 2.016 20 5 FEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000594525253 673095084 /nfs/dbraw/zinc/09/50/84/673095084.db2.gz UCIIIIRCRIJVAS-WBMJQRKESA-N 0 3 365.455 2.128 20 5 FEBDHN C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000594820263 673152288 /nfs/dbraw/zinc/15/22/88/673152288.db2.gz AFSOYOZFDUHBNH-VIFPVBQESA-N 0 3 369.365 2.232 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594982970 673182956 /nfs/dbraw/zinc/18/29/56/673182956.db2.gz DGFFIQIUTQENNE-TZMCWYRMSA-N 0 3 352.387 2.194 20 5 FEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032988 673187856 /nfs/dbraw/zinc/18/78/56/673187856.db2.gz OLIWNWFUQOWSRE-ISTRZQFTSA-N 0 3 354.403 2.075 20 5 FEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032991 673187932 /nfs/dbraw/zinc/18/79/32/673187932.db2.gz OLIWNWFUQOWSRE-XGWLTEMNSA-N 0 3 354.403 2.075 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462706201 673277031 /nfs/dbraw/zinc/27/70/31/673277031.db2.gz RRRSLSVJZYRUMC-LBPRGKRZSA-N 0 3 359.423 2.229 20 5 FEBDHN COC(=O)COc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000462871719 673286815 /nfs/dbraw/zinc/28/68/15/673286815.db2.gz CSANCTOYYZCJNC-AWEZNQCLSA-N 0 3 352.387 2.146 20 5 FEBDHN CC(C)n1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596131554 673361908 /nfs/dbraw/zinc/36/19/08/673361908.db2.gz PCBPAHLMWFDMJE-JTQLQIEISA-N 0 3 364.431 2.486 20 5 FEBDHN COC1CCN(CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597104256 673448683 /nfs/dbraw/zinc/44/86/83/673448683.db2.gz RFFBEXAWUZVNIG-UHFFFAOYSA-N 0 3 371.825 2.063 20 5 FEBDHN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597947444 673522766 /nfs/dbraw/zinc/52/27/66/673522766.db2.gz YIYGOBZTZSWVCZ-CQSZACIVSA-N 0 3 367.471 2.389 20 5 FEBDHN Cc1nc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598824828 673614554 /nfs/dbraw/zinc/61/45/54/673614554.db2.gz ZLCHTODUDNSDSC-NXEZZACHSA-N 0 3 363.292 2.221 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601316794 673841890 /nfs/dbraw/zinc/84/18/90/673841890.db2.gz PLQFVCCTUULQLC-UHFFFAOYSA-N 0 3 361.489 2.460 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601387268 673853418 /nfs/dbraw/zinc/85/34/18/673853418.db2.gz RQFNNJOTMSONGY-LBPRGKRZSA-N 0 3 373.450 2.393 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461293 673866452 /nfs/dbraw/zinc/86/64/52/673866452.db2.gz AKCDANKGMQCPFU-LLVKDONJSA-N 0 3 361.489 2.363 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461293 673866456 /nfs/dbraw/zinc/86/64/56/673866456.db2.gz AKCDANKGMQCPFU-LLVKDONJSA-N 0 3 361.489 2.363 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923828 673913933 /nfs/dbraw/zinc/91/39/33/673913933.db2.gz GOHTYVLPBBARON-OAHLLOKOSA-N 0 3 369.780 2.262 20 5 FEBDHN CCOc1cc(CN2CCC(CCO)(CCO)CC2)ccc1[N+](=O)[O-] ZINC000602966152 673914910 /nfs/dbraw/zinc/91/49/10/673914910.db2.gz YJQQEGHOPGBCKQ-UHFFFAOYSA-N 0 3 352.431 2.341 20 5 FEBDHN C[C@@H](NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000819207541 675269811 /nfs/dbraw/zinc/26/98/11/675269811.db2.gz MZRXQBSQFISEMX-CHWSQXEVSA-N 0 3 353.419 2.473 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000762358560 680748136 /nfs/dbraw/zinc/74/81/36/680748136.db2.gz LVQJWSHXSPIHKL-ZIAGYGMSSA-N 0 3 372.878 2.164 20 5 FEBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748836721 679999770 /nfs/dbraw/zinc/99/97/70/679999770.db2.gz XJXQXXVWSVRHQZ-SNVBAGLBSA-N 0 3 350.375 2.334 20 5 FEBDHN CC[C@@H](CO)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000754247102 680345365 /nfs/dbraw/zinc/34/53/65/680345365.db2.gz ORUZUXVHCKCHRQ-NSHDSACASA-N 0 3 350.400 2.017 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201069 680434754 /nfs/dbraw/zinc/43/47/54/680434754.db2.gz BMDFYCAUWDRSCY-LBPRGKRZSA-N 0 3 356.810 2.217 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000836541537 680481264 /nfs/dbraw/zinc/48/12/64/680481264.db2.gz GUGZOOXVQFSTAQ-NWDGAFQWSA-N 0 3 353.806 2.150 20 5 FEBDHN O=C1OCCN1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877006324 686308365 /nfs/dbraw/zinc/30/83/65/686308365.db2.gz IFGNRHWYTRFLDS-UHFFFAOYSA-N 0 3 364.221 2.351 20 5 FEBDHN CN1CCN(C)CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000933992671 681494505 /nfs/dbraw/zinc/49/45/05/681494505.db2.gz YWNLYVKUXBDURY-UHFFFAOYSA-N 0 3 371.279 2.037 20 5 FEBDHN CS[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000778402990 681608330 /nfs/dbraw/zinc/60/83/30/681608330.db2.gz MCLJCINCSQIGTF-OLZOCXBDSA-N 0 3 359.398 2.191 20 5 FEBDHN CN(C)CCn1nccc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385409 685476092 /nfs/dbraw/zinc/47/60/92/685476092.db2.gz AARKOMABNHVODJ-UHFFFAOYSA-N 0 3 369.784 2.075 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791063898 682721400 /nfs/dbraw/zinc/72/14/00/682721400.db2.gz ZAJNTVOPLKNDDV-CQSZACIVSA-N 0 3 350.375 2.353 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791210651 682728650 /nfs/dbraw/zinc/72/86/50/682728650.db2.gz XPNABROGOOBFKF-GFCCVEGCSA-N 0 3 352.410 2.404 20 5 FEBDHN CC(C)N1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000791735806 682762738 /nfs/dbraw/zinc/76/27/38/682762738.db2.gz AKRCBXVRZYPMAG-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823661 683480123 /nfs/dbraw/zinc/48/01/23/683480123.db2.gz AFYPYLFMZOHZRC-OCCSQVGLSA-N 0 3 353.806 2.183 20 5 FEBDHN CC(C)O[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000922611775 683754027 /nfs/dbraw/zinc/75/40/27/683754027.db2.gz PIBMMXYPPNYXML-QGZVFWFLSA-N 0 3 352.387 2.040 20 5 FEBDHN CN(CCN1CC2(C1)CCOCC2)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000866256791 684086454 /nfs/dbraw/zinc/08/64/54/684086454.db2.gz CZTSBGGDZWONNC-UHFFFAOYSA-N 0 3 363.443 2.148 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000866338752 684092953 /nfs/dbraw/zinc/09/29/53/684092953.db2.gz XHSVYBRVCSMHNF-DLBZAZTESA-N 0 3 368.455 2.306 20 5 FEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccc(Br)cn3)C2)c1 ZINC000877734015 686446926 /nfs/dbraw/zinc/44/69/26/686446926.db2.gz FURCPWAPGNKHDH-UHFFFAOYSA-N 0 3 352.192 2.442 20 5 FEBDHN CC1(N2CCC2)CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000882768879 687480852 /nfs/dbraw/zinc/48/08/52/687480852.db2.gz XEXVFMYOEBCYIQ-UHFFFAOYSA-N 0 3 367.471 2.027 20 5 FEBDHN COc1c([O-])ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000892780521 689243063 /nfs/dbraw/zinc/24/30/63/689243063.db2.gz XUIZYSANBJLCFO-UHFFFAOYSA-N 0 3 363.336 2.425 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC000897218244 689989418 /nfs/dbraw/zinc/98/94/18/689989418.db2.gz BPFFYISQCWYHAQ-QWHCGFSZSA-N 0 3 360.336 2.044 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC23CC(O)C3)c1 ZINC000897843964 690089166 /nfs/dbraw/zinc/08/91/66/690089166.db2.gz KKHBGSLZBZIJQW-CPCZMJQVSA-N 0 3 374.178 2.202 20 5 FEBDHN CN1CCN(C)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000897858273 690091820 /nfs/dbraw/zinc/09/18/20/690091820.db2.gz DVIFOFJAFNXTGT-UHFFFAOYSA-N 0 3 360.380 2.293 20 5 FEBDHN Cc1c(C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771718 721148260 /nfs/dbraw/zinc/14/82/60/721148260.db2.gz SRGKFOWIDORSPP-DLBZAZTESA-N 0 3 370.457 2.298 20 5 FEBDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171287 539613381 /nfs/dbraw/zinc/61/33/81/539613381.db2.gz OQLCYYVPOMBELZ-CYBMUJFWSA-N 0 3 370.456 2.019 20 5 FEBDHN CN(CCOc1ccccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025697699 539766664 /nfs/dbraw/zinc/76/66/64/539766664.db2.gz QBRUMGJCDXDFOU-HNNXBMFYSA-N 0 3 364.373 2.484 20 5 FEBDHN CN(C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000028840403 539838397 /nfs/dbraw/zinc/83/83/97/539838397.db2.gz POMJMOLRJQUJEV-KRWDZBQOSA-N 0 3 357.410 2.263 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000033089626 539966869 /nfs/dbraw/zinc/96/68/69/539966869.db2.gz ANOZWFZMNGWUOE-UHFFFAOYSA-N 0 3 353.382 2.463 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1C ZINC000055245897 540640006 /nfs/dbraw/zinc/64/00/06/540640006.db2.gz MTNGAJKSRANQDV-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C2CC2)cc1OC ZINC000057715252 540810921 /nfs/dbraw/zinc/81/09/21/540810921.db2.gz UYMQTFZHQIBFGD-LLVKDONJSA-N 0 3 351.403 2.215 20 5 FEBDHN CC(C)(C)CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000059744660 540865740 /nfs/dbraw/zinc/86/57/40/540865740.db2.gz ORTDJNWYVJADQQ-QGZVFWFLSA-N 0 3 365.474 2.388 20 5 FEBDHN CCOC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000060485112 541114186 /nfs/dbraw/zinc/11/41/86/541114186.db2.gz PHCNCUMRLINNSS-UHFFFAOYSA-N 0 3 351.403 2.433 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060950642 541124278 /nfs/dbraw/zinc/12/42/78/541124278.db2.gz UAQZTNXGZLEGGI-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000061502449 541131653 /nfs/dbraw/zinc/13/16/53/541131653.db2.gz DQFFTCIVHDNSSE-SFHVURJKSA-N 0 3 371.441 2.443 20 5 FEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000065675020 541252282 /nfs/dbraw/zinc/25/22/82/541252282.db2.gz ONTPMBPCDFHKOL-STQMWFEESA-N 0 3 365.430 2.462 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000065685158 541253287 /nfs/dbraw/zinc/25/32/87/541253287.db2.gz PKTDJZASEAPVJA-UHFFFAOYSA-N 0 3 355.460 2.310 20 5 FEBDHN CCc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000066593490 541342978 /nfs/dbraw/zinc/34/29/78/541342978.db2.gz CUKNKQTUBVDUIO-UHFFFAOYSA-N 0 3 369.468 2.287 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066630143 541350698 /nfs/dbraw/zinc/35/06/98/541350698.db2.gz JLHCYYFASSPPFO-CHWSQXEVSA-N 0 3 363.414 2.216 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000068779028 541627143 /nfs/dbraw/zinc/62/71/43/541627143.db2.gz AQXJYZNWSYXNKR-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000069124586 541660350 /nfs/dbraw/zinc/66/03/50/541660350.db2.gz ZBRDRFCCUQVXBW-QGZVFWFLSA-N 0 3 367.471 2.375 20 5 FEBDHN CCC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000072724680 541858451 /nfs/dbraw/zinc/85/84/51/541858451.db2.gz UWHPFOPZEOVWAX-UHFFFAOYSA-N 0 3 351.403 2.169 20 5 FEBDHN CCCN1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000074073766 542034216 /nfs/dbraw/zinc/03/42/16/542034216.db2.gz IFPIAUJTWNWYDI-UHFFFAOYSA-N 0 3 357.414 2.338 20 5 FEBDHN C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000076331273 542261310 /nfs/dbraw/zinc/26/13/10/542261310.db2.gz UGYILFFHJATEKL-GFCCVEGCSA-N 0 3 369.853 2.253 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047144326 208373743 /nfs/dbraw/zinc/37/37/43/208373743.db2.gz NFWQNYYGTNMKCS-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C(C)C)C1CCOCC1 ZINC000077356723 542372043 /nfs/dbraw/zinc/37/20/43/542372043.db2.gz SEJRQIMXCUBPLL-UHFFFAOYSA-N 0 3 351.403 2.431 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080095055 542564130 /nfs/dbraw/zinc/56/41/30/542564130.db2.gz HIXWFESRPULEOI-CYBMUJFWSA-N 0 3 350.419 2.066 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092652805 542878000 /nfs/dbraw/zinc/87/80/00/542878000.db2.gz UAUYNMVUPWNSHR-UHFFFAOYSA-N 0 3 358.389 2.270 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000103451635 543107972 /nfs/dbraw/zinc/10/79/72/543107972.db2.gz DQHCZSFKLDGBAR-UHFFFAOYSA-N 0 3 357.414 2.194 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000108491919 543292064 /nfs/dbraw/zinc/29/20/64/543292064.db2.gz FYVAFYSPEWEACP-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN CCc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)N(C)C)cc1 ZINC000109220021 543318402 /nfs/dbraw/zinc/31/84/02/543318402.db2.gz CEDFLQLFKHUIOG-KRWDZBQOSA-N 0 3 373.457 2.471 20 5 FEBDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113301316 543483002 /nfs/dbraw/zinc/48/30/02/543483002.db2.gz GKQDLXALOKESSC-OAHLLOKOSA-N 0 3 355.460 2.279 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000123792030 543783428 /nfs/dbraw/zinc/78/34/28/543783428.db2.gz LRASCVSPZHMPLA-HOCLYGCPSA-N 0 3 371.441 2.453 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000123791789 543783461 /nfs/dbraw/zinc/78/34/61/543783461.db2.gz LRASCVSPZHMPLA-ZBFHGGJFSA-N 0 3 371.441 2.453 20 5 FEBDHN Cc1cc(C(=O)NCc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000124094896 543800933 /nfs/dbraw/zinc/80/09/33/543800933.db2.gz GCVPKTANTHZEFD-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000124836800 543845922 /nfs/dbraw/zinc/84/59/22/543845922.db2.gz XQGUWSZBQZVXJT-RISCZKNCSA-N 0 3 363.443 2.203 20 5 FEBDHN Cc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000125548500 543887657 /nfs/dbraw/zinc/88/76/57/543887657.db2.gz HFMNUBXXUZTDIB-UHFFFAOYSA-N 0 3 365.430 2.249 20 5 FEBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000126187404 543922451 /nfs/dbraw/zinc/92/24/51/543922451.db2.gz VSEHDTBPTLECAM-SFHVURJKSA-N 0 3 358.442 2.118 20 5 FEBDHN CCOC(=O)c1cc(NCCN2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000128071137 544030949 /nfs/dbraw/zinc/03/09/49/544030949.db2.gz RGVKRMBQTXEPFK-UHFFFAOYSA-N 0 3 351.403 2.294 20 5 FEBDHN O=C(CCN1CCC(c2nnc[nH]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128864858 544077853 /nfs/dbraw/zinc/07/78/53/544077853.db2.gz PLMYHBGXOXXZCM-UHFFFAOYSA-N 0 3 362.365 2.060 20 5 FEBDHN CC(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135507540 544349976 /nfs/dbraw/zinc/34/99/76/544349976.db2.gz ZSBOYMPWAUNBMH-HNNXBMFYSA-N 0 3 357.414 2.131 20 5 FEBDHN CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135507540 544349978 /nfs/dbraw/zinc/34/99/78/544349978.db2.gz ZSBOYMPWAUNBMH-HNNXBMFYSA-N 0 3 357.414 2.131 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146588805 544440518 /nfs/dbraw/zinc/44/05/18/544440518.db2.gz PDJSRASEPQQVCG-LLVKDONJSA-N 0 3 359.835 2.107 20 5 FEBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152299621 544635751 /nfs/dbraw/zinc/63/57/51/544635751.db2.gz HEQMZISOVCGCAP-LBPRGKRZSA-N 0 3 369.219 2.047 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000152875512 544706235 /nfs/dbraw/zinc/70/62/35/544706235.db2.gz RPDLCFHFOMIBDF-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903706 544709726 /nfs/dbraw/zinc/70/97/26/544709726.db2.gz YPTQNGSLKUDREL-DLBZAZTESA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000553893502 674292530 /nfs/dbraw/zinc/29/25/30/674292530.db2.gz TZKHBSUHJRJRPK-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187186851 328007649 /nfs/dbraw/zinc/00/76/49/328007649.db2.gz JXFYKGKEDHQBIA-ACJLOTCBSA-N 0 3 359.430 2.297 20 5 FEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189410942 328146531 /nfs/dbraw/zinc/14/65/31/328146531.db2.gz HXICWQQPHWPLJG-OAHLLOKOSA-N 0 3 351.447 2.141 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000191897241 328287541 /nfs/dbraw/zinc/28/75/41/328287541.db2.gz DZTPBVKBHYLNFW-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN CC(C)C(=O)N1CCC(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000192884255 328345135 /nfs/dbraw/zinc/34/51/35/328345135.db2.gz UVWZPHQBBJRKBG-CYBMUJFWSA-N 0 3 362.430 2.158 20 5 FEBDHN COc1cccc2c1CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000193709282 328390766 /nfs/dbraw/zinc/39/07/66/328390766.db2.gz SNJBLEWZZIOHGS-KRWDZBQOSA-N 0 3 372.421 2.444 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000193917868 328401893 /nfs/dbraw/zinc/40/18/93/328401893.db2.gz HTKRROWTUYPOPN-UHFFFAOYSA-N 0 3 355.460 2.444 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000061164574 324854536 /nfs/dbraw/zinc/85/45/36/324854536.db2.gz KOXQUNOAKIKBTM-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN CCCc1n[nH]c(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000089393700 325314862 /nfs/dbraw/zinc/31/48/62/325314862.db2.gz VBGRPRWNXMZRER-UHFFFAOYSA-N 0 3 372.429 2.312 20 5 FEBDHN COc1ccccc1C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522323 325362064 /nfs/dbraw/zinc/36/20/64/325362064.db2.gz OEFUMFDRWPZANK-MRXNPFEDSA-N 0 3 357.410 2.472 20 5 FEBDHN CCC[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000090798717 325368638 /nfs/dbraw/zinc/36/86/38/325368638.db2.gz LCGLVBZBPUDGLE-CVEARBPZSA-N 0 3 355.460 2.450 20 5 FEBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000092692793 325422716 /nfs/dbraw/zinc/42/27/16/325422716.db2.gz ZHSLVHIAIKDSTQ-UHFFFAOYSA-N 0 3 358.402 2.092 20 5 FEBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000102648595 325496397 /nfs/dbraw/zinc/49/63/97/325496397.db2.gz QSUOGHTUGYDLNQ-STQMWFEESA-N 0 3 351.403 2.149 20 5 FEBDHN CN1CCN(C(=O)CC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000109788987 325677466 /nfs/dbraw/zinc/67/74/66/325677466.db2.gz VJZOHHMYJPDPKS-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119979307 326217787 /nfs/dbraw/zinc/21/77/87/326217787.db2.gz VKRCSXVUJWDCIO-CQSZACIVSA-N 0 3 350.419 2.444 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000120178287 326238138 /nfs/dbraw/zinc/23/81/38/326238138.db2.gz QJLCXCNWQHVEQK-UHFFFAOYSA-N 0 3 363.462 2.359 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000120523086 326265843 /nfs/dbraw/zinc/26/58/43/326265843.db2.gz JGLMBQBQNRLIIF-YPMHNXCESA-N 0 3 351.403 2.024 20 5 FEBDHN O=C(NCCCNCc1cccnc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120802174 326289397 /nfs/dbraw/zinc/28/93/97/326289397.db2.gz JHHAXNWUBWSCLJ-UHFFFAOYSA-N 0 3 369.425 2.474 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000121404944 326336112 /nfs/dbraw/zinc/33/61/12/326336112.db2.gz FAZGWVYDXOQDLM-OAHLLOKOSA-N 0 3 363.462 2.441 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122364681 326393849 /nfs/dbraw/zinc/39/38/49/326393849.db2.gz JIXLWIPEQMXRKN-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000122395055 326395112 /nfs/dbraw/zinc/39/51/12/326395112.db2.gz UMQKGQJPBNHWNV-GDBMZVCRSA-N 0 3 367.471 2.262 20 5 FEBDHN Cc1c(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000126729353 326494102 /nfs/dbraw/zinc/49/41/02/326494102.db2.gz GPXFAJFPBXISEI-HNNXBMFYSA-N 0 3 373.409 2.457 20 5 FEBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000133797088 326615037 /nfs/dbraw/zinc/61/50/37/326615037.db2.gz OLTZSOGHNKVHIB-UHFFFAOYSA-N 0 3 372.425 2.374 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)c1 ZINC000164797919 327074545 /nfs/dbraw/zinc/07/45/45/327074545.db2.gz ATYMHGVUFNIEEP-OAHLLOKOSA-N 0 3 373.409 2.457 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1C ZINC000172619141 327211924 /nfs/dbraw/zinc/21/19/24/327211924.db2.gz QRLHOJNGJVEREI-ZFWWWQNUSA-N 0 3 357.414 2.335 20 5 FEBDHN Cc1ccc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000173762416 327282285 /nfs/dbraw/zinc/28/22/85/327282285.db2.gz FEJGTHHDWRUOKH-MRXNPFEDSA-N 0 3 360.414 2.004 20 5 FEBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727980 327346400 /nfs/dbraw/zinc/34/64/00/327346400.db2.gz ZXKHPZDSDSFNAE-OCCSQVGLSA-N 0 3 370.356 2.495 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000264742692 329055535 /nfs/dbraw/zinc/05/55/35/329055535.db2.gz RNHXCYZCXZBOKJ-UHFFFAOYSA-N 0 3 353.444 2.421 20 5 FEBDHN Cc1cc(NC[C@H](C)N2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264957437 329078332 /nfs/dbraw/zinc/07/83/32/329078332.db2.gz WUWGWXOEQBKULM-HNNXBMFYSA-N 0 3 370.457 2.408 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566466 329236842 /nfs/dbraw/zinc/23/68/42/329236842.db2.gz RLQDHQZYPFLRAC-KBPBESRZSA-N 0 3 363.414 2.311 20 5 FEBDHN CN(Cc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266569073 329237204 /nfs/dbraw/zinc/23/72/04/329237204.db2.gz KXFBSFGBGOOQGH-CQSZACIVSA-N 0 3 369.219 2.047 20 5 FEBDHN COc1ccc(NC(=O)CCN(C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266734437 329254084 /nfs/dbraw/zinc/25/40/84/329254084.db2.gz OMIFDYDISZMTPU-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN C[C@@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183586 329300259 /nfs/dbraw/zinc/30/02/59/329300259.db2.gz NGSQBHMYAGXUAP-MLGOLLRUSA-N 0 3 352.460 2.392 20 5 FEBDHN O=[N+]([O-])c1cnc(NCCCN2CCC(O)CC2)c(Br)c1 ZINC000267278368 329309894 /nfs/dbraw/zinc/30/98/94/329309894.db2.gz UQKJMBXZFXXQGS-UHFFFAOYSA-N 0 3 359.224 2.011 20 5 FEBDHN CNC(=O)c1ccc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912093 329367776 /nfs/dbraw/zinc/36/77/76/329367776.db2.gz GHMMLNFOJFFKMC-KBPBESRZSA-N 0 3 364.446 2.256 20 5 FEBDHN CN(C)[C@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000268065916 329382028 /nfs/dbraw/zinc/38/20/28/329382028.db2.gz BXNDQOXEMXYZFO-HNNXBMFYSA-N 0 3 372.878 2.485 20 5 FEBDHN COCCN1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268070570 329382317 /nfs/dbraw/zinc/38/23/17/329382317.db2.gz DUICUGSBKKYJPJ-UHFFFAOYSA-N 0 3 370.837 2.158 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1N1CCCC1 ZINC000274187947 329924400 /nfs/dbraw/zinc/92/44/00/329924400.db2.gz LGPDTCXCQNPUPD-GJZGRUSLSA-N 0 3 364.471 2.137 20 5 FEBDHN CN(C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000275692474 330078476 /nfs/dbraw/zinc/07/84/76/330078476.db2.gz AUFABHHBRTWHNP-UHFFFAOYSA-N 0 3 360.458 2.412 20 5 FEBDHN COC(=O)c1cnc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000276506995 330159451 /nfs/dbraw/zinc/15/94/51/330159451.db2.gz DFNNAAPDRFLHSW-UHFFFAOYSA-N 0 3 370.409 2.489 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821023 330208147 /nfs/dbraw/zinc/20/81/47/330208147.db2.gz SLDRKOSWJANOFC-QAPCUYQASA-N 0 3 371.441 2.160 20 5 FEBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461429 330245016 /nfs/dbraw/zinc/24/50/16/330245016.db2.gz XWFNYAWNDVZEAF-YJBOKZPZSA-N 0 3 360.414 2.295 20 5 FEBDHN CCOCCO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157580269 545758338 /nfs/dbraw/zinc/75/83/38/545758338.db2.gz PKWALORGACYHAL-INIZCTEOSA-N 0 3 365.430 2.359 20 5 FEBDHN COCCN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176714961 546479445 /nfs/dbraw/zinc/47/94/45/546479445.db2.gz OUMVRMSTZYIKFA-AWEZNQCLSA-N 0 3 352.435 2.184 20 5 FEBDHN CN(C(=O)CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177926192 546708675 /nfs/dbraw/zinc/70/86/75/546708675.db2.gz QISJREBSNCROIP-FRQCXROJSA-N 0 3 372.469 2.364 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCc3ccccc32)cc1 ZINC000177999838 546719744 /nfs/dbraw/zinc/71/97/44/546719744.db2.gz DQCGFHSEGRFVLP-KRWDZBQOSA-N 0 3 361.423 2.150 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1-n1cccn1 ZINC000183137174 547608357 /nfs/dbraw/zinc/60/83/57/547608357.db2.gz KABJRGBBOQMJTM-AWEZNQCLSA-N 0 3 353.382 2.293 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183439226 547659414 /nfs/dbraw/zinc/65/94/14/547659414.db2.gz MSNUEVJHLZPNCA-SFHVURJKSA-N 0 3 369.421 2.400 20 5 FEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617152 561301289 /nfs/dbraw/zinc/30/12/89/561301289.db2.gz MDXZGXVJIWMGQC-NZVBXONLSA-N 0 3 371.821 2.359 20 5 FEBDHN CC1CCN(CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184171935 547781461 /nfs/dbraw/zinc/78/14/61/547781461.db2.gz XTFZWVRHMGKDOG-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN COC(=O)c1cc(N[C@@H](C)CCN2CCN(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000184828335 547884271 /nfs/dbraw/zinc/88/42/71/547884271.db2.gz VJUVREPAIRAJHF-AWEZNQCLSA-N 0 3 364.446 2.128 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000185817925 548039763 /nfs/dbraw/zinc/03/97/63/548039763.db2.gz YGRGBWSSJLCSJC-UHFFFAOYSA-N 0 3 351.432 2.146 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000185817925 548039766 /nfs/dbraw/zinc/03/97/66/548039766.db2.gz YGRGBWSSJLCSJC-UHFFFAOYSA-N 0 3 351.432 2.146 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000186166184 548093422 /nfs/dbraw/zinc/09/34/22/548093422.db2.gz GEHSMBUIXDDWEL-LJQANCHMSA-N 0 3 356.426 2.371 20 5 FEBDHN COc1ccc(S(=O)(=O)N[C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000186777076 548189715 /nfs/dbraw/zinc/18/97/15/548189715.db2.gz YTKTXTUEWBAOSX-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)N(C)C ZINC000193099444 548380400 /nfs/dbraw/zinc/38/04/00/548380400.db2.gz QRZUCXLNTYJPIO-OAHLLOKOSA-N 0 3 373.475 2.248 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194736914 548523382 /nfs/dbraw/zinc/52/33/82/548523382.db2.gz MOHCRJFPXDJVBS-OAHLLOKOSA-N 0 3 354.410 2.429 20 5 FEBDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000488013625 561381301 /nfs/dbraw/zinc/38/13/01/561381301.db2.gz WVADBRKNYAHMCP-HNNXBMFYSA-N 0 3 354.838 2.459 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C)[C@H](C(C)C)C1 ZINC000488046099 561382131 /nfs/dbraw/zinc/38/21/31/561382131.db2.gz UPQFNXUXXVBJGT-BBRMVZONSA-N 0 3 364.446 2.202 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246046014 549041327 /nfs/dbraw/zinc/04/13/27/549041327.db2.gz BVRABYTUQSHBEA-HIFRSBDPSA-N 0 3 353.444 2.151 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246114041 549055280 /nfs/dbraw/zinc/05/52/80/549055280.db2.gz ILAWRDCIHDWZDI-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000246806119 549216819 /nfs/dbraw/zinc/21/68/19/549216819.db2.gz AJBXVDKDKQFQNF-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1C ZINC000246824046 549221953 /nfs/dbraw/zinc/22/19/53/549221953.db2.gz BIBNLXLYNYYQCM-TZMCWYRMSA-N 0 3 355.460 2.172 20 5 FEBDHN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000247698352 549373514 /nfs/dbraw/zinc/37/35/14/549373514.db2.gz XDUMSNRJFBRXRR-DGCLKSJQSA-N 0 3 353.448 2.173 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248035840 549401047 /nfs/dbraw/zinc/40/10/47/549401047.db2.gz RRAJWBLCTLMCBJ-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000248478020 549448109 /nfs/dbraw/zinc/44/81/09/549448109.db2.gz ZAWBHXKGGXVMKS-HIFRSBDPSA-N 0 3 360.414 2.077 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CCc3ccccc3)C2)nc1 ZINC000248568703 549459669 /nfs/dbraw/zinc/45/96/69/549459669.db2.gz LNWSSGLSTMUDCD-SJLPKXTDSA-N 0 3 356.426 2.470 20 5 FEBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCO[C@H]1C ZINC000489472066 561412347 /nfs/dbraw/zinc/41/23/47/561412347.db2.gz BVCZWGZEUTYOAJ-YOEHRIQHSA-N 0 3 365.430 2.358 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000249093933 549550774 /nfs/dbraw/zinc/55/07/74/549550774.db2.gz OJVJNYMPFVQLQH-KGLIPLIRSA-N 0 3 355.460 2.135 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCNC[C@H]3c3cccnc3)n2)cc1 ZINC000261633901 549736970 /nfs/dbraw/zinc/73/69/70/549736970.db2.gz FBJYFPCFTRFARG-INIZCTEOSA-N 0 3 366.381 2.186 20 5 FEBDHN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000490630236 561436397 /nfs/dbraw/zinc/43/63/97/561436397.db2.gz JWCRXQOYUFMXGM-RHSMWYFYSA-N 0 3 350.438 2.192 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1N(C)C ZINC000270850976 550313531 /nfs/dbraw/zinc/31/35/31/550313531.db2.gz PTBXMHRIOBBGMV-CABCVRRESA-N 0 3 360.439 2.261 20 5 FEBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538937 550456522 /nfs/dbraw/zinc/45/65/22/550456522.db2.gz RONGCKMOZDWFHZ-OLZOCXBDSA-N 0 3 353.423 2.026 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272599832 550460323 /nfs/dbraw/zinc/46/03/23/550460323.db2.gz XOQROVWKVAOBFP-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1=CCN(C)CC1 ZINC000272926806 550477013 /nfs/dbraw/zinc/47/70/13/550477013.db2.gz KRTLSYURMHBFJC-HNNXBMFYSA-N 0 3 373.457 2.077 20 5 FEBDHN O=[N+]([O-])c1c(NCc2ccccc2CN2CC[C@H](O)C2)nc2sccn21 ZINC000273204797 550489708 /nfs/dbraw/zinc/48/97/08/550489708.db2.gz OPGBUGOKHKMQIC-AWEZNQCLSA-N 0 3 373.438 2.483 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277552131 550683723 /nfs/dbraw/zinc/68/37/23/550683723.db2.gz MPFYDQWJNKLVAM-HNNXBMFYSA-N 0 3 364.446 2.014 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278196195 550759522 /nfs/dbraw/zinc/75/95/22/550759522.db2.gz PIBAITMZUWMLIL-CYBMUJFWSA-N 0 3 360.418 2.145 20 5 FEBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225221 550866832 /nfs/dbraw/zinc/86/68/32/550866832.db2.gz IOFJLJAKPRNADY-JQHSSLGASA-N 0 3 359.426 2.495 20 5 FEBDHN CN1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000281784088 551142942 /nfs/dbraw/zinc/14/29/42/551142942.db2.gz NIMUYLLEVFGECW-UHFFFAOYSA-N 0 3 360.414 2.097 20 5 FEBDHN CN1CCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000281861495 551149928 /nfs/dbraw/zinc/14/99/28/551149928.db2.gz VLYBSCWZXOJUEQ-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247894 551865537 /nfs/dbraw/zinc/86/55/37/551865537.db2.gz SBCFOVFFTXUEFA-JSGCOSHPSA-N 0 3 351.403 2.073 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364220 551994650 /nfs/dbraw/zinc/99/46/50/551994650.db2.gz WWOTWZRVNAOUAC-ZWNOBZJWSA-N 0 3 361.427 2.298 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289468108 552326098 /nfs/dbraw/zinc/32/60/98/552326098.db2.gz WQUZAQKDGLDEHY-SFHVURJKSA-N 0 3 367.446 2.345 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000289809601 552382281 /nfs/dbraw/zinc/38/22/81/552382281.db2.gz NUODOKNVZNAFSK-AWEZNQCLSA-N 0 3 363.462 2.305 20 5 FEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000290328632 552461013 /nfs/dbraw/zinc/46/10/13/552461013.db2.gz CJNATZRIRJMOPO-KRWDZBQOSA-N 0 3 363.393 2.300 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000500808012 561583044 /nfs/dbraw/zinc/58/30/44/561583044.db2.gz LIIZSAYAVYERBK-LSDHHAIUSA-N 0 3 369.487 2.320 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000500808004 561583067 /nfs/dbraw/zinc/58/30/67/561583067.db2.gz LIIZSAYAVYERBK-CABCVRRESA-N 0 3 369.487 2.320 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500842890 561584119 /nfs/dbraw/zinc/58/41/19/561584119.db2.gz LYZASFASCSNTQT-RHSMWYFYSA-N 0 3 371.441 2.442 20 5 FEBDHN CC(=O)N[C@@H](C)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501030159 561588031 /nfs/dbraw/zinc/58/80/31/561588031.db2.gz AKKOFWHQTMYVLQ-ZDUSSCGKSA-N 0 3 362.430 2.160 20 5 FEBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000291410577 552621633 /nfs/dbraw/zinc/62/16/33/552621633.db2.gz JCCVILRUNCIZFD-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000501369285 561596041 /nfs/dbraw/zinc/59/60/41/561596041.db2.gz YMHGEFFJCJULOY-UHFFFAOYSA-N 0 3 351.451 2.070 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292501655 552732767 /nfs/dbraw/zinc/73/27/67/552732767.db2.gz GZPBHDSCZINWPG-MRXNPFEDSA-N 0 3 355.341 2.364 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)C1(CO)CCC1 ZINC000292958983 552774982 /nfs/dbraw/zinc/77/49/82/552774982.db2.gz FNSZXMNGDOZCTD-QGZVFWFLSA-N 0 3 365.430 2.319 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000293970321 552871932 /nfs/dbraw/zinc/87/19/32/552871932.db2.gz UOPQTYVKYIPJGL-IBGZPJMESA-N 0 3 358.442 2.363 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000294027487 552876546 /nfs/dbraw/zinc/87/65/46/552876546.db2.gz ZWTTWYYFRIPBKF-ZWKOTPCHSA-N 0 3 374.441 2.104 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000294908382 552943269 /nfs/dbraw/zinc/94/32/69/552943269.db2.gz SDUFAEHNIBBBEB-UHFFFAOYSA-N 0 3 368.865 2.314 20 5 FEBDHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN(C2CC2)C1 ZINC000295277398 552980550 /nfs/dbraw/zinc/98/05/50/552980550.db2.gz HLBOIZZRPZWXKY-GFCCVEGCSA-N 0 3 351.378 2.055 20 5 FEBDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295789991 553059433 /nfs/dbraw/zinc/05/94/33/553059433.db2.gz RMGPEUFDEXGFOM-MNOVXSKESA-N 0 3 364.427 2.263 20 5 FEBDHN CCCCN1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000502901071 561629356 /nfs/dbraw/zinc/62/93/56/561629356.db2.gz CFBYQJBNWHMFJQ-ZDUSSCGKSA-N 0 3 370.475 2.309 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000297811422 553342013 /nfs/dbraw/zinc/34/20/13/553342013.db2.gz INXXSAQXVMUNKF-LLVKDONJSA-N 0 3 368.821 2.035 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000298254621 553404301 /nfs/dbraw/zinc/40/43/01/553404301.db2.gz UQZHMPRKFLMDGX-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN CC(C)N(CCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000504011556 561651943 /nfs/dbraw/zinc/65/19/43/561651943.db2.gz VQHAHKQLBPQQCM-UHFFFAOYSA-N 0 3 357.476 2.475 20 5 FEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1Cc1ccccc1 ZINC000301617528 553666180 /nfs/dbraw/zinc/66/61/80/553666180.db2.gz KMVAKUYMXUDAIE-GXTWGEPZSA-N 0 3 355.398 2.164 20 5 FEBDHN CC1CCN(C[C@H](O)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897640 553689862 /nfs/dbraw/zinc/68/98/62/553689862.db2.gz RKEILMZRJWHWHL-LLVKDONJSA-N 0 3 373.251 2.257 20 5 FEBDHN CN1CCN(CCC(C)(C)Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000302238765 553712980 /nfs/dbraw/zinc/71/29/80/553712980.db2.gz HEYREUYVFNQTQH-UHFFFAOYSA-N 0 3 352.464 2.132 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000302998386 553742816 /nfs/dbraw/zinc/74/28/16/553742816.db2.gz HHVASMDKMSHLLP-UHFFFAOYSA-N 0 3 358.402 2.180 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1CCS(=O)(=O)CC1 ZINC000507823516 561742224 /nfs/dbraw/zinc/74/22/24/561742224.db2.gz LMLCDPWAXPVZRB-UHFFFAOYSA-N 0 3 356.444 2.298 20 5 FEBDHN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429087 554120772 /nfs/dbraw/zinc/12/07/72/554120772.db2.gz ICPNKUJJGFFUKP-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429087 554120773 /nfs/dbraw/zinc/12/07/73/554120773.db2.gz ICPNKUJJGFFUKP-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN CS[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000330902699 554185589 /nfs/dbraw/zinc/18/55/89/554185589.db2.gz XVMYHMOMBTWPNC-VCTAVGKDSA-N 0 3 355.435 2.341 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000331323771 554246813 /nfs/dbraw/zinc/24/68/13/554246813.db2.gz MPMLOSKBMIMAFF-PWSUYJOCSA-N 0 3 370.247 2.499 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1C ZINC000332089437 554378054 /nfs/dbraw/zinc/37/80/54/554378054.db2.gz UQQJZFJWONSMAO-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510521599 561837664 /nfs/dbraw/zinc/83/76/64/561837664.db2.gz IPDWYZNTNUPHBL-WFASDCNBSA-N 0 3 359.430 2.366 20 5 FEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000510541695 561838405 /nfs/dbraw/zinc/83/84/05/561838405.db2.gz TVCRGQUHQZHJBQ-KBXCAEBGSA-N 0 3 359.430 2.297 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510720092 561844449 /nfs/dbraw/zinc/84/44/49/561844449.db2.gz LZORSWNXCSFVMA-ZIAGYGMSSA-N 0 3 353.444 2.041 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000511020420 561854118 /nfs/dbraw/zinc/85/41/18/561854118.db2.gz VIZKSYCJRLZNTK-UHOFOFEASA-N 0 3 360.414 2.055 20 5 FEBDHN Nc1ccc(C(=O)NC2CCN(CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000359940309 554856425 /nfs/dbraw/zinc/85/64/25/554856425.db2.gz FBLAZNBQRLXIHQ-UHFFFAOYSA-N 0 3 369.425 2.009 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000361110195 554904765 /nfs/dbraw/zinc/90/47/65/554904765.db2.gz VOVHROHWXDRCTD-IAQYHMDHSA-N 0 3 352.822 2.213 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290415 554960933 /nfs/dbraw/zinc/96/09/33/554960933.db2.gz RODBERZZWFBKRK-SWLSCSKDSA-N 0 3 362.386 2.286 20 5 FEBDHN COc1ccc(CN[C@H]2CCCN(Cc3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000362970633 555003933 /nfs/dbraw/zinc/00/39/33/555003933.db2.gz MJOZBZMXTSSMCB-AWEZNQCLSA-N 0 3 361.402 2.049 20 5 FEBDHN C[C@@H]1C[C@H]1N1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263706 555067286 /nfs/dbraw/zinc/06/72/86/555067286.db2.gz AMKBXRQAQQJHTH-SRCQZFHVSA-N 0 3 369.425 2.094 20 5 FEBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363348311 555082998 /nfs/dbraw/zinc/08/29/98/555082998.db2.gz FCEFONYSNUVQAO-INIZCTEOSA-N 0 3 371.441 2.304 20 5 FEBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000363369891 555087618 /nfs/dbraw/zinc/08/76/18/555087618.db2.gz WFGQXYZAYJRRHF-UHFFFAOYSA-N 0 3 354.410 2.427 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424292 555102079 /nfs/dbraw/zinc/10/20/79/555102079.db2.gz QIXYMACANZTIAS-FHLIZLRMSA-N 0 3 361.442 2.143 20 5 FEBDHN Cc1cnn(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000363679187 555162647 /nfs/dbraw/zinc/16/26/47/555162647.db2.gz RZPULYVPAVVVHK-MRXNPFEDSA-N 0 3 360.414 2.177 20 5 FEBDHN COc1cccc(N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363700626 555167272 /nfs/dbraw/zinc/16/72/72/555167272.db2.gz KVIYJRVBBRCVAE-UHFFFAOYSA-N 0 3 362.474 2.457 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000364070276 555244299 /nfs/dbraw/zinc/24/42/99/555244299.db2.gz LORNHIYAIITNSU-UHFFFAOYSA-N 0 3 355.822 2.167 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COCc3cccs3)CC2)n1 ZINC000365128544 555491602 /nfs/dbraw/zinc/49/16/02/555491602.db2.gz ZCHQZBKLJZXBML-AWEZNQCLSA-N 0 3 366.443 2.067 20 5 FEBDHN NC(=O)c1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000365149890 555495751 /nfs/dbraw/zinc/49/57/51/555495751.db2.gz HWIQPWLFGVHOEU-HXUWFJFHSA-N 0 3 369.421 2.263 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2cnccn2)CC1 ZINC000365150068 555496092 /nfs/dbraw/zinc/49/60/92/555496092.db2.gz ISTBZQKTYGQALW-OAHLLOKOSA-N 0 3 358.398 2.004 20 5 FEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(CC3CCC4(CC3)OCCO4)C2)c1 ZINC000365170580 555500962 /nfs/dbraw/zinc/50/09/62/555500962.db2.gz LJESDQBNDKFSAY-HNNXBMFYSA-N 0 3 350.419 2.362 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540002 555603201 /nfs/dbraw/zinc/60/32/01/555603201.db2.gz QIYLJPRKCHPRIH-JLSDUUJJSA-N 0 3 361.442 2.143 20 5 FEBDHN O=C(CCN1CCN([C@@H]2CCSC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000365890586 555693634 /nfs/dbraw/zinc/69/36/34/555693634.db2.gz JLNVQENEAJAQBT-CQSZACIVSA-N 0 3 364.471 2.047 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000366189283 555776148 /nfs/dbraw/zinc/77/61/48/555776148.db2.gz RCMPRXWHSXRPOH-GFCCVEGCSA-N 0 3 350.394 2.110 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000514555695 561967260 /nfs/dbraw/zinc/96/72/60/561967260.db2.gz NLKVWKDAHZVULP-CHWSQXEVSA-N 0 3 362.430 2.221 20 5 FEBDHN CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000368407334 556299014 /nfs/dbraw/zinc/29/90/14/556299014.db2.gz NGWSRLLVDRWETO-NVXWUHKLSA-N 0 3 363.462 2.465 20 5 FEBDHN Cn1cc(CNC[C@@H](CO)c2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515250268 562002363 /nfs/dbraw/zinc/00/23/63/562002363.db2.gz YANHQDKXOOHYJM-KRWDZBQOSA-N 0 3 367.409 2.256 20 5 FEBDHN C[C@@H](CO)N1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000368967024 556461526 /nfs/dbraw/zinc/46/15/26/556461526.db2.gz UFONDWKTESNPCT-LBPRGKRZSA-N 0 3 372.263 2.246 20 5 FEBDHN Cc1c(CN(C)C2CCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000369068924 556496263 /nfs/dbraw/zinc/49/62/63/556496263.db2.gz YBYNKPCECZNJJB-UHFFFAOYSA-N 0 3 374.485 2.422 20 5 FEBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000369353774 556577684 /nfs/dbraw/zinc/57/76/84/556577684.db2.gz IYSCDLXUBUUEPP-AWEZNQCLSA-N 0 3 366.849 2.100 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000370039111 556763959 /nfs/dbraw/zinc/76/39/59/556763959.db2.gz VUOFWBLEYHTMFI-SFHVURJKSA-N 0 3 362.474 2.205 20 5 FEBDHN CC1=C[C@H](C)C[C@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516369 562045560 /nfs/dbraw/zinc/04/55/60/562045560.db2.gz QGQYINRINJNEDT-ZFWWWQNUSA-N 0 3 367.471 2.455 20 5 FEBDHN O=C(CCN1CCN([C@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370412357 556866039 /nfs/dbraw/zinc/86/60/39/556866039.db2.gz AKKSGENVPJZOBP-INIZCTEOSA-N 0 3 364.471 2.047 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CC(C)(C)O)CC2)c1 ZINC000370416467 556866510 /nfs/dbraw/zinc/86/65/10/556866510.db2.gz YOIISSYCIHDHML-UHFFFAOYSA-N 0 3 367.471 2.236 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000371342238 557153122 /nfs/dbraw/zinc/15/31/22/557153122.db2.gz WGPMEKSVSZLDLU-UHFFFAOYSA-N 0 3 360.458 2.225 20 5 FEBDHN COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349438 557155776 /nfs/dbraw/zinc/15/57/76/557155776.db2.gz ISQZTNMGDGNGIC-HIFRSBDPSA-N 0 3 366.437 2.205 20 5 FEBDHN COc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349437 557155847 /nfs/dbraw/zinc/15/58/47/557155847.db2.gz ISQZTNMGDGNGIC-DZGCQCFKSA-N 0 3 366.437 2.205 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000371546758 557217244 /nfs/dbraw/zinc/21/72/44/557217244.db2.gz OCOFFPDQKZKLOO-KBXCAEBGSA-N 0 3 358.442 2.361 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000518104196 562104548 /nfs/dbraw/zinc/10/45/48/562104548.db2.gz YSBHQLVZAYIGCI-ZIAGYGMSSA-N 0 3 362.430 2.221 20 5 FEBDHN COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000372400347 557461498 /nfs/dbraw/zinc/46/14/98/557461498.db2.gz DDPACEVNVNYGKT-YJBOKZPZSA-N 0 3 370.409 2.421 20 5 FEBDHN CN1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372423168 557466643 /nfs/dbraw/zinc/46/66/43/557466643.db2.gz VXVNGHJRSUFHLP-KXBFYZLASA-N 0 3 370.409 2.178 20 5 FEBDHN CC(=O)c1ccc(N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607768 557519381 /nfs/dbraw/zinc/51/93/81/557519381.db2.gz VZINXZOJSFMUNX-QGZVFWFLSA-N 0 3 360.458 2.402 20 5 FEBDHN Cc1nc(-c2ccccc2)sc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519545744 562134349 /nfs/dbraw/zinc/13/43/49/562134349.db2.gz YJSSICCABTUWHA-HNNXBMFYSA-N 0 3 373.438 2.374 20 5 FEBDHN CNc1nc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520245226 562151699 /nfs/dbraw/zinc/15/16/99/562151699.db2.gz ADNQXKLGXARLKY-LJQANCHMSA-N 0 3 369.425 2.426 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374266794 557855087 /nfs/dbraw/zinc/85/50/87/557855087.db2.gz ZSBUENJYBOANIG-IBGZPJMESA-N 0 3 371.441 2.279 20 5 FEBDHN CCO[C@@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000521032275 562167956 /nfs/dbraw/zinc/16/79/56/562167956.db2.gz BQVDGNXBNFYARE-LZLYRXPVSA-N 0 3 363.414 2.240 20 5 FEBDHN Cn1cc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585476 557902506 /nfs/dbraw/zinc/90/25/06/557902506.db2.gz NIVSWUABFHNYPH-IRXDYDNUSA-N 0 3 369.425 2.238 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCCOC)CC2)c1 ZINC000374831095 557937529 /nfs/dbraw/zinc/93/75/29/557937529.db2.gz WMRQEHBVKKSORJ-UHFFFAOYSA-N 0 3 365.430 2.178 20 5 FEBDHN CCC(=O)c1ccc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000375654476 558063034 /nfs/dbraw/zinc/06/30/34/558063034.db2.gz JDANQSZDLANOSG-INIZCTEOSA-N 0 3 360.458 2.404 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907622 558098002 /nfs/dbraw/zinc/09/80/02/558098002.db2.gz YMOFLSOLHNUGEV-SFHVURJKSA-N 0 3 362.474 2.074 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000377168191 558280930 /nfs/dbraw/zinc/28/09/30/558280930.db2.gz JTJCGVYESSRDBF-XKQJLSEDSA-N 0 3 374.441 2.350 20 5 FEBDHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182445 558654556 /nfs/dbraw/zinc/65/45/56/558654556.db2.gz KRVWHBQBBWHGCU-YOEHRIQHSA-N 0 3 358.442 2.043 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524869521 562236555 /nfs/dbraw/zinc/23/65/55/562236555.db2.gz LUQSIUPAOHSXPM-QWHCGFSZSA-N 0 3 371.459 2.097 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])ccc1CN(C)C ZINC000411129499 558842045 /nfs/dbraw/zinc/84/20/45/558842045.db2.gz GOIVWQCFDXXZOJ-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000411423195 558892354 /nfs/dbraw/zinc/89/23/54/558892354.db2.gz OFHKYEIEEHHQNF-UHFFFAOYSA-N 0 3 374.441 2.237 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553115 558916268 /nfs/dbraw/zinc/91/62/68/558916268.db2.gz ICLMYRBHQKDZOY-DXCKQFNASA-N 0 3 374.441 2.030 20 5 FEBDHN CNC(=O)C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411681208 558942988 /nfs/dbraw/zinc/94/29/88/558942988.db2.gz OGNBJDULIRXQDO-MRXNPFEDSA-N 0 3 370.409 2.390 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000411721313 558950291 /nfs/dbraw/zinc/95/02/91/558950291.db2.gz OJTOTXIGEOGSDL-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791339 558963789 /nfs/dbraw/zinc/96/37/89/558963789.db2.gz KVCVJPPMOJSBPG-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945217 558993152 /nfs/dbraw/zinc/99/31/52/558993152.db2.gz KJZYBNOBLGFRDK-BTDLBPIBSA-N 0 3 365.386 2.055 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1F ZINC000412121380 559015499 /nfs/dbraw/zinc/01/54/99/559015499.db2.gz FIOKNKOXXLNAJU-RYUDHWBXSA-N 0 3 353.394 2.226 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178819 559018588 /nfs/dbraw/zinc/01/85/88/559018588.db2.gz UBMUUUOSTWIBDG-ZYSHUDEJSA-N 0 3 374.485 2.088 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413123060 559080584 /nfs/dbraw/zinc/08/05/84/559080584.db2.gz LTKGQEQHFPCPLZ-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413449335 559108673 /nfs/dbraw/zinc/10/86/73/559108673.db2.gz XIRIBFIIILSGBI-RBUKOAKNSA-N 0 3 374.485 2.232 20 5 FEBDHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1cccc([N+](=O)[O-])c1 ZINC000414732189 559182971 /nfs/dbraw/zinc/18/29/71/559182971.db2.gz IDAOEQMPBJUSNF-GFCCVEGCSA-N 0 3 368.393 2.056 20 5 FEBDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415431014 559235863 /nfs/dbraw/zinc/23/58/63/559235863.db2.gz RVMXHXRBUSSQHF-CYBMUJFWSA-N 0 3 364.446 2.320 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000416664228 559328604 /nfs/dbraw/zinc/32/86/04/559328604.db2.gz SDIOXERCYSJONO-UHFFFAOYSA-N 0 3 369.487 2.273 20 5 FEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420391064 559484985 /nfs/dbraw/zinc/48/49/85/559484985.db2.gz NVNIGDCALSZIIX-VBNZEHGJSA-N 0 3 372.400 2.488 20 5 FEBDHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420447011 559487775 /nfs/dbraw/zinc/48/77/75/559487775.db2.gz IOXKLYKEPYATLU-NSHDSACASA-N 0 3 369.365 2.265 20 5 FEBDHN COC(=O)c1cc(NC(=O)N(C)C[C@H]2CCCN2C)c(C)c([N+](=O)[O-])c1 ZINC000421112525 559524613 /nfs/dbraw/zinc/52/46/13/559524613.db2.gz SZNKYNFKBJILQF-CYBMUJFWSA-N 0 3 364.402 2.248 20 5 FEBDHN COc1ccc(CSCC(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421701461 559549877 /nfs/dbraw/zinc/54/98/77/559549877.db2.gz HREVYWDWOHBTHV-CQSZACIVSA-N 0 3 367.471 2.389 20 5 FEBDHN CN(CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)c1ccccc1[N+](=O)[O-] ZINC000424014889 559651106 /nfs/dbraw/zinc/65/11/06/559651106.db2.gz WOGFREJVNRMJMF-JKSUJKDBSA-N 0 3 372.400 2.123 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000425066852 559686235 /nfs/dbraw/zinc/68/62/35/559686235.db2.gz PZMDIMAUCTWIJU-GXFFZTMASA-N 0 3 355.341 2.362 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429314255 559795599 /nfs/dbraw/zinc/79/55/99/559795599.db2.gz YOZDEEBOTBLQIZ-CYBMUJFWSA-N 0 3 371.393 2.395 20 5 FEBDHN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(C2CCN(C)CC2)n1 ZINC000430428891 559819991 /nfs/dbraw/zinc/81/99/91/559819991.db2.gz HUIQUDCCTLFNJW-UHFFFAOYSA-N 0 3 373.413 2.384 20 5 FEBDHN CC1(C)C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433302539 559876466 /nfs/dbraw/zinc/87/64/66/559876466.db2.gz XVMIJUKOQNQPHY-CZUORRHYSA-N 0 3 367.471 2.331 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000436717755 559949735 /nfs/dbraw/zinc/94/97/35/559949735.db2.gz CVOFTGJVDXQYJU-HNNXBMFYSA-N 0 3 357.414 2.009 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000440508885 560012962 /nfs/dbraw/zinc/01/29/62/560012962.db2.gz UQZBGNCRRFLYFG-KRWDZBQOSA-N 0 3 361.423 2.023 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000443712545 560090848 /nfs/dbraw/zinc/09/08/48/560090848.db2.gz WNYAADWRRLHNCC-UONOGXRCSA-N 0 3 355.460 2.277 20 5 FEBDHN CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000449070146 560214749 /nfs/dbraw/zinc/21/47/49/560214749.db2.gz BDNFXWGNGDXOPJ-WFASDCNBSA-N 0 3 363.414 2.234 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234729 560221353 /nfs/dbraw/zinc/22/13/53/560221353.db2.gz QXZAHHNDBWUHAC-ZBFHGGJFSA-N 0 3 371.441 2.040 20 5 FEBDHN CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000449533677 560233093 /nfs/dbraw/zinc/23/30/93/560233093.db2.gz BMRVDOBYBPWWFU-PRHODGIISA-N 0 3 364.183 2.448 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000450701338 560270843 /nfs/dbraw/zinc/27/08/43/560270843.db2.gz VZEANMHTGGSJNX-GUYCJALGSA-N 0 3 355.398 2.151 20 5 FEBDHN CC(C)(C)CC(C)(C)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000450887063 560276821 /nfs/dbraw/zinc/27/68/21/560276821.db2.gz XYWXDUNDQOMYAE-UHFFFAOYSA-N 0 3 363.462 2.426 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000451487017 560310020 /nfs/dbraw/zinc/31/00/20/560310020.db2.gz KSOAMSGRCTZZOT-PBHICJAKSA-N 0 3 351.403 2.335 20 5 FEBDHN CCN1CCN(CC(C)(C)NCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000451992583 560343332 /nfs/dbraw/zinc/34/33/32/560343332.db2.gz UFCSRQSHRDJIBT-UHFFFAOYSA-N 0 3 350.463 2.109 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457084634 560547822 /nfs/dbraw/zinc/54/78/22/560547822.db2.gz ZCZJTGLOZZFCMD-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457089148 560548238 /nfs/dbraw/zinc/54/82/38/560548238.db2.gz KVENIADUYPJCBP-CQSZACIVSA-N 0 3 372.425 2.463 20 5 FEBDHN CN(C)CCOCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458685283 560640610 /nfs/dbraw/zinc/64/06/10/560640610.db2.gz FKBCHQGELBBLIL-MRXNPFEDSA-N 0 3 364.446 2.062 20 5 FEBDHN CC(C)S(=O)(=O)N1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000461611455 560776608 /nfs/dbraw/zinc/77/66/08/560776608.db2.gz SOZYMYJJYRCJLF-ZDUSSCGKSA-N 0 3 355.460 2.448 20 5 FEBDHN COCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000464729443 560849273 /nfs/dbraw/zinc/84/92/73/560849273.db2.gz PTQJEVQOPOZMFH-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170171 560976001 /nfs/dbraw/zinc/97/60/01/560976001.db2.gz POZJDUDZPHCHKL-LGMDPLHJSA-N 0 3 374.485 2.484 20 5 FEBDHN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000471132178 560998824 /nfs/dbraw/zinc/99/88/24/560998824.db2.gz VEGNSBOXSDPAAP-CZUORRHYSA-N 0 3 359.430 2.334 20 5 FEBDHN CC(C)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000472570784 561029490 /nfs/dbraw/zinc/02/94/90/561029490.db2.gz WYEQWYSTAUZOPK-UHFFFAOYSA-N 0 3 366.393 2.053 20 5 FEBDHN CNC(=O)c1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636578 561031659 /nfs/dbraw/zinc/03/16/59/561031659.db2.gz GGIYJDMOWHOTNY-HOTGVXAUSA-N 0 3 357.414 2.424 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000474144314 561066740 /nfs/dbraw/zinc/06/67/40/561066740.db2.gz YFPCQMWAKUGECZ-UHFFFAOYSA-N 0 3 371.397 2.030 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000474821300 561083710 /nfs/dbraw/zinc/08/37/10/561083710.db2.gz JOIOXZFRVIJHEN-UHFFFAOYSA-N 0 3 373.457 2.222 20 5 FEBDHN COc1c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301333 561115983 /nfs/dbraw/zinc/11/59/83/561115983.db2.gz COJJLIKSJACJJE-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN CN(C)C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532734684 562487045 /nfs/dbraw/zinc/48/70/45/562487045.db2.gz JTPPPRFJFJWKHO-CQSZACIVSA-N 0 3 372.425 2.465 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114212 562603477 /nfs/dbraw/zinc/60/34/77/562603477.db2.gz KSCSPCPLJVWAJI-CQSZACIVSA-N 0 3 364.446 2.067 20 5 FEBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546571442 562637817 /nfs/dbraw/zinc/63/78/17/562637817.db2.gz NGAWVDMDTNUVSU-KRWDZBQOSA-N 0 3 367.471 2.283 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738358073 598469231 /nfs/dbraw/zinc/46/92/31/598469231.db2.gz KPONWRZFCFVSAJ-AWEZNQCLSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738358073 598469232 /nfs/dbraw/zinc/46/92/32/598469232.db2.gz KPONWRZFCFVSAJ-AWEZNQCLSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629594 607472142 /nfs/dbraw/zinc/47/21/42/607472142.db2.gz BEHORQWAKYRJBQ-HIFRSBDPSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823629594 607472144 /nfs/dbraw/zinc/47/21/44/607472144.db2.gz BEHORQWAKYRJBQ-HIFRSBDPSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629594 607472147 /nfs/dbraw/zinc/47/21/47/607472147.db2.gz BEHORQWAKYRJBQ-HIFRSBDPSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823629594 607472148 /nfs/dbraw/zinc/47/21/48/607472148.db2.gz BEHORQWAKYRJBQ-HIFRSBDPSA-N 0 3 369.429 2.228 20 5 FEBDHN C[NH+](C)[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825849721 608376714 /nfs/dbraw/zinc/37/67/14/608376714.db2.gz LXOICJXVMPTIPR-HNNXBMFYSA-N 0 3 368.401 2.075 20 5 FEBDHN C[NH+](C)[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825849721 608376716 /nfs/dbraw/zinc/37/67/16/608376716.db2.gz LXOICJXVMPTIPR-HNNXBMFYSA-N 0 3 368.401 2.075 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826500808 608533352 /nfs/dbraw/zinc/53/33/52/608533352.db2.gz MXDNVTPIJUXJAM-UHFFFAOYSA-N 0 3 366.381 2.433 20 5 FEBDHN CC(COC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[N+](=O)[O-] ZINC000813104210 674719664 /nfs/dbraw/zinc/71/96/64/674719664.db2.gz YAVOYDRKCVQAPF-SECBINFHSA-N 0 3 350.352 2.290 20 5 FEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000570321299 670695796 /nfs/dbraw/zinc/69/57/96/670695796.db2.gz DQUOIHJJBFCARI-GFCCVEGCSA-N 0 3 366.443 2.150 20 5 FEBDHN CN(C)CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000112916040 670878668 /nfs/dbraw/zinc/87/86/68/670878668.db2.gz CZFMOKLJPSVEGQ-UHFFFAOYSA-N 0 3 353.394 2.446 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000572180022 670970381 /nfs/dbraw/zinc/97/03/81/670970381.db2.gz LCXCGXKAXHFNJA-AWEZNQCLSA-N 0 3 355.460 2.135 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000609199193 675913852 /nfs/dbraw/zinc/91/38/52/675913852.db2.gz KIIGDNJJTCHXPO-UHFFFAOYSA-N 0 3 355.460 2.310 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000578707657 671684067 /nfs/dbraw/zinc/68/40/67/671684067.db2.gz TYELMKURALBCDZ-LBPRGKRZSA-N 0 3 351.403 2.074 20 5 FEBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261447 675961907 /nfs/dbraw/zinc/96/19/07/675961907.db2.gz GEVUZSWAHRXVBB-MGPQQGTHSA-N 0 3 368.459 2.016 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 ZINC000610542496 675978916 /nfs/dbraw/zinc/97/89/16/675978916.db2.gz ZYWIVHAAEBOVFC-ZIAGYGMSSA-N 0 3 351.451 2.044 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000583809445 672128313 /nfs/dbraw/zinc/12/83/13/672128313.db2.gz QWYVUQGAWVAHPU-HNNXBMFYSA-N 0 3 367.471 2.406 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000588910380 672493418 /nfs/dbraw/zinc/49/34/18/672493418.db2.gz MCWNAGXGRUFOTN-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045988 672556075 /nfs/dbraw/zinc/55/60/75/672556075.db2.gz ZJDCEWQOQCNUPU-TVQRCGJNSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066559 672871282 /nfs/dbraw/zinc/87/12/82/672871282.db2.gz NOYJIQAJPJWYMC-MLGOLLRUSA-N 0 3 364.833 2.467 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340355 673227871 /nfs/dbraw/zinc/22/78/71/673227871.db2.gz RWXANEWXSAPIAI-QGZVFWFLSA-N 0 3 350.438 2.334 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000462579347 673265133 /nfs/dbraw/zinc/26/51/33/673265133.db2.gz VRCHWLDEYAFFNO-HNNXBMFYSA-N 0 3 367.471 2.446 20 5 FEBDHN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000596178491 673365329 /nfs/dbraw/zinc/36/53/29/673365329.db2.gz JIFSGLCJUFTPRZ-OCCSQVGLSA-N 0 3 353.854 2.105 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c(C)c1[N+](=O)[O-] ZINC000598610197 673590224 /nfs/dbraw/zinc/59/02/24/673590224.db2.gz FZHPDDZXMAMXIM-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599073792 673631649 /nfs/dbraw/zinc/63/16/49/673631649.db2.gz RQDDGPSXOKLRPF-BPLDGKMQSA-N 0 3 355.460 2.414 20 5 FEBDHN CN1CCN(CC2CN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000599109332 673634056 /nfs/dbraw/zinc/63/40/56/673634056.db2.gz UMFVBEUSVIXXTO-UHFFFAOYSA-N 0 3 369.263 2.041 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCOCC3(CCCC3)C2)c1 ZINC000614222640 676165662 /nfs/dbraw/zinc/16/56/62/676165662.db2.gz QPBKSJLZIBDBHW-MRXNPFEDSA-N 0 3 350.415 2.227 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC2CCN(C)CC2)c1 ZINC000544664914 673724624 /nfs/dbraw/zinc/72/46/24/673724624.db2.gz CZYHWFPUWCUHDE-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601405309 673856928 /nfs/dbraw/zinc/85/69/28/673856928.db2.gz SWWIANIIFLDNNQ-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN CCN1CCC[C@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746715679 673891081 /nfs/dbraw/zinc/89/10/81/673891081.db2.gz XMOBCICLDOEVQV-JTQLQIEISA-N 0 3 352.347 2.186 20 5 FEBDHN COCC[C@](C)(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545655 673908093 /nfs/dbraw/zinc/90/80/93/673908093.db2.gz IATXRVRJNMDCNN-NSHDSACASA-N 0 3 353.238 2.296 20 5 FEBDHN COC[C@](C)(O)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674359 673909649 /nfs/dbraw/zinc/90/96/49/673909649.db2.gz OWJQLWLYJKXGAH-LLVKDONJSA-N 0 3 353.238 2.296 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1cccc(Br)c1 ZINC000602809133 673911384 /nfs/dbraw/zinc/91/13/84/673911384.db2.gz YVHQWYFAYFVXFW-ZDUSSCGKSA-N 0 3 369.219 2.185 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1CCCN1C ZINC000823310990 675544094 /nfs/dbraw/zinc/54/40/94/675544094.db2.gz VTJDQXGFHWLOIY-SNVBAGLBSA-N 0 3 354.794 2.031 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000827500955 675760918 /nfs/dbraw/zinc/76/09/18/675760918.db2.gz OYORSDZNXVHRAN-CYBMUJFWSA-N 0 3 368.865 2.312 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000752234499 680231151 /nfs/dbraw/zinc/23/11/51/680231151.db2.gz IJLISLBOKIKLHE-QWHCGFSZSA-N 0 3 373.862 2.462 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CCO)c1cccs1 ZINC000754391966 680353895 /nfs/dbraw/zinc/35/38/95/680353895.db2.gz YXUZQCNKQHWXQR-STQMWFEESA-N 0 3 352.412 2.109 20 5 FEBDHN CCc1nc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001029964404 680394188 /nfs/dbraw/zinc/39/41/88/680394188.db2.gz GIPKVGMENWWFPF-HUUCEWRRSA-N 0 3 366.487 2.041 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCCO)cc1Cl ZINC000836791792 680514512 /nfs/dbraw/zinc/51/45/12/680514512.db2.gz ZDZVCZUDJRQGAV-GFCCVEGCSA-N 0 3 355.822 2.133 20 5 FEBDHN CN(C)CCN(Cc1ccsc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838185085 680678104 /nfs/dbraw/zinc/67/81/04/680678104.db2.gz DKQLRSYLHBIPCF-MRXNPFEDSA-N 0 3 363.439 2.280 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000770413932 681015629 /nfs/dbraw/zinc/01/56/29/681015629.db2.gz CQGMGKQAEDDMCN-UHFFFAOYSA-N 0 3 351.359 2.465 20 5 FEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000843820319 681020268 /nfs/dbraw/zinc/02/02/68/681020268.db2.gz RIDWXHJVDHUVCT-ZDUSSCGKSA-N 0 3 351.378 2.025 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771140343 681043583 /nfs/dbraw/zinc/04/35/83/681043583.db2.gz LGGKVTIDDVEKQN-GFCCVEGCSA-N 0 3 369.853 2.396 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000771663298 681065496 /nfs/dbraw/zinc/06/54/96/681065496.db2.gz LIYWDWVFUUBYNM-UHFFFAOYSA-N 0 3 368.865 2.394 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000846611566 681267840 /nfs/dbraw/zinc/26/78/40/681267840.db2.gz DULPWCJMAWOWFW-UHFFFAOYSA-N 0 3 350.375 2.369 20 5 FEBDHN CN1CCC(NC(=S)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000777924326 681544495 /nfs/dbraw/zinc/54/44/95/681544495.db2.gz VSOASCFOCJIPHG-UHFFFAOYSA-N 0 3 356.879 2.349 20 5 FEBDHN CC([C@H](OC(=O)c1nnn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000851108910 682017079 /nfs/dbraw/zinc/01/70/79/682017079.db2.gz RTWYCYKLSULYRY-SKDRFNHKSA-N 0 3 351.338 2.131 20 5 FEBDHN Cc1c(CN)c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nn1C ZINC000852899462 682355046 /nfs/dbraw/zinc/35/50/46/682355046.db2.gz IFRCIINVFNKODY-UHFFFAOYSA-N 0 3 355.757 2.069 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790014461 682646588 /nfs/dbraw/zinc/64/65/88/682646588.db2.gz JVAOBNBAWJLPFP-UHFFFAOYSA-N 0 3 366.395 2.433 20 5 FEBDHN COCCN1CCC[C@H]1COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000861036369 683335264 /nfs/dbraw/zinc/33/52/64/683335264.db2.gz LYRQWCPUXDMHDR-AWEZNQCLSA-N 0 3 352.387 2.179 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000929216502 683564095 /nfs/dbraw/zinc/56/40/95/683564095.db2.gz BYSAIJUGIGGIDC-HUUCEWRRSA-N 0 3 368.821 2.311 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863033906 683668266 /nfs/dbraw/zinc/66/82/66/683668266.db2.gz YPXFPABFKKGSJW-LBPRGKRZSA-N 0 3 361.427 2.346 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000866863670 684170055 /nfs/dbraw/zinc/17/00/55/684170055.db2.gz RWQRKONUMXBTIT-OCCSQVGLSA-N 0 3 373.450 2.393 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931988019 684383540 /nfs/dbraw/zinc/38/35/40/684383540.db2.gz IJIAXCPKORBCGH-CYBMUJFWSA-N 0 3 369.849 2.408 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000925763245 684583554 /nfs/dbraw/zinc/58/35/54/684583554.db2.gz RDNDAVUQAMZWTF-HUUCEWRRSA-N 0 3 370.247 2.214 20 5 FEBDHN COCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000870455106 684722536 /nfs/dbraw/zinc/72/25/36/684722536.db2.gz UPYUJYFEXOHNCO-ABAIWWIYSA-N 0 3 351.334 2.232 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882768928 687480654 /nfs/dbraw/zinc/48/06/54/687480654.db2.gz ZPWCLZDNBLMEEA-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897219619 689989663 /nfs/dbraw/zinc/98/96/63/689989663.db2.gz MBASHQUWWORNJT-OLZOCXBDSA-N 0 3 370.247 2.393 20 5 FEBDHN C[C@H](N[C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853090 691183203 /nfs/dbraw/zinc/18/32/03/691183203.db2.gz PBXLLIYFAATQDU-JGGQBBKZSA-N 0 3 364.471 2.091 20 5 FEBDHN CC(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N1CCN(C)CC1 ZINC000516116504 816637648 /nfs/dbraw/zinc/63/76/48/816637648.db2.gz LARAURPEDPANCV-MRXNPFEDSA-N 0 3 358.446 2.222 20 5 FEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473510047 887208111 /nfs/dbraw/zinc/20/81/11/887208111.db2.gz FCHDQFOQBUSTBI-INIZCTEOSA-N 0 3 371.441 2.498 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(CN(C)C)c1 ZINC000030338147 539879600 /nfs/dbraw/zinc/87/96/00/539879600.db2.gz QDFBPZZQDCMKAO-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000041488201 540024043 /nfs/dbraw/zinc/02/40/43/540024043.db2.gz GIQZQCLZQXTPLD-GJZGRUSLSA-N 0 3 363.462 2.426 20 5 FEBDHN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000041488200 540024092 /nfs/dbraw/zinc/02/40/92/540024092.db2.gz GIQZQCLZQXTPLD-CABCVRRESA-N 0 3 363.462 2.426 20 5 FEBDHN CN(C)Cc1cccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000047538343 540316727 /nfs/dbraw/zinc/31/67/27/540316727.db2.gz GYFOFJLGMQHQMI-UHFFFAOYSA-N 0 3 356.382 2.025 20 5 FEBDHN CC1CCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000047672098 540323648 /nfs/dbraw/zinc/32/36/48/540323648.db2.gz ZHIJGKYOPWOEMJ-UHFFFAOYSA-N 0 3 357.414 2.242 20 5 FEBDHN O=[N+]([O-])c1sc(NCCN2CCCC2)nc1NCCN1CCCC1 ZINC000536986422 540668374 /nfs/dbraw/zinc/66/83/74/540668374.db2.gz GXMLQGCWORUVIE-UHFFFAOYSA-N 0 3 354.480 2.067 20 5 FEBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000058739106 540854842 /nfs/dbraw/zinc/85/48/42/540854842.db2.gz ZOCKWVWCBAETSC-UHFFFAOYSA-N 0 3 370.365 2.317 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109293945 209302554 /nfs/dbraw/zinc/30/25/54/209302554.db2.gz ZUMBSJMSZPFPOZ-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000063550680 541173188 /nfs/dbraw/zinc/17/31/88/541173188.db2.gz WDURMFAEYJVPRI-UHFFFAOYSA-N 0 3 350.419 2.032 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000625 541277425 /nfs/dbraw/zinc/27/74/25/541277425.db2.gz FLGYKSSMOQBTJY-TXEJJXNPSA-N 0 3 361.489 2.303 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000625 541277428 /nfs/dbraw/zinc/27/74/28/541277428.db2.gz FLGYKSSMOQBTJY-TXEJJXNPSA-N 0 3 361.489 2.303 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067398279 541457172 /nfs/dbraw/zinc/45/71/72/541457172.db2.gz ZTYJAKLJENDVCX-JSGCOSHPSA-N 0 3 362.430 2.078 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000068223046 541565532 /nfs/dbraw/zinc/56/55/32/541565532.db2.gz DKXGHCQOHHJRJV-AWEZNQCLSA-N 0 3 351.403 2.088 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000068386480 541585710 /nfs/dbraw/zinc/58/57/10/541585710.db2.gz CJQWUILXGHTRIB-ZDUSSCGKSA-N 0 3 359.430 2.345 20 5 FEBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000069406650 541684347 /nfs/dbraw/zinc/68/43/47/541684347.db2.gz XPPMSOBUBMGULB-GJZGRUSLSA-N 0 3 364.446 2.393 20 5 FEBDHN CCCN1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000074073618 542034588 /nfs/dbraw/zinc/03/45/88/542034588.db2.gz UKIJVWGXQSPCNC-UHFFFAOYSA-N 0 3 357.414 2.338 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000801571815 674136848 /nfs/dbraw/zinc/13/68/48/674136848.db2.gz CRNFUVGUBKBYPM-INIZCTEOSA-N 0 3 353.423 2.028 20 5 FEBDHN Cc1c(NC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000085548326 542729041 /nfs/dbraw/zinc/72/90/41/542729041.db2.gz XJFGEWUUJKRESU-LSDHHAIUSA-N 0 3 362.430 2.356 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247423765 549332611 /nfs/dbraw/zinc/33/26/11/549332611.db2.gz OEUNFMUHNOSKBY-YGRLFVJLSA-N 0 3 350.375 2.224 20 5 FEBDHN Cc1nn(C)c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000098099123 543021011 /nfs/dbraw/zinc/02/10/11/543021011.db2.gz PNNDGCCUIWAIOA-UHFFFAOYSA-N 0 3 371.441 2.340 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](n2cccn2)C1 ZINC000102410353 543069229 /nfs/dbraw/zinc/06/92/29/543069229.db2.gz GIHMVEGLPBUAEN-OAHLLOKOSA-N 0 3 373.413 2.466 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](n2cccn2)C1 ZINC000102410346 543069392 /nfs/dbraw/zinc/06/93/92/543069392.db2.gz TZTDRCZDRINFKR-OAHLLOKOSA-N 0 3 373.413 2.466 20 5 FEBDHN Cc1c(C(=O)N(CCN(C)C)CC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000104529127 543134000 /nfs/dbraw/zinc/13/40/00/543134000.db2.gz VJCUWURGCDUIFP-UHFFFAOYSA-N 0 3 374.445 2.144 20 5 FEBDHN CN(C)C(=O)[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104664088 543136647 /nfs/dbraw/zinc/13/66/47/543136647.db2.gz MUZWZIXDMAKNMO-HNNXBMFYSA-N 0 3 358.398 2.345 20 5 FEBDHN O=C(CCN1CCC(N2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000104730423 543140014 /nfs/dbraw/zinc/14/00/14/543140014.db2.gz NYINEBHEFOWMRJ-UHFFFAOYSA-N 0 3 360.414 2.010 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000109792451 543339405 /nfs/dbraw/zinc/33/94/05/543339405.db2.gz VGRLTFLYIRVZCB-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000109983005 543345403 /nfs/dbraw/zinc/34/54/03/543345403.db2.gz SNVJXYZQDOMSFT-UHFFFAOYSA-N 0 3 372.425 2.431 20 5 FEBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000112851487 543465405 /nfs/dbraw/zinc/46/54/05/543465405.db2.gz KAAFBOIETJKBFS-ZBFHGGJFSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000124729223 543839415 /nfs/dbraw/zinc/83/94/15/543839415.db2.gz HBYVQWUDUHGCFU-ZDUSSCGKSA-N 0 3 373.500 2.461 20 5 FEBDHN CCC(=O)N1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000134512834 544311074 /nfs/dbraw/zinc/31/10/74/544311074.db2.gz GKKSFRYCMWTDLL-HNNXBMFYSA-N 0 3 357.414 2.096 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c(Cl)c1 ZINC000146234063 544438290 /nfs/dbraw/zinc/43/82/90/544438290.db2.gz RCXVHEPJEOYXES-CYBMUJFWSA-N 0 3 373.862 2.497 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000152856687 544702923 /nfs/dbraw/zinc/70/29/23/544702923.db2.gz TYLAHUYKCMSXAD-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000152884379 544706615 /nfs/dbraw/zinc/70/66/15/544706615.db2.gz HGGGPXOKZYKHJK-YPMHNXCESA-N 0 3 373.862 2.353 20 5 FEBDHN C[C@H]1CN(C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775884 544821434 /nfs/dbraw/zinc/82/14/34/544821434.db2.gz JFTYSUBUCHXPEC-LNMJFAINSA-N 0 3 363.458 2.202 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000154819166 544954063 /nfs/dbraw/zinc/95/40/63/544954063.db2.gz XQAGWCQBORZKFG-GOSISDBHSA-N 0 3 357.414 2.113 20 5 FEBDHN CCCN1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000155090873 544987593 /nfs/dbraw/zinc/98/75/93/544987593.db2.gz VNHLXZZAOWIAMJ-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN CC(C)N(CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000178934586 327617159 /nfs/dbraw/zinc/61/71/59/327617159.db2.gz KTPDTZSAIULVKT-UHFFFAOYSA-N 0 3 357.476 2.176 20 5 FEBDHN CC(C)CS(=O)(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000181118922 327716866 /nfs/dbraw/zinc/71/68/66/327716866.db2.gz APOCMVGKRMOOBC-UHFFFAOYSA-N 0 3 361.489 2.196 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1C ZINC000189213734 328135128 /nfs/dbraw/zinc/13/51/28/328135128.db2.gz GROYGHIPGDFKGX-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000189973047 328179820 /nfs/dbraw/zinc/17/98/20/328179820.db2.gz QLDLHHZEIHRUFF-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC000190001175 328181618 /nfs/dbraw/zinc/18/16/18/328181618.db2.gz LBVZUJSAGGGGCV-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN CCS(=O)(=O)N1CC(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190286362 328198296 /nfs/dbraw/zinc/19/82/96/328198296.db2.gz JHABVGWLWVYSBM-UHFFFAOYSA-N 0 3 355.460 2.089 20 5 FEBDHN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000191257333 328256900 /nfs/dbraw/zinc/25/69/00/328256900.db2.gz ASYRGLOQASMEGZ-SUMWQHHRSA-N 0 3 370.409 2.341 20 5 FEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191802586 328282715 /nfs/dbraw/zinc/28/27/15/328282715.db2.gz DLDLHUNEDZDKHZ-UKRRQHHQSA-N 0 3 363.414 2.363 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000191889601 328286955 /nfs/dbraw/zinc/28/69/55/328286955.db2.gz JQKXKXPYWPDQLI-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000192459059 328319958 /nfs/dbraw/zinc/31/99/58/328319958.db2.gz ZFBCKMKUNMRKQB-KRWDZBQOSA-N 0 3 369.421 2.400 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000052877848 324725223 /nfs/dbraw/zinc/72/52/23/324725223.db2.gz OLRFMWIUEPSMQC-CYBMUJFWSA-N 0 3 351.432 2.052 20 5 FEBDHN CC1(C)CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000236630804 328490358 /nfs/dbraw/zinc/49/03/58/328490358.db2.gz XWTUAXRGZOTWOP-UHFFFAOYSA-N 0 3 355.460 2.432 20 5 FEBDHN CSC[C@H](CCO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077462146 324991362 /nfs/dbraw/zinc/99/13/62/324991362.db2.gz VSBCSGBRJDGPDS-AWEZNQCLSA-N 0 3 350.444 2.199 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000079807302 325105462 /nfs/dbraw/zinc/10/54/62/325105462.db2.gz RQQIHNAPXHURKI-UHFFFAOYSA-N 0 3 360.418 2.410 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000083027284 325210672 /nfs/dbraw/zinc/21/06/72/325210672.db2.gz SUAFACJYFXPYOI-BETUJISGSA-N 0 3 353.394 2.353 20 5 FEBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000092693891 325422910 /nfs/dbraw/zinc/42/29/10/325422910.db2.gz HPQFTZDDUFZPKO-UHFFFAOYSA-N 0 3 372.429 2.102 20 5 FEBDHN CN(C)[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000106364097 325595065 /nfs/dbraw/zinc/59/50/65/325595065.db2.gz XSESOEDERAWZCS-HNNXBMFYSA-N 0 3 357.414 2.162 20 5 FEBDHN C[C@H](NCCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000112548080 325789629 /nfs/dbraw/zinc/78/96/29/325789629.db2.gz HSYOPAVHSMKYLK-JTQLQIEISA-N 0 3 371.319 2.427 20 5 FEBDHN CN1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116756839 326032089 /nfs/dbraw/zinc/03/20/89/326032089.db2.gz UHVGKUYOKLBNBM-GFCCVEGCSA-N 0 3 355.822 2.475 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000120062789 326227075 /nfs/dbraw/zinc/22/70/75/326227075.db2.gz SNDQVZDEWPDRRF-ZIAGYGMSSA-N 0 3 367.421 2.282 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121055852 326309832 /nfs/dbraw/zinc/30/98/32/326309832.db2.gz AJBXVDKDKQFQNF-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C3CCCCC3)CC2)c1 ZINC000163925976 327061455 /nfs/dbraw/zinc/06/14/55/327061455.db2.gz QDJJPCORHIWJAA-SFHVURJKSA-N 0 3 363.458 2.285 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000172485171 327203681 /nfs/dbraw/zinc/20/36/81/327203681.db2.gz AUMPGGCGFNOZAS-NVXWUHKLSA-N 0 3 371.441 2.303 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544502 327207345 /nfs/dbraw/zinc/20/73/45/327207345.db2.gz FVUDVBKCUPNPEF-UHFFFAOYSA-N 0 3 362.430 2.102 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000173328979 327250220 /nfs/dbraw/zinc/25/02/20/327250220.db2.gz CPPSYLAINZTCOT-HNNXBMFYSA-N 0 3 350.806 2.475 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000173867504 327290245 /nfs/dbraw/zinc/29/02/45/327290245.db2.gz OFKPAJSQGNECCL-INIZCTEOSA-N 0 3 367.471 2.279 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCNS(=O)(=O)c1cccs1 ZINC000255382631 328801392 /nfs/dbraw/zinc/80/13/92/328801392.db2.gz VAUFXJYBRKQMAE-UTCJRWHESA-N 0 3 367.452 2.238 20 5 FEBDHN NC(=O)c1ccc(CN2CCNC[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000261717782 328814405 /nfs/dbraw/zinc/81/44/05/328814405.db2.gz NAOYACFGRQBJAB-QGZVFWFLSA-N 0 3 374.828 2.494 20 5 FEBDHN COc1ccc(NC(=O)CN(C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000265194103 329101006 /nfs/dbraw/zinc/10/10/06/329101006.db2.gz IAZHUMKXXVAPAD-UHFFFAOYSA-N 0 3 351.403 2.431 20 5 FEBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(CC2CCOCC2)CC1 ZINC000265511072 329134736 /nfs/dbraw/zinc/13/47/36/329134736.db2.gz KHQKQBQUASPSAY-UHFFFAOYSA-N 0 3 372.425 2.261 20 5 FEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1N(C)C ZINC000271584837 329705371 /nfs/dbraw/zinc/70/53/71/329705371.db2.gz FIIKBQDNGXIMPT-GJZGRUSLSA-N 0 3 366.443 2.033 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275461982 330051482 /nfs/dbraw/zinc/05/14/82/330051482.db2.gz NLVWRUUSZCXOAU-OAHLLOKOSA-N 0 3 351.403 2.025 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275902353 330101771 /nfs/dbraw/zinc/10/17/71/330101771.db2.gz RCVQVFAQVKXCQV-ZDUSSCGKSA-N 0 3 362.430 2.030 20 5 FEBDHN CC(C)CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276350913 330143987 /nfs/dbraw/zinc/14/39/87/330143987.db2.gz ULLBUZKONBNFEO-ZDUSSCGKSA-N 0 3 355.460 2.388 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000294217035 330193719 /nfs/dbraw/zinc/19/37/19/330193719.db2.gz VYSJSYJILWADNO-UHFFFAOYSA-N 0 3 372.429 2.205 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(C(F)F)CC1 ZINC000426249405 330271991 /nfs/dbraw/zinc/27/19/91/330271991.db2.gz FNAWMMXNUWFYED-UHFFFAOYSA-N 0 3 373.356 2.024 20 5 FEBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000158643934 545880580 /nfs/dbraw/zinc/88/05/80/545880580.db2.gz RSSQIQFXOVQRNQ-ZDUSSCGKSA-N 0 3 353.444 2.232 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159654398 545970477 /nfs/dbraw/zinc/97/04/77/545970477.db2.gz CFADPZRDPCIKON-AWEZNQCLSA-N 0 3 357.414 2.194 20 5 FEBDHN COCCCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000478879717 561176799 /nfs/dbraw/zinc/17/67/99/561176799.db2.gz ATNYQVNAIIRUJF-UHFFFAOYSA-N 0 3 364.446 2.203 20 5 FEBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000161376150 546124401 /nfs/dbraw/zinc/12/44/01/546124401.db2.gz XJGKTWBYFKIJCS-SFHVURJKSA-N 0 3 374.416 2.435 20 5 FEBDHN C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000173683500 546285782 /nfs/dbraw/zinc/28/57/82/546285782.db2.gz YGYMLBXZSLVTKL-GJZGRUSLSA-N 0 3 361.446 2.267 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176695929 546477099 /nfs/dbraw/zinc/47/70/99/546477099.db2.gz ZASNQLJFYYHVES-GASCZTMLSA-N 0 3 364.446 2.012 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177095910 546543670 /nfs/dbraw/zinc/54/36/70/546543670.db2.gz KUSLEMWKRRGWPP-STQMWFEESA-N 0 3 355.398 2.136 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177345846 546597588 /nfs/dbraw/zinc/59/75/88/546597588.db2.gz XJSFEXIRMSJMQC-KGLIPLIRSA-N 0 3 362.430 2.101 20 5 FEBDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425760 561232615 /nfs/dbraw/zinc/23/26/15/561232615.db2.gz LOXZHQJGEMZMJQ-GHJWDPDVSA-N 0 3 368.821 2.171 20 5 FEBDHN CC[C@@H]1Oc2cc([C@H](C)NCCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004980 547037700 /nfs/dbraw/zinc/03/77/00/547037700.db2.gz HXFFOEMQQZTXNV-FZMZJTMJSA-N 0 3 359.386 2.252 20 5 FEBDHN CCN(CC)S(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482645619 561257399 /nfs/dbraw/zinc/25/73/99/561257399.db2.gz XEDBYJPFNXGASN-MRXNPFEDSA-N 0 3 369.487 2.177 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccncc2OC)CC1 ZINC000483212821 561270663 /nfs/dbraw/zinc/27/06/63/561270663.db2.gz SPRXQEYDBUKXBQ-UHFFFAOYSA-N 0 3 358.398 2.329 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CCC1CCCCC1 ZINC000483317226 561274062 /nfs/dbraw/zinc/27/40/62/561274062.db2.gz XRIOSEBREJWYGH-UHFFFAOYSA-N 0 3 355.460 2.433 20 5 FEBDHN Cc1ccc([C@H](C)NCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000181823367 547386838 /nfs/dbraw/zinc/38/68/38/547386838.db2.gz HXRSDSUUPZKIAU-ZDUSSCGKSA-N 0 3 360.414 2.418 20 5 FEBDHN CCCN(C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181943698 547409606 /nfs/dbraw/zinc/40/96/06/547409606.db2.gz GHOHJPUQQQFIJO-OAHLLOKOSA-N 0 3 369.487 2.032 20 5 FEBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021719 547423285 /nfs/dbraw/zinc/42/32/85/547423285.db2.gz ZJQTVGIYYOCFBQ-WBMJQRKESA-N 0 3 362.430 2.336 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182681763 547531809 /nfs/dbraw/zinc/53/18/09/547531809.db2.gz UYJJWDSANGZZHR-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767643 547550116 /nfs/dbraw/zinc/55/01/16/547550116.db2.gz RMSLLGSAWSDGAD-JTQLQIEISA-N 0 3 356.810 2.033 20 5 FEBDHN CCCCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000183027116 547589779 /nfs/dbraw/zinc/58/97/79/547589779.db2.gz ALYXBLWPHAOGFS-UHFFFAOYSA-N 0 3 350.419 2.209 20 5 FEBDHN Cc1cccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000183782412 547718271 /nfs/dbraw/zinc/71/82/71/547718271.db2.gz CZZPNUFCZWWGCJ-KRWDZBQOSA-N 0 3 369.421 2.400 20 5 FEBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000484902779 561308265 /nfs/dbraw/zinc/30/82/65/561308265.db2.gz CBHKGVBMJNVROR-UHFFFAOYSA-N 0 3 352.460 2.404 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000184403652 547821991 /nfs/dbraw/zinc/82/19/91/547821991.db2.gz MFKRSJGESUYVGQ-MRXNPFEDSA-N 0 3 367.471 2.375 20 5 FEBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c2)CC1 ZINC000184508962 547838875 /nfs/dbraw/zinc/83/88/75/547838875.db2.gz DRSDRHDCZICUAW-UHFFFAOYSA-N 0 3 371.397 2.090 20 5 FEBDHN COc1cccc(NC[C@@H](O)CN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000185169353 547945567 /nfs/dbraw/zinc/94/55/67/547945567.db2.gz OLTYFLKRMFHTMT-MRXNPFEDSA-N 0 3 357.410 2.435 20 5 FEBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185815642 548040118 /nfs/dbraw/zinc/04/01/18/548040118.db2.gz KOGLLNIDDNZBAA-UHFFFAOYSA-N 0 3 366.443 2.153 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865284 561358459 /nfs/dbraw/zinc/35/84/59/561358459.db2.gz HDHGCXZEAVMGQU-YPMHNXCESA-N 0 3 364.402 2.294 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865010 561358529 /nfs/dbraw/zinc/35/85/29/561358529.db2.gz HDHGCXZEAVMGQU-AAEUAGOBSA-N 0 3 364.402 2.294 20 5 FEBDHN COc1ccc(-c2ccc(CNCC3(O)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000237425203 548824937 /nfs/dbraw/zinc/82/49/37/548824937.db2.gz YGNKOZSUBDFJNE-UHFFFAOYSA-N 0 3 362.382 2.495 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053174 561382328 /nfs/dbraw/zinc/38/23/28/561382328.db2.gz DCQKOZGTLIYPOU-HNNXBMFYSA-N 0 3 357.458 2.250 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246705178 549192668 /nfs/dbraw/zinc/19/26/68/549192668.db2.gz ZNJPWGVKOZQXKQ-DOMZBBRYSA-N 0 3 355.460 2.118 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247245324 549305738 /nfs/dbraw/zinc/30/57/38/549305738.db2.gz ZEMJDCRQXPOKIC-WCQYABFASA-N 0 3 373.862 2.353 20 5 FEBDHN CCN1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248453443 549441460 /nfs/dbraw/zinc/44/14/60/549441460.db2.gz JZVJNGZNTWDYTE-WMLDXEAASA-N 0 3 369.487 2.031 20 5 FEBDHN C[C@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000249203299 549568498 /nfs/dbraw/zinc/56/84/98/549568498.db2.gz ANLXBUBTRLRTAK-GJZGRUSLSA-N 0 3 374.441 2.179 20 5 FEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261931202 549771127 /nfs/dbraw/zinc/77/11/27/549771127.db2.gz JPZNAPGYIJDHLH-DOPJRALCSA-N 0 3 354.410 2.349 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263978708 549962704 /nfs/dbraw/zinc/96/27/04/549962704.db2.gz AJXMZKJMOACFQG-ZDUSSCGKSA-N 0 3 351.407 2.189 20 5 FEBDHN C[C@@H](CC[S@@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268454317 550068437 /nfs/dbraw/zinc/06/84/37/550068437.db2.gz XHOITJZUMCDIDK-FNODVLLQSA-N 0 3 350.444 2.242 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000269124725 550158236 /nfs/dbraw/zinc/15/82/36/550158236.db2.gz WQDOUARFIWYPJZ-GXTWGEPZSA-N 0 3 363.414 2.168 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000493497410 561456318 /nfs/dbraw/zinc/45/63/18/561456318.db2.gz CNEFPYOKRQMTJX-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000493537551 561456671 /nfs/dbraw/zinc/45/66/71/561456671.db2.gz WDELKDZAYUQQNC-CJNGLKHVSA-N 0 3 370.409 2.074 20 5 FEBDHN CN(C)[C@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000270373415 550266097 /nfs/dbraw/zinc/26/60/97/550266097.db2.gz NHQDHRLWLVNFKZ-KRWDZBQOSA-N 0 3 362.455 2.172 20 5 FEBDHN CS[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1N(C)C ZINC000270683054 550296578 /nfs/dbraw/zinc/29/65/78/550296578.db2.gz VJVUMYHSRAUSHQ-KBPBESRZSA-N 0 3 363.443 2.122 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271336246 550366217 /nfs/dbraw/zinc/36/62/17/550366217.db2.gz FJGSWUGQOMRLMN-HNNXBMFYSA-N 0 3 367.409 2.271 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295003 550435303 /nfs/dbraw/zinc/43/53/03/550435303.db2.gz HSFJEUWCZJLNAS-NOZJJQNGSA-N 0 3 355.341 2.409 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000272485566 550452520 /nfs/dbraw/zinc/45/25/20/550452520.db2.gz JUCTZVILTOECEM-LLVKDONJSA-N 0 3 359.423 2.085 20 5 FEBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521059 550455039 /nfs/dbraw/zinc/45/50/39/550455039.db2.gz PXHNNOONLFWLMO-CHWSQXEVSA-N 0 3 353.423 2.026 20 5 FEBDHN Cc1cc(N2CCN(CCC(=O)N(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272862483 550474190 /nfs/dbraw/zinc/47/41/90/550474190.db2.gz QSQHABRSGXJMSP-UHFFFAOYSA-N 0 3 371.441 2.052 20 5 FEBDHN COc1ccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000273512695 550501268 /nfs/dbraw/zinc/50/12/68/550501268.db2.gz OAWLCGLRAKINLJ-HOCLYGCPSA-N 0 3 365.455 2.255 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000274549401 550543565 /nfs/dbraw/zinc/54/35/65/550543565.db2.gz XGXBUIPTIZHXDO-GFCCVEGCSA-N 0 3 351.403 2.215 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000274589197 550545152 /nfs/dbraw/zinc/54/51/52/550545152.db2.gz QFKKSEWXIWALFX-UHFFFAOYSA-N 0 3 367.471 2.500 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cc[nH]c(=O)c2C1 ZINC000276905517 550609429 /nfs/dbraw/zinc/60/94/29/550609429.db2.gz ILQVNUYKYGDNEZ-UHFFFAOYSA-N 0 3 356.382 2.391 20 5 FEBDHN COc1ccc(NC(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277507783 550678731 /nfs/dbraw/zinc/67/87/31/550678731.db2.gz PWOXXKBYZQIXHP-CYBMUJFWSA-N 0 3 366.418 2.226 20 5 FEBDHN Cc1cc(=O)n(C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278544868 550797741 /nfs/dbraw/zinc/79/77/41/550797741.db2.gz KMTHGBKUOZNQAH-KRWDZBQOSA-N 0 3 357.410 2.356 20 5 FEBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823323 550825913 /nfs/dbraw/zinc/82/59/13/550825913.db2.gz CMPYZMNZVLQXIX-CVEARBPZSA-N 0 3 368.821 2.125 20 5 FEBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279831384 550933876 /nfs/dbraw/zinc/93/38/76/550933876.db2.gz RCIXVWLMEGPWOD-CQSZACIVSA-N 0 3 363.414 2.193 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280943243 551047943 /nfs/dbraw/zinc/04/79/43/551047943.db2.gz IBDCGLLHXRUYNE-PKOBYXMFSA-N 0 3 373.409 2.021 20 5 FEBDHN COC(=O)c1cc(NC(=O)NC2(CN(C)C)CCC2)c(C)c([N+](=O)[O-])c1 ZINC000281934033 551159388 /nfs/dbraw/zinc/15/93/88/551159388.db2.gz KVWPDKLRFOSMHC-UHFFFAOYSA-N 0 3 364.402 2.296 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750849 551421739 /nfs/dbraw/zinc/42/17/39/551421739.db2.gz OMRQUYQNTPJFLX-QMTHXVAHSA-N 0 3 350.394 2.012 20 5 FEBDHN CN(c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1)C1CCN(C)CC1 ZINC000285254347 551727202 /nfs/dbraw/zinc/72/72/02/551727202.db2.gz ZZBXCADGOAAQJV-UHFFFAOYSA-N 0 3 358.402 2.101 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569679 551901048 /nfs/dbraw/zinc/90/10/48/551901048.db2.gz DYWMRQWRMGCHJF-RISCZKNCSA-N 0 3 373.862 2.496 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733717 551920187 /nfs/dbraw/zinc/92/01/87/551920187.db2.gz OBRRFYZOZWKARN-YOEHRIQHSA-N 0 3 367.471 2.026 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982334 552070777 /nfs/dbraw/zinc/07/07/77/552070777.db2.gz APHCXOAFHHURLN-HOCLYGCPSA-N 0 3 369.425 2.479 20 5 FEBDHN NC(=O)c1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000289610720 552349327 /nfs/dbraw/zinc/34/93/27/552349327.db2.gz YIQVCDLCXIJJMS-KRWDZBQOSA-N 0 3 366.421 2.331 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCCCCCO)c1 ZINC000289674176 552360207 /nfs/dbraw/zinc/36/02/07/552360207.db2.gz ZUMHODXQSRVDIR-UHFFFAOYSA-N 0 3 364.183 2.452 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC000292083292 552691872 /nfs/dbraw/zinc/69/18/72/552691872.db2.gz CQUPDEDEIUXXRU-FQEVSTJZSA-N 0 3 372.469 2.365 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1OC ZINC000292274002 552711168 /nfs/dbraw/zinc/71/11/68/552711168.db2.gz QLZVWJWZDPXFMC-GOSISDBHSA-N 0 3 363.414 2.170 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292725232 552752800 /nfs/dbraw/zinc/75/28/00/552752800.db2.gz GCQSWZOQBVEDLO-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000292750811 552755217 /nfs/dbraw/zinc/75/52/17/552755217.db2.gz UKXAANHBPMWMPN-VIFPVBQESA-N 0 3 369.365 2.090 20 5 FEBDHN C[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706828 552848887 /nfs/dbraw/zinc/84/88/87/552848887.db2.gz LRKNROJAIOEZDJ-KBXCAEBGSA-N 0 3 370.453 2.247 20 5 FEBDHN C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN(C2CCC2)C1 ZINC000293760941 552853703 /nfs/dbraw/zinc/85/37/03/552853703.db2.gz UIXRPQLRESKVMG-GFCCVEGCSA-N 0 3 357.414 2.418 20 5 FEBDHN CSc1ccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000294241285 552890471 /nfs/dbraw/zinc/89/04/71/552890471.db2.gz DXXRYGSFQZRJHE-CYBMUJFWSA-N 0 3 363.443 2.381 20 5 FEBDHN CSc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000294428844 552905482 /nfs/dbraw/zinc/90/54/82/552905482.db2.gz NRLGZWHECCXASB-ZDUSSCGKSA-N 0 3 363.443 2.083 20 5 FEBDHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000294627648 552921589 /nfs/dbraw/zinc/92/15/89/552921589.db2.gz SBFTZMHOZVMCFA-UHFFFAOYSA-N 0 3 362.474 2.382 20 5 FEBDHN COC(=O)Cc1ccc(NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295091051 552958330 /nfs/dbraw/zinc/95/83/30/552958330.db2.gz SFPVRVCBYVKSDQ-AWEZNQCLSA-N 0 3 365.430 2.223 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295363729 552994416 /nfs/dbraw/zinc/99/44/16/552994416.db2.gz JIFNOQGRNQEGRS-CYBMUJFWSA-N 0 3 354.428 2.060 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000295635536 553037201 /nfs/dbraw/zinc/03/72/01/553037201.db2.gz ZQVXBJHKMQQSNT-SFHVURJKSA-N 0 3 355.398 2.153 20 5 FEBDHN CCN(C)C(=O)[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000296359639 553147253 /nfs/dbraw/zinc/14/72/53/553147253.db2.gz QVIGBQPYBSOZRZ-KRWDZBQOSA-N 0 3 364.446 2.324 20 5 FEBDHN C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000296620793 553188554 /nfs/dbraw/zinc/18/85/54/553188554.db2.gz ZFBFASPGTOAEOE-LRDDRELGSA-N 0 3 352.460 2.392 20 5 FEBDHN C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN(C2CC2)C1 ZINC000298218578 553399536 /nfs/dbraw/zinc/39/95/36/553399536.db2.gz HBQLFCQKDYVXSQ-GFCCVEGCSA-N 0 3 372.429 2.097 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccccc2)CC1 ZINC000298273590 553406915 /nfs/dbraw/zinc/40/69/15/553406915.db2.gz CGTXHPQZEGZCLW-UHFFFAOYSA-N 0 3 355.398 2.165 20 5 FEBDHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524858 553435974 /nfs/dbraw/zinc/43/59/74/553435974.db2.gz VZZAMCAMFDSMKL-SCLBCKFNSA-N 0 3 370.409 2.171 20 5 FEBDHN O=C(CCN(CCCO)Cc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000298593175 553446085 /nfs/dbraw/zinc/44/60/85/553446085.db2.gz RVMDMUAOOVBICI-UHFFFAOYSA-N 0 3 358.398 2.203 20 5 FEBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000298940785 553492582 /nfs/dbraw/zinc/49/25/82/553492582.db2.gz CYCPAHCSHRGLMB-UHFFFAOYSA-N 0 3 371.434 2.373 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299525127 553575790 /nfs/dbraw/zinc/57/57/90/553575790.db2.gz DEUOFCAKHYEHON-CABCVRRESA-N 0 3 374.441 2.235 20 5 FEBDHN CCN1CCN([C@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301710448 553673509 /nfs/dbraw/zinc/67/35/09/553673509.db2.gz XMYIIELIWYIOFA-LLVKDONJSA-N 0 3 372.267 2.190 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301914289 553691555 /nfs/dbraw/zinc/69/15/55/553691555.db2.gz IBCAQRXQUXYKNG-LLVKDONJSA-N 0 3 371.235 2.418 20 5 FEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000507291915 561723999 /nfs/dbraw/zinc/72/39/99/561723999.db2.gz OZAHACPAXXHAJU-INIZCTEOSA-N 0 3 355.460 2.139 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCN(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000508037065 561749252 /nfs/dbraw/zinc/74/92/52/561749252.db2.gz JAXBCHWJJXQWTI-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000331906529 554344038 /nfs/dbraw/zinc/34/40/38/554344038.db2.gz KFBGKXSFOLFAFK-RKVPGOIHSA-N 0 3 350.415 2.355 20 5 FEBDHN CCN1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000332056206 554371430 /nfs/dbraw/zinc/37/14/30/554371430.db2.gz OSYDOFVUMZKWRX-ZIAGYGMSSA-N 0 3 362.430 2.307 20 5 FEBDHN CN1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337585 554428533 /nfs/dbraw/zinc/42/85/33/554428533.db2.gz WDZHPFVRAZPWOT-CABCVRRESA-N 0 3 370.247 2.262 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@@H]3CCCCN3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332472566 554452529 /nfs/dbraw/zinc/45/25/29/554452529.db2.gz KLDDFOQOLJVKQF-KBPBESRZSA-N 0 3 362.430 2.101 20 5 FEBDHN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1=CCN(C)CC1 ZINC000511343447 561866096 /nfs/dbraw/zinc/86/60/96/561866096.db2.gz LMJRMBOQKGOXLS-ZDUSSCGKSA-N 0 3 355.398 2.161 20 5 FEBDHN CN(CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511424528 561868828 /nfs/dbraw/zinc/86/88/28/561868828.db2.gz GDOJHWSBZVMUKU-UHFFFAOYSA-N 0 3 355.442 2.244 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](N2CCCC2)C1 ZINC000363193837 555050533 /nfs/dbraw/zinc/05/05/33/555050533.db2.gz ZVZFWUBCDAMSPT-HIFRSBDPSA-N 0 3 362.430 2.101 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000363680233 555162516 /nfs/dbraw/zinc/16/25/16/555162516.db2.gz YHJIXEZNBQVPJQ-OAHLLOKOSA-N 0 3 374.441 2.319 20 5 FEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000363695447 555166244 /nfs/dbraw/zinc/16/62/44/555166244.db2.gz BBFUEXDYJRGZNQ-IRXDYDNUSA-N 0 3 372.400 2.367 20 5 FEBDHN O=C(CCN1CCOC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364257079 555279651 /nfs/dbraw/zinc/27/96/51/555279651.db2.gz BGXRLTHEYUYONY-UHFFFAOYSA-N 0 3 363.414 2.195 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000364504184 555325605 /nfs/dbraw/zinc/32/56/05/555325605.db2.gz GEVUDYVTIMLNAR-AWEZNQCLSA-N 0 3 353.444 2.070 20 5 FEBDHN Cn1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2cccnc2)n1 ZINC000365116619 555489077 /nfs/dbraw/zinc/48/90/77/555489077.db2.gz KRHNUSPVGDEOQF-UHFFFAOYSA-N 0 3 367.413 2.424 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2cnccn2)CC1 ZINC000365150066 555495765 /nfs/dbraw/zinc/49/57/65/555495765.db2.gz ISTBZQKTYGQALW-HNNXBMFYSA-N 0 3 358.398 2.004 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(n2cccn2)CC1 ZINC000365159611 555497962 /nfs/dbraw/zinc/49/79/62/555497962.db2.gz JWNLCTZUBLHVJG-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN CCOc1cc(CN2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190194 555506285 /nfs/dbraw/zinc/50/62/85/555506285.db2.gz FVXIQGLSKXERAQ-KRWDZBQOSA-N 0 3 362.474 2.205 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365265806 555526934 /nfs/dbraw/zinc/52/69/34/555526934.db2.gz JFFZQHCNFNYONQ-XAUMDUMWSA-N 0 3 372.421 2.220 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000513026661 561922838 /nfs/dbraw/zinc/92/28/38/561922838.db2.gz DXJZUBXNUXODQD-QTLSWZBMSA-N 0 3 359.348 2.461 20 5 FEBDHN COCCCN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000365422737 555571221 /nfs/dbraw/zinc/57/12/21/555571221.db2.gz FGXUPUAKBHYTFN-UHFFFAOYSA-N 0 3 366.418 2.180 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000366034947 555732728 /nfs/dbraw/zinc/73/27/28/555732728.db2.gz ZSUKAPFZBIWYPT-KRWDZBQOSA-N 0 3 361.446 2.227 20 5 FEBDHN CSc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366561491 555875798 /nfs/dbraw/zinc/87/57/98/555875798.db2.gz BNUZNSMEDTUCMV-AWEZNQCLSA-N 0 3 365.455 2.300 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367648613 556104830 /nfs/dbraw/zinc/10/48/30/556104830.db2.gz KEXRHUILLIJWPC-UHFFFAOYSA-N 0 3 363.377 2.314 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4C)C[C@H]3C2)no1 ZINC000368212344 556250376 /nfs/dbraw/zinc/25/03/76/556250376.db2.gz MUDPLABBTFRVLA-IYBDPMFKSA-N 0 3 371.441 2.412 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000368615161 556363771 /nfs/dbraw/zinc/36/37/71/556363771.db2.gz RUXGASYMAHIHRE-IXDOHACOSA-N 0 3 364.442 2.473 20 5 FEBDHN O=C(Nc1cnccn1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368790834 556413457 /nfs/dbraw/zinc/41/34/57/556413457.db2.gz OSIUHIUDVXRMFE-UHFFFAOYSA-N 0 3 371.397 2.114 20 5 FEBDHN Cn1cc([C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552345 562014821 /nfs/dbraw/zinc/01/48/21/562014821.db2.gz DUCBJDJLQSRJFT-CVEARBPZSA-N 0 3 374.441 2.194 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359131 556579597 /nfs/dbraw/zinc/57/95/97/556579597.db2.gz PCIAQJWHULKICT-BNOWGMLFSA-N 0 3 353.444 2.276 20 5 FEBDHN COCCCN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000369507931 556614416 /nfs/dbraw/zinc/61/44/16/556614416.db2.gz SBQNEKUOBOZVKE-UHFFFAOYSA-N 0 3 350.419 2.479 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000516572071 562048827 /nfs/dbraw/zinc/04/88/27/562048827.db2.gz KCJVKXWONXUUSQ-UHFFFAOYSA-N 0 3 374.235 2.008 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503408 556892878 /nfs/dbraw/zinc/89/28/78/556892878.db2.gz SJKKRDCHOYXXNS-OAHLLOKOSA-N 0 3 355.394 2.493 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370505168 556893429 /nfs/dbraw/zinc/89/34/29/556893429.db2.gz QLDCUUZJEQWXTR-AWEZNQCLSA-N 0 3 356.382 2.268 20 5 FEBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000370538111 556902886 /nfs/dbraw/zinc/90/28/86/556902886.db2.gz FCLUJBVIFDUMPH-UHFFFAOYSA-N 0 3 350.444 2.081 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000371307045 557139678 /nfs/dbraw/zinc/13/96/78/557139678.db2.gz ADAMUSFZVQJFJM-LJQANCHMSA-N 0 3 369.425 2.446 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000371307045 557139680 /nfs/dbraw/zinc/13/96/80/557139680.db2.gz ADAMUSFZVQJFJM-LJQANCHMSA-N 0 3 369.425 2.446 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000518610795 562115328 /nfs/dbraw/zinc/11/53/28/562115328.db2.gz ZWNFAXCGQNICHO-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN CC(C)[C@@H]1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034998 562123682 /nfs/dbraw/zinc/12/36/82/562123682.db2.gz IPOCOYJLKYHJSW-YOEHRIQHSA-N 0 3 370.471 2.409 20 5 FEBDHN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000373063878 557619687 /nfs/dbraw/zinc/61/96/87/557619687.db2.gz RADJLKBSQAVBJU-PBHICJAKSA-N 0 3 359.474 2.025 20 5 FEBDHN COc1cc(CN[C@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000373153160 557639719 /nfs/dbraw/zinc/63/97/19/557639719.db2.gz LJXGJQHALYQDNC-SUMWQHHRSA-N 0 3 352.387 2.040 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000520123424 562149432 /nfs/dbraw/zinc/14/94/32/562149432.db2.gz AGOSPKJLLHOPQI-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374280653 557857174 /nfs/dbraw/zinc/85/71/74/557857174.db2.gz RDOGNAMSUJQPRL-LJQANCHMSA-N 0 3 371.441 2.128 20 5 FEBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000374849445 557940557 /nfs/dbraw/zinc/94/05/57/557940557.db2.gz DHWGRRPFFUVVMF-MQVJKMGUSA-N 0 3 369.425 2.338 20 5 FEBDHN NC(=O)[C@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000375531294 558044134 /nfs/dbraw/zinc/04/41/34/558044134.db2.gz CLMQCIMUFRWLNP-KRWDZBQOSA-N 0 3 361.423 2.136 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC1(C2CC2)CCOCC1 ZINC000375700591 558069903 /nfs/dbraw/zinc/06/99/03/558069903.db2.gz HCNQNGSKXPIUAS-GFCCVEGCSA-N 0 3 363.414 2.479 20 5 FEBDHN Cc1cc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258632 558300262 /nfs/dbraw/zinc/30/02/62/558300262.db2.gz SUQVOYGUOKPHEN-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000378157793 558492750 /nfs/dbraw/zinc/49/27/50/558492750.db2.gz BDRLVXHXKJPSAL-AWEZNQCLSA-N 0 3 371.393 2.329 20 5 FEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCN(c3nccn4cnnc34)C2)cs1 ZINC000378189964 558499532 /nfs/dbraw/zinc/49/95/32/558499532.db2.gz BMQVRNQDNHZUMJ-LBPRGKRZSA-N 0 3 373.442 2.100 20 5 FEBDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253330 558512249 /nfs/dbraw/zinc/51/22/49/558512249.db2.gz QJKBLYBBUWHAAM-RCCFBDPRSA-N 0 3 361.442 2.494 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000378365096 558539853 /nfs/dbraw/zinc/53/98/53/558539853.db2.gz HUHJBWBVGRJFLA-QGZVFWFLSA-N 0 3 374.485 2.372 20 5 FEBDHN COc1ccc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945430 562238079 /nfs/dbraw/zinc/23/80/79/562238079.db2.gz VJJZRYWSAUYPJK-HXUWFJFHSA-N 0 3 371.437 2.330 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000525103985 562240652 /nfs/dbraw/zinc/24/06/52/562240652.db2.gz VUJCBVWOPVXTBC-NWDGAFQWSA-N 0 3 351.403 2.215 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411929986 558990145 /nfs/dbraw/zinc/99/01/45/558990145.db2.gz YKZAEGZXWSSFSW-LZLYRXPVSA-N 0 3 358.394 2.142 20 5 FEBDHN CO[C@@](C)([C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965815 558996621 /nfs/dbraw/zinc/99/66/21/558996621.db2.gz FZJWPHNXLYZNRD-WBMJQRKESA-N 0 3 356.444 2.162 20 5 FEBDHN NC(=O)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000411968087 558996932 /nfs/dbraw/zinc/99/69/32/558996932.db2.gz FNFALVHFSMVVEF-LSDHHAIUSA-N 0 3 366.377 2.437 20 5 FEBDHN COc1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411968590 558997100 /nfs/dbraw/zinc/99/71/00/558997100.db2.gz ORRHTOUUICMEKM-IBGZPJMESA-N 0 3 355.394 2.232 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975079 558998135 /nfs/dbraw/zinc/99/81/35/558998135.db2.gz UWSPGPNKGYHGLU-APPDUMDISA-N 0 3 351.403 2.335 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1F ZINC000412121377 559015429 /nfs/dbraw/zinc/01/54/29/559015429.db2.gz FIOKNKOXXLNAJU-NEPJUHHUSA-N 0 3 353.394 2.226 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](CC(C)C)CN(C)C)c1F ZINC000412165769 559017807 /nfs/dbraw/zinc/01/78/07/559017807.db2.gz FEJAKZFMTAJPFT-LBPRGKRZSA-N 0 3 355.410 2.378 20 5 FEBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000413532749 559114664 /nfs/dbraw/zinc/11/46/64/559114664.db2.gz NJRFEMIIYUDCKP-HZPDHXFCSA-N 0 3 359.430 2.277 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409010 559310870 /nfs/dbraw/zinc/31/08/70/559310870.db2.gz TVJMLSKDQGJGHW-ZIAGYGMSSA-N 0 3 355.460 2.172 20 5 FEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1NCCc2ccccc21 ZINC000417234920 559354183 /nfs/dbraw/zinc/35/41/83/559354183.db2.gz QNMCLDKRUDBSII-GOSISDBHSA-N 0 3 354.410 2.324 20 5 FEBDHN N[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000417771783 559375896 /nfs/dbraw/zinc/37/58/96/559375896.db2.gz VNFSOFRZIWGACT-DLBZAZTESA-N 0 3 354.410 2.274 20 5 FEBDHN CN(C(=O)CN1C[C@@H](c2cccc(F)c2)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420388485 559484733 /nfs/dbraw/zinc/48/47/33/559484733.db2.gz KZZCATRREQORKP-ZWKOTPCHSA-N 0 3 372.400 2.123 20 5 FEBDHN O=C(CN1CCNC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420395989 559485099 /nfs/dbraw/zinc/48/50/99/559485099.db2.gz DWONHVOQQWRDDL-IBGZPJMESA-N 0 3 366.421 2.130 20 5 FEBDHN COc1ccc(NC(=O)CN2CCNC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420399015 559485584 /nfs/dbraw/zinc/48/55/84/559485584.db2.gz HLARHYYWVMXVGU-GOSISDBHSA-N 0 3 370.409 2.188 20 5 FEBDHN N[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420412634 559486412 /nfs/dbraw/zinc/48/64/12/559486412.db2.gz YXIQKBSQSJQYCF-DZGCQCFKSA-N 0 3 358.373 2.099 20 5 FEBDHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420450271 559487956 /nfs/dbraw/zinc/48/79/56/559487956.db2.gz PAVLEIPTDSXLHB-NSHDSACASA-N 0 3 369.365 2.265 20 5 FEBDHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420457512 559488516 /nfs/dbraw/zinc/48/85/16/559488516.db2.gz OQYGTSSAEAFMLH-DTWKUNHWSA-N 0 3 367.349 2.019 20 5 FEBDHN COC1([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000421025679 559520462 /nfs/dbraw/zinc/52/04/62/559520462.db2.gz DPFILCFBLLCDOI-CYBMUJFWSA-N 0 3 351.403 2.015 20 5 FEBDHN COC1([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421032182 559521009 /nfs/dbraw/zinc/52/10/09/559521009.db2.gz LHEXUHOIJGWBFT-ZDUSSCGKSA-N 0 3 351.403 2.015 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489412 559630121 /nfs/dbraw/zinc/63/01/21/559630121.db2.gz WLQJUHZBYJXOGE-KBPBESRZSA-N 0 3 351.357 2.005 20 5 FEBDHN CCCc1[nH]nc(C(=O)[N-]c2nc(C3CC[NH2+]CC3)cs2)c1[N+](=O)[O-] ZINC000423981820 559648946 /nfs/dbraw/zinc/64/89/46/559648946.db2.gz XVQQEOXCIBYILU-UHFFFAOYSA-N 0 3 364.431 2.446 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000427922106 559765271 /nfs/dbraw/zinc/76/52/71/559765271.db2.gz AIRSUKZPLQCMGJ-ZDUSSCGKSA-N 0 3 372.425 2.401 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000433888519 559889917 /nfs/dbraw/zinc/88/99/17/559889917.db2.gz QWZJCEKSRUIWSX-UHFFFAOYSA-N 0 3 361.423 2.408 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1OC ZINC000441258000 560027286 /nfs/dbraw/zinc/02/72/86/560027286.db2.gz BYUOGDKHAYXQHG-ZLDLUXBVSA-N 0 3 351.403 2.478 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109793 560044268 /nfs/dbraw/zinc/04/42/68/560044268.db2.gz IOOCZSWKMQCUGI-MJBXVCDLSA-N 0 3 355.460 2.240 20 5 FEBDHN CN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445995158 560138065 /nfs/dbraw/zinc/13/80/65/560138065.db2.gz YGWFJTXIBBNHFE-GFCCVEGCSA-N 0 3 356.220 2.110 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)c1cccs1 ZINC000449214261 560220650 /nfs/dbraw/zinc/22/06/50/560220650.db2.gz WLTKSUTZYPWJOU-GFCCVEGCSA-N 0 3 369.468 2.155 20 5 FEBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000449672864 560236399 /nfs/dbraw/zinc/23/63/99/560236399.db2.gz NMIUPNANTVZXPW-AWEZNQCLSA-N 0 3 358.402 2.069 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2csc(NC[C@H](O)CN3CCCCC3)n2)cc1 ZINC000450258561 560256069 /nfs/dbraw/zinc/25/60/69/560256069.db2.gz REXIQOTZHIUHDH-HNNXBMFYSA-N 0 3 362.455 2.977 20 5 FEBDHN Cc1nn(C)cc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450735412 560271711 /nfs/dbraw/zinc/27/17/11/560271711.db2.gz FOCCNOUXBRLQMG-UHFFFAOYSA-N 0 3 369.429 2.225 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450806765 560274103 /nfs/dbraw/zinc/27/41/03/560274103.db2.gz FUMBRTDIQXUPRO-AWEZNQCLSA-N 0 3 369.425 2.047 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]21 ZINC000451482695 560309730 /nfs/dbraw/zinc/30/97/30/560309730.db2.gz WRESJEOOCHBSHH-QGTPRVQTSA-N 0 3 359.426 2.277 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000451890273 560335054 /nfs/dbraw/zinc/33/50/54/560335054.db2.gz MZYSQAKXTCTYOZ-UHFFFAOYSA-N 0 3 359.448 2.002 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2OCC)c([N+](=O)[O-])c1 ZINC000452016710 560345743 /nfs/dbraw/zinc/34/57/43/560345743.db2.gz OEJBSYGLYUVDOF-GDBMZVCRSA-N 0 3 351.403 2.479 20 5 FEBDHN COC(=O)c1cc(NC(=O)NC(C)(C)CN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000455261295 560475967 /nfs/dbraw/zinc/47/59/67/560475967.db2.gz VUXSXKURMKOWMP-UHFFFAOYSA-N 0 3 352.391 2.152 20 5 FEBDHN CNc1nc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915707 560500049 /nfs/dbraw/zinc/50/00/49/560500049.db2.gz NLOGKJOBNBOGTB-ZFWWWQNUSA-N 0 3 369.425 2.424 20 5 FEBDHN CNc1nc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456034675 560505148 /nfs/dbraw/zinc/50/51/48/560505148.db2.gz WAJOLBVGVHCOMS-HNNXBMFYSA-N 0 3 369.425 2.283 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457065501 560546552 /nfs/dbraw/zinc/54/65/52/560546552.db2.gz XKOPEKLYVQUWNK-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000459630314 560698603 /nfs/dbraw/zinc/69/86/03/560698603.db2.gz IHEAJBGAWMRCMF-OKILXGFUSA-N 0 3 352.387 2.192 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984001 560877635 /nfs/dbraw/zinc/87/76/35/560877635.db2.gz RVISQRFZJPNVPE-CABCVRRESA-N 0 3 363.462 2.487 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000468463282 560930547 /nfs/dbraw/zinc/93/05/47/560930547.db2.gz ZPBGADGQBSZKMK-INIZCTEOSA-N 0 3 365.430 2.462 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CCC(=O)N(C)C)CC1 ZINC000470174213 560976044 /nfs/dbraw/zinc/97/60/44/560976044.db2.gz IZAMQPFVRCSMFB-DTQAZKPQSA-N 0 3 360.458 2.094 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472618544 561031122 /nfs/dbraw/zinc/03/11/22/561031122.db2.gz NWEMLFGFXHTCEO-VXGBXAGGSA-N 0 3 366.393 2.052 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN(CCC(=O)N(C)C)CC1 ZINC000474149089 561066690 /nfs/dbraw/zinc/06/66/90/561066690.db2.gz GXHLTIBDBSCTFV-UHFFFAOYSA-N 0 3 364.446 2.096 20 5 FEBDHN CCN1CCCC[C@@H]1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358415 561071972 /nfs/dbraw/zinc/07/19/72/561071972.db2.gz VRXVSQAFJDJOFA-OAHLLOKOSA-N 0 3 365.430 2.111 20 5 FEBDHN COC(=O)COc1ccc(CN(C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000475113181 561090836 /nfs/dbraw/zinc/09/08/36/561090836.db2.gz YQJOXELWFVPZQE-UHFFFAOYSA-N 0 3 359.382 2.216 20 5 FEBDHN COC(=O)COc1ccc(CN(C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000475580457 561100332 /nfs/dbraw/zinc/10/03/32/561100332.db2.gz FJGBKHVHXJYIOH-CQSZACIVSA-N 0 3 364.398 2.148 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000476356866 561117462 /nfs/dbraw/zinc/11/74/62/561117462.db2.gz UOAIZLWIHMTRES-UHFFFAOYSA-N 0 3 363.443 2.032 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476812852 561128949 /nfs/dbraw/zinc/12/89/49/561128949.db2.gz DIAUCVXIXSAVIH-OAHLLOKOSA-N 0 3 359.430 2.215 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000477021441 561134443 /nfs/dbraw/zinc/13/44/43/561134443.db2.gz AIAANPGTIMVSSS-HOCLYGCPSA-N 0 3 371.441 2.453 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577189 568058651 /nfs/dbraw/zinc/05/86/51/568058651.db2.gz ZTBNFZULYFRILE-CJNGLKHVSA-N 0 3 362.430 2.228 20 5 FEBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927235 568705972 /nfs/dbraw/zinc/70/59/72/568705972.db2.gz VLPTVGWMGLWFSH-JGVFFNPUSA-N 0 3 355.338 2.018 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925095 568717787 /nfs/dbraw/zinc/71/77/87/568717787.db2.gz CGYMMNKNEFJXQV-DXCKQFNASA-N 0 3 367.833 2.397 20 5 FEBDHN C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824568618 607530619 /nfs/dbraw/zinc/53/06/19/607530619.db2.gz BCIXZOQBMXUNCW-MEDUHNTESA-N 0 3 354.370 2.159 20 5 FEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCC1CS(=O)(=O)C1 ZINC000811493170 674608712 /nfs/dbraw/zinc/60/87/12/674608712.db2.gz FUSMCLSTUIITHR-UHFFFAOYSA-N 0 3 353.227 2.426 20 5 FEBDHN CC(COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813106537 674720571 /nfs/dbraw/zinc/72/05/71/674720571.db2.gz CWBIURRMFLMWCX-OCCSQVGLSA-N 0 3 352.387 2.331 20 5 FEBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1cccs1 ZINC000813110418 674720895 /nfs/dbraw/zinc/72/08/95/674720895.db2.gz ADHGJCWWQRGDJE-SECBINFHSA-N 0 3 356.429 2.327 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3c(F)cccc3Cl)C[C@H]2C1 ZINC001048812107 675015502 /nfs/dbraw/zinc/01/55/02/675015502.db2.gz AGYMONFAVBSIDB-AZKPJATDSA-N 0 3 367.808 2.035 20 5 FEBDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000041660691 670148643 /nfs/dbraw/zinc/14/86/43/670148643.db2.gz NXDFFEIXGNQERL-UHFFFAOYSA-N 0 3 368.821 2.035 20 5 FEBDHN CC(C)(C)CC[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574519548 671249432 /nfs/dbraw/zinc/24/94/32/671249432.db2.gz SRPZXINURHCOOJ-CYBMUJFWSA-N 0 3 358.460 2.145 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCN1CCC(OC)CC1 ZINC000587993829 672443866 /nfs/dbraw/zinc/44/38/66/672443866.db2.gz XOFYRAREJVNCSJ-UHFFFAOYSA-N 0 3 351.403 2.213 20 5 FEBDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000588973890 672497178 /nfs/dbraw/zinc/49/71/78/672497178.db2.gz KHANMDCOTNFHLF-AWEZNQCLSA-N 0 3 369.487 2.477 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045983 672556083 /nfs/dbraw/zinc/55/60/83/672556083.db2.gz ZJDCEWQOQCNUPU-NOZJJQNGSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590442727 672582831 /nfs/dbraw/zinc/58/28/31/672582831.db2.gz GUXMFSXNBNVGEV-MISXGVKJSA-N 0 3 353.806 2.178 20 5 FEBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959475 673181137 /nfs/dbraw/zinc/18/11/37/673181137.db2.gz DKPJEQGGWKLWEZ-ORPWPGRKSA-N 0 3 354.428 2.145 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000462579348 673265160 /nfs/dbraw/zinc/26/51/60/673265160.db2.gz VRCHWLDEYAFFNO-OAHLLOKOSA-N 0 3 367.471 2.446 20 5 FEBDHN COC[C@@H](CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000595562893 673267332 /nfs/dbraw/zinc/26/73/32/673267332.db2.gz MWEYGRAYVVKGGZ-BRWVUGGUSA-N 0 3 352.431 2.362 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000539480941 673492427 /nfs/dbraw/zinc/49/24/27/673492427.db2.gz CNEKCZTYTCQUBT-KGLIPLIRSA-N 0 3 372.878 2.164 20 5 FEBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693056 673499667 /nfs/dbraw/zinc/49/96/67/673499667.db2.gz ADLSFRBSWQXUGP-HOTGVXAUSA-N 0 3 365.455 2.009 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598377697 673563947 /nfs/dbraw/zinc/56/39/47/673563947.db2.gz ZLFLKCWJJBDCMP-LBPRGKRZSA-N 0 3 353.806 2.231 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467812 673771518 /nfs/dbraw/zinc/77/15/18/673771518.db2.gz CULWIFPRLTUGKK-MGPQQGTHSA-N 0 3 355.460 2.240 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601272048 673837140 /nfs/dbraw/zinc/83/71/40/673837140.db2.gz CNTQTRSBPIOGRI-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601339454 673844907 /nfs/dbraw/zinc/84/49/07/673844907.db2.gz YJALIRIALVRNAN-UHFFFAOYSA-N 0 3 359.423 2.005 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])s1 ZINC000601372461 673850474 /nfs/dbraw/zinc/85/04/74/673850474.db2.gz YTWQAANKXQWOMY-VXGBXAGGSA-N 0 3 359.473 2.070 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375555 673851244 /nfs/dbraw/zinc/85/12/44/673851244.db2.gz XPJRTNURKPBGLM-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000827500956 675760914 /nfs/dbraw/zinc/76/09/14/675760914.db2.gz OYORSDZNXVHRAN-ZDUSSCGKSA-N 0 3 368.865 2.312 20 5 FEBDHN Cn1c(C(=O)NCC2(N3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000603612691 675800506 /nfs/dbraw/zinc/80/05/06/675800506.db2.gz JSBHVRHUMSCVNZ-UHFFFAOYSA-N 0 3 352.460 2.025 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217668 679948959 /nfs/dbraw/zinc/94/89/59/679948959.db2.gz FWSXMKLROQKCDW-SUYBPPKGSA-N 0 3 367.833 2.397 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1ccc(Cl)s1)C2 ZINC000981763064 680250660 /nfs/dbraw/zinc/25/06/60/680250660.db2.gz DEHNSAYHLOCDPN-CHWSQXEVSA-N 0 3 369.874 2.491 20 5 FEBDHN CCCc1nc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000985426546 680446757 /nfs/dbraw/zinc/44/67/57/680446757.db2.gz SDUMUUMWOOIPEJ-HUUCEWRRSA-N 0 3 366.487 2.184 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(C)CC2)cc1Cl ZINC000836367470 680458620 /nfs/dbraw/zinc/45/86/20/680458620.db2.gz DBIUYWIGCUELTE-UHFFFAOYSA-N 0 3 368.865 2.314 20 5 FEBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599889 680487929 /nfs/dbraw/zinc/48/79/29/680487929.db2.gz NXCDEPPRRCFAMF-LLVKDONJSA-N 0 3 356.810 2.217 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913977383 685490941 /nfs/dbraw/zinc/49/09/41/685490941.db2.gz LNNABNIARGTCNM-AWEZNQCLSA-N 0 3 360.819 2.443 20 5 FEBDHN CC(COC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)[N+](=O)[O-] ZINC000851036123 682003848 /nfs/dbraw/zinc/00/38/48/682003848.db2.gz FPWINCIHWKHRFC-JTQLQIEISA-N 0 3 356.379 2.174 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575434 682980982 /nfs/dbraw/zinc/98/09/82/682980982.db2.gz BJZWIVGSWBZWEO-UFGOTCBOSA-N 0 3 368.821 2.080 20 5 FEBDHN O=C(CCN1CCN(CCCF)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860008153 683186714 /nfs/dbraw/zinc/18/67/14/683186714.db2.gz PBAXECLZEBDZOP-UHFFFAOYSA-N 0 3 356.373 2.040 20 5 FEBDHN C[C@H]1[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928456113 683455151 /nfs/dbraw/zinc/45/51/51/683455151.db2.gz NTEWBRURSPVMHZ-CABZTGNLSA-N 0 3 361.320 2.358 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455803 683455231 /nfs/dbraw/zinc/45/52/31/683455231.db2.gz UKMFVGGJMKPOCH-SCZZXKLOSA-N 0 3 359.329 2.027 20 5 FEBDHN COc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000922707908 683770019 /nfs/dbraw/zinc/77/00/19/683770019.db2.gz FWYFPJLZIXXGCY-NSHDSACASA-N 0 3 363.336 2.425 20 5 FEBDHN COc1cc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000922752604 683777413 /nfs/dbraw/zinc/77/74/13/683777413.db2.gz SSKKAOAYHWVMJW-CYBMUJFWSA-N 0 3 351.325 2.281 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869777490 684654530 /nfs/dbraw/zinc/65/45/30/684654530.db2.gz IBHFRYAMYHPLHP-NSHDSACASA-N 0 3 355.822 2.132 20 5 FEBDHN Cc1c(CNCCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000873047700 685058759 /nfs/dbraw/zinc/05/87/59/685058759.db2.gz ZTYHSYZGUXZQHF-UHFFFAOYSA-N 0 3 364.423 2.475 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874829715 685677109 /nfs/dbraw/zinc/67/71/09/685677109.db2.gz NANJODXHBXUFSF-KGLIPLIRSA-N 0 3 350.394 2.109 20 5 FEBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134438 687004034 /nfs/dbraw/zinc/00/40/34/687004034.db2.gz MVJXRFHZWZTOOH-GJZGRUSLSA-N 0 3 352.822 2.355 20 5 FEBDHN NC(=O)C1(N2CCCCC2)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000882816361 687501467 /nfs/dbraw/zinc/50/14/67/687501467.db2.gz IQIKZSMIFBYBNT-UHFFFAOYSA-N 0 3 350.394 2.044 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000885886059 688178269 /nfs/dbraw/zinc/17/82/69/688178269.db2.gz RACQFDYTCZNXNW-GFCCVEGCSA-N 0 3 353.806 2.231 20 5 FEBDHN O=C(CCN1CC[C@@](CO)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886804565 688315590 /nfs/dbraw/zinc/31/55/90/688315590.db2.gz ZTOBCUZDNOJJOD-CQSZACIVSA-N 0 3 361.320 2.170 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900192370 690481990 /nfs/dbraw/zinc/48/19/90/690481990.db2.gz MTTLKYIYDWOKEA-UHFFFAOYSA-N 0 3 372.828 2.145 20 5 FEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154084 690857137 /nfs/dbraw/zinc/85/71/37/690857137.db2.gz WXSHTNCHCYVJOG-CSMYWGQOSA-N 0 3 354.403 2.075 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901680 721511708 /nfs/dbraw/zinc/51/17/08/721511708.db2.gz XYBFFZRJSFCJBX-WBVHZDCISA-N 0 3 358.373 2.471 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000472657776 889515606 /nfs/dbraw/zinc/51/56/06/889515606.db2.gz AMVBTLMPEDDOCW-ZDUSSCGKSA-N 0 3 360.418 2.083 20 5 FEBDHN O=C(CN1CCN(C2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027120586 539801141 /nfs/dbraw/zinc/80/11/41/539801141.db2.gz JBGIOXFWPGQNCC-UHFFFAOYSA-N 0 3 358.442 2.044 20 5 FEBDHN CCOc1cc(C(=O)NC2CCN(CC)CC2)c([N+](=O)[O-])cc1OC ZINC000029607512 539858680 /nfs/dbraw/zinc/85/86/80/539858680.db2.gz UEMRYEOHGMTWHR-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN CCN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000046939450 540277481 /nfs/dbraw/zinc/27/74/81/540277481.db2.gz JTFOJERLVWUEMF-UHFFFAOYSA-N 0 3 357.414 2.313 20 5 FEBDHN COc1cccc(OC)c1OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000063525156 541172008 /nfs/dbraw/zinc/17/20/08/541172008.db2.gz CVCKUELQDCEKLC-HNNXBMFYSA-N 0 3 362.382 2.142 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(C)CC1 ZINC000067148471 541425581 /nfs/dbraw/zinc/42/55/81/541425581.db2.gz RUYVANPAGUEHRF-AWEZNQCLSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067164657 541427731 /nfs/dbraw/zinc/42/77/31/541427731.db2.gz XJXISPVZCAJYJE-CQSZACIVSA-N 0 3 357.414 2.242 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000068386481 541585684 /nfs/dbraw/zinc/58/56/84/541585684.db2.gz CJQWUILXGHTRIB-CYBMUJFWSA-N 0 3 359.430 2.345 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000068790439 541628809 /nfs/dbraw/zinc/62/88/09/541628809.db2.gz QEWUYSTZZQESAU-KGLIPLIRSA-N 0 3 365.430 2.361 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000068902878 541638370 /nfs/dbraw/zinc/63/83/70/541638370.db2.gz UABPDKPSNOOLHI-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000069425394 541685799 /nfs/dbraw/zinc/68/57/99/541685799.db2.gz NEXDTVGQKFJBLP-OAHLLOKOSA-N 0 3 364.446 2.393 20 5 FEBDHN CC(C)N1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000073921791 542015081 /nfs/dbraw/zinc/01/50/81/542015081.db2.gz CMWPGDPWZSQCEH-UHFFFAOYSA-N 0 3 350.375 2.448 20 5 FEBDHN Cc1ccc(C)c(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000075647285 542196159 /nfs/dbraw/zinc/19/61/59/542196159.db2.gz AXGLOPNTDPQMHO-KRWDZBQOSA-N 0 3 374.441 2.312 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076380816 542270432 /nfs/dbraw/zinc/27/04/32/542270432.db2.gz CNJSAHOVELZYSL-CYBMUJFWSA-N 0 3 372.429 2.088 20 5 FEBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078489894 542463772 /nfs/dbraw/zinc/46/37/72/542463772.db2.gz BKKNZXYGWMTFOA-UHFFFAOYSA-N 0 3 357.842 2.205 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCCCC1 ZINC000079282085 542509998 /nfs/dbraw/zinc/50/99/98/542509998.db2.gz XEXMENKUEQTOTC-CQSZACIVSA-N 0 3 355.460 2.136 20 5 FEBDHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000079350655 542513487 /nfs/dbraw/zinc/51/34/87/542513487.db2.gz YWZFTFYCFUFMDE-QGZVFWFLSA-N 0 3 368.437 2.422 20 5 FEBDHN Nc1nc(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000080697458 542602157 /nfs/dbraw/zinc/60/21/57/542602157.db2.gz KJYVHJCNDYERSK-LJQANCHMSA-N 0 3 368.441 2.460 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891785 543253200 /nfs/dbraw/zinc/25/32/00/543253200.db2.gz SJWMLUDOTBOZOG-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000113646582 543494661 /nfs/dbraw/zinc/49/46/61/543494661.db2.gz NAPMUNUNJZWACP-OAHLLOKOSA-N 0 3 362.430 2.222 20 5 FEBDHN CC(C)N1CCN(c2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000123340411 543756039 /nfs/dbraw/zinc/75/60/39/543756039.db2.gz IDTFAKGBTJEBSC-UHFFFAOYSA-N 0 3 372.429 2.111 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC000126008240 543913463 /nfs/dbraw/zinc/91/34/63/543913463.db2.gz SDBCYJFASUEWFF-UHFFFAOYSA-N 0 3 361.489 2.279 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000126769979 543955738 /nfs/dbraw/zinc/95/57/38/543955738.db2.gz GCUPHNJVPQLNEO-INIZCTEOSA-N 0 3 373.409 2.077 20 5 FEBDHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000127980932 544026162 /nfs/dbraw/zinc/02/61/62/544026162.db2.gz JFHXDEHLOIRDOW-CYBMUJFWSA-N 0 3 372.381 2.137 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000127571323 544000816 /nfs/dbraw/zinc/00/08/16/544000816.db2.gz XAECFSKCIYYATM-HUUCEWRRSA-N 0 3 373.457 2.052 20 5 FEBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC(N3CCCC3)CC2)cc1 ZINC000129621845 544120668 /nfs/dbraw/zinc/12/06/68/544120668.db2.gz PCFHKBWGNUEZDZ-UHFFFAOYSA-N 0 3 367.471 2.027 20 5 FEBDHN Cc1nccn1CCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488243 544153078 /nfs/dbraw/zinc/15/30/78/544153078.db2.gz LXFSJRRBVDWABF-QGZVFWFLSA-N 0 3 357.414 2.227 20 5 FEBDHN CN(C)CCOc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000135522374 544350830 /nfs/dbraw/zinc/35/08/30/544350830.db2.gz LGHPHPXJMKMAIB-UHFFFAOYSA-N 0 3 359.386 2.252 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000136548632 544374545 /nfs/dbraw/zinc/37/45/45/544374545.db2.gz KCEMGYQVJMMNBH-CHWSQXEVSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000151637417 544565309 /nfs/dbraw/zinc/56/53/09/544565309.db2.gz IJPYKWBCSQBOOH-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000151801093 544582366 /nfs/dbraw/zinc/58/23/66/544582366.db2.gz IVRPVKYPVYBFHN-KGLIPLIRSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000152865647 544704494 /nfs/dbraw/zinc/70/44/94/544704494.db2.gz OZTATBUCZXKHTJ-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183584866 327825493 /nfs/dbraw/zinc/82/54/93/327825493.db2.gz ORRQJHJTLXXFKP-UHFFFAOYSA-N 0 3 351.407 2.001 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000189926405 328176467 /nfs/dbraw/zinc/17/64/67/328176467.db2.gz XRYLMYWRKAUGRE-UHFFFAOYSA-N 0 3 355.460 2.222 20 5 FEBDHN CCCN(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893767 328174421 /nfs/dbraw/zinc/17/44/21/328174421.db2.gz NHOKVMOTCWZDIG-CYBMUJFWSA-N 0 3 355.460 2.166 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190007287 328181906 /nfs/dbraw/zinc/18/19/06/328181906.db2.gz ITIWKHBXDDKQGP-UONOGXRCSA-N 0 3 355.460 2.172 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191995626 328292510 /nfs/dbraw/zinc/29/25/10/328292510.db2.gz BVXCYSAEDJQOAO-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192114674 328300531 /nfs/dbraw/zinc/30/05/31/328300531.db2.gz JITAUASAXZYUCA-WBVHZDCISA-N 0 3 365.336 2.155 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192900542 328345745 /nfs/dbraw/zinc/34/57/45/328345745.db2.gz UXXDWUHKQYZITM-SWLSCSKDSA-N 0 3 357.414 2.131 20 5 FEBDHN O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)N1 ZINC000193475942 328377764 /nfs/dbraw/zinc/37/77/64/328377764.db2.gz OHGNSRUCJMLXFQ-SFHVURJKSA-N 0 3 370.365 2.029 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000041860049 324515042 /nfs/dbraw/zinc/51/50/42/324515042.db2.gz HBOAKSIATPFMGL-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN CCS(=O)(=O)NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237054642 328503039 /nfs/dbraw/zinc/50/30/39/328503039.db2.gz FKVLLQSJJVRFRN-UHFFFAOYSA-N 0 3 369.468 2.352 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)NC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237552532 328519976 /nfs/dbraw/zinc/51/99/76/328519976.db2.gz FBWLIZNPAJRMSX-STQMWFEESA-N 0 3 371.441 2.279 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000083992006 325227240 /nfs/dbraw/zinc/22/72/40/325227240.db2.gz IUFJAILYUOSXJQ-LLVKDONJSA-N 0 3 361.851 2.271 20 5 FEBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000101576308 325473080 /nfs/dbraw/zinc/47/30/80/325473080.db2.gz VHMNBQHAAWCSHL-UHFFFAOYSA-N 0 3 359.423 2.134 20 5 FEBDHN O=C(CN1CCC[C@H](N2CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000108376691 325641050 /nfs/dbraw/zinc/64/10/50/325641050.db2.gz IAJFXZFJXLBQEQ-SFHVURJKSA-N 0 3 372.469 2.434 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000112917601 325812858 /nfs/dbraw/zinc/81/28/58/325812858.db2.gz NWJMGYIJCDWPEZ-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116620964 326027723 /nfs/dbraw/zinc/02/77/23/326027723.db2.gz FFNHRCVJFKAHSE-UHFFFAOYSA-N 0 3 371.441 2.407 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116620964 326027726 /nfs/dbraw/zinc/02/77/26/326027726.db2.gz FFNHRCVJFKAHSE-UHFFFAOYSA-N 0 3 371.441 2.407 20 5 FEBDHN COCCOC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000116885098 326039915 /nfs/dbraw/zinc/03/99/15/326039915.db2.gz FVMXQMWLOGHJIX-UHFFFAOYSA-N 0 3 365.430 2.359 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000116907559 326041541 /nfs/dbraw/zinc/04/15/41/326041541.db2.gz LBWIRACGDPXPIP-LBPRGKRZSA-N 0 3 367.402 2.363 20 5 FEBDHN CC1(C)C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000120516011 326265194 /nfs/dbraw/zinc/26/51/94/326265194.db2.gz BCFQUUAPJNWTLA-AWEZNQCLSA-N 0 3 356.444 2.304 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121184283 326320061 /nfs/dbraw/zinc/32/00/61/326320061.db2.gz LXBYZKTWJKNMKA-GUYCJALGSA-N 0 3 357.414 2.193 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1C ZINC000122345275 326393288 /nfs/dbraw/zinc/39/32/88/326393288.db2.gz ZTOIUTLYRQMEHM-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122426834 326396576 /nfs/dbraw/zinc/39/65/76/326396576.db2.gz WEWOTGNAPFUIQQ-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000132354219 326591182 /nfs/dbraw/zinc/59/11/82/326591182.db2.gz AWQGQCNXVPGPHP-UHFFFAOYSA-N 0 3 371.434 2.291 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](N2CCCC2)C1 ZINC000134583286 326628085 /nfs/dbraw/zinc/62/80/85/326628085.db2.gz LZRLFEXOVPNFSJ-CQSZACIVSA-N 0 3 355.398 2.091 20 5 FEBDHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159125833 326919691 /nfs/dbraw/zinc/91/96/91/326919691.db2.gz AVMVOXMDQAJLIC-UHFFFAOYSA-N 0 3 359.386 2.435 20 5 FEBDHN Cc1cc(NC(=O)c2n[n-]cc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000161923842 327012611 /nfs/dbraw/zinc/01/26/11/327012611.db2.gz LINYMEWIFRQXSW-UHFFFAOYSA-N 0 3 359.386 2.353 20 5 FEBDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162776441 327034429 /nfs/dbraw/zinc/03/44/29/327034429.db2.gz CTYYLLNSUQIJEF-MRXNPFEDSA-N 0 3 369.487 2.321 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902795 327168969 /nfs/dbraw/zinc/16/89/69/327168969.db2.gz ATUZIMBBESNLPN-CZUORRHYSA-N 0 3 350.419 2.066 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000173518612 327263495 /nfs/dbraw/zinc/26/34/95/327263495.db2.gz RQMYHUPCAHCNKN-OAHLLOKOSA-N 0 3 371.441 2.223 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867823 327290097 /nfs/dbraw/zinc/29/00/97/327290097.db2.gz XVADLXCXFVYDEN-ZDUSSCGKSA-N 0 3 371.434 2.277 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867823 327290098 /nfs/dbraw/zinc/29/00/98/327290098.db2.gz XVADLXCXFVYDEN-ZDUSSCGKSA-N 0 3 371.434 2.277 20 5 FEBDHN C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105464 327306478 /nfs/dbraw/zinc/30/64/78/327306478.db2.gz NESXSZRSCOPVPC-RHSMWYFYSA-N 0 3 364.446 2.408 20 5 FEBDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721239 327345765 /nfs/dbraw/zinc/34/57/65/327345765.db2.gz GGBBCPHKSVJJOY-ZDUSSCGKSA-N 0 3 374.319 2.183 20 5 FEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000174725009 327346260 /nfs/dbraw/zinc/34/62/60/327346260.db2.gz IPNNNXXFECNKGR-GXFFZTMASA-N 0 3 374.319 2.402 20 5 FEBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175290737 327384857 /nfs/dbraw/zinc/38/48/57/327384857.db2.gz GHTQYUPWASJAMH-KRWDZBQOSA-N 0 3 371.441 2.162 20 5 FEBDHN Cc1n[nH]c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000264945320 329077081 /nfs/dbraw/zinc/07/70/81/329077081.db2.gz IUEVQQJLXMHOIN-UHFFFAOYSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1cc(NC[C@@H](C)N2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264957439 329078397 /nfs/dbraw/zinc/07/83/97/329078397.db2.gz WUWGWXOEQBKULM-OAHLLOKOSA-N 0 3 370.457 2.408 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960585 329176772 /nfs/dbraw/zinc/17/67/72/329176772.db2.gz QBXKDJZIQWHGCK-STQMWFEESA-N 0 3 365.430 2.462 20 5 FEBDHN CC(C)(C)OC(=O)NCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267030779 329284845 /nfs/dbraw/zinc/28/48/45/329284845.db2.gz BCVKUPVDQRPMGD-UHFFFAOYSA-N 0 3 353.423 2.028 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267411659 329324520 /nfs/dbraw/zinc/32/45/20/329324520.db2.gz KOGCKRGXPPWGIV-SWLSCSKDSA-N 0 3 357.414 2.267 20 5 FEBDHN CN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000267959596 329372017 /nfs/dbraw/zinc/37/20/17/329372017.db2.gz ZFZSSFOWFNKTHV-UHFFFAOYSA-N 0 3 360.183 2.320 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000273512692 329870656 /nfs/dbraw/zinc/87/06/56/329870656.db2.gz OAWLCGLRAKINLJ-GOEBONIOSA-N 0 3 365.455 2.255 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000273526634 329871868 /nfs/dbraw/zinc/87/18/68/329871868.db2.gz PNPYODUTHRCAEM-AWEZNQCLSA-N 0 3 369.487 2.129 20 5 FEBDHN CS[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275116849 330012088 /nfs/dbraw/zinc/01/20/88/330012088.db2.gz MJGUIPSDMXJXAB-GOEBONIOSA-N 0 3 365.455 2.012 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275290433 330031208 /nfs/dbraw/zinc/03/12/08/330031208.db2.gz OOZGNOLBHTXFPT-CABCVRRESA-N 0 3 353.419 2.386 20 5 FEBDHN COc1ccc([C@H](O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291393782 330189651 /nfs/dbraw/zinc/18/96/51/330189651.db2.gz BKPNSMINOVSJPX-SFHVURJKSA-N 0 3 360.414 2.246 20 5 FEBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155333732 545513188 /nfs/dbraw/zinc/51/31/88/545513188.db2.gz DUMPCWODDBBHMB-CQSZACIVSA-N 0 3 367.409 2.374 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N(C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155907318 545582774 /nfs/dbraw/zinc/58/27/74/545582774.db2.gz KWVZYLRDPVEMHV-GFCCVEGCSA-N 0 3 351.403 2.289 20 5 FEBDHN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159306416 545941599 /nfs/dbraw/zinc/94/15/99/545941599.db2.gz AVGVEPILYOVGGT-UHFFFAOYSA-N 0 3 363.805 2.366 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478908821 561177906 /nfs/dbraw/zinc/17/79/06/561177906.db2.gz JGLRMKCEDPTIDG-UHFFFAOYSA-N 0 3 357.370 2.353 20 5 FEBDHN NC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000479075372 561180939 /nfs/dbraw/zinc/18/09/39/561180939.db2.gz DCCFXNYCONUDKM-INIZCTEOSA-N 0 3 372.400 2.125 20 5 FEBDHN COc1cc(C(=O)N2CCC(OCCN(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000479077029 561181043 /nfs/dbraw/zinc/18/10/43/561181043.db2.gz FVCOXTIVVXIHLX-UHFFFAOYSA-N 0 3 365.430 2.095 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000176050801 546396519 /nfs/dbraw/zinc/39/65/19/546396519.db2.gz GVIAUUMTGUSRAI-DOMZBBRYSA-N 0 3 350.419 2.085 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000176678356 546475482 /nfs/dbraw/zinc/47/54/82/546475482.db2.gz HZQADIYEWFDUQG-UHFFFAOYSA-N 0 3 364.446 2.012 20 5 FEBDHN CC(C)(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000480765420 561216285 /nfs/dbraw/zinc/21/62/85/561216285.db2.gz ZOFLLTIHWPQNRT-UHFFFAOYSA-N 0 3 369.487 2.179 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000181162768 547262219 /nfs/dbraw/zinc/26/22/19/547262219.db2.gz OPNMNGZPTVJOQF-DCGLDWPTSA-N 0 3 360.414 2.029 20 5 FEBDHN CCO[C@@H]1C[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181905617 547401356 /nfs/dbraw/zinc/40/13/56/547401356.db2.gz XCCRRFWXOHLDFA-IAOVAPTHSA-N 0 3 352.431 2.470 20 5 FEBDHN CCN1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182186767 547449566 /nfs/dbraw/zinc/44/95/66/547449566.db2.gz JZVJNGZNTWDYTE-PBHICJAKSA-N 0 3 369.487 2.031 20 5 FEBDHN CN(C)C(=O)CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000182203718 547452500 /nfs/dbraw/zinc/45/25/00/547452500.db2.gz UGEVNBJNFYDAQB-UHFFFAOYSA-N 0 3 362.430 2.114 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000183288294 547632986 /nfs/dbraw/zinc/63/29/86/547632986.db2.gz MJZRGPMJHMBBDD-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000183578192 547683975 /nfs/dbraw/zinc/68/39/75/547683975.db2.gz MKDMVGZDUQISAK-UHFFFAOYSA-N 0 3 359.386 2.252 20 5 FEBDHN O=C(CN[C@@H](CCO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183720312 547706220 /nfs/dbraw/zinc/70/62/20/547706220.db2.gz XDAYOSYAIYJCDZ-KRWDZBQOSA-N 0 3 361.442 2.405 20 5 FEBDHN Cc1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000183784008 547719553 /nfs/dbraw/zinc/71/95/53/547719553.db2.gz RHGKXKAGMPPLNI-GOSISDBHSA-N 0 3 369.421 2.400 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184067821 547764163 /nfs/dbraw/zinc/76/41/63/547764163.db2.gz JUKWKVBZLMSCRC-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000185850251 548045998 /nfs/dbraw/zinc/04/59/98/548045998.db2.gz HZMGORSENNYCGE-AWEZNQCLSA-N 0 3 353.444 2.091 20 5 FEBDHN C[C@H](C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194441685 548482682 /nfs/dbraw/zinc/48/26/82/548482682.db2.gz KRXOJSCJMOOAPP-CQSZACIVSA-N 0 3 363.439 2.266 20 5 FEBDHN O=C1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000245805836 548997748 /nfs/dbraw/zinc/99/77/48/548997748.db2.gz PZVULDHPCQJSKA-KSSFIOAISA-N 0 3 359.426 2.449 20 5 FEBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000246713221 549194024 /nfs/dbraw/zinc/19/40/24/549194024.db2.gz JTYVNBDYDPIJRF-HOCLYGCPSA-N 0 3 374.441 2.175 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247654901 549369015 /nfs/dbraw/zinc/36/90/15/549369015.db2.gz WYGRROWAOAOVBP-SMDDNHRTSA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248477333 549448072 /nfs/dbraw/zinc/44/80/72/549448072.db2.gz OQMCGUCTGBTBCI-YGRLFVJLSA-N 0 3 359.423 2.003 20 5 FEBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCO[C@@H]1C ZINC000489472064 561412412 /nfs/dbraw/zinc/41/24/12/561412412.db2.gz BVCZWGZEUTYOAJ-RHSMWYFYSA-N 0 3 365.430 2.358 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248847570 549512320 /nfs/dbraw/zinc/51/23/20/549512320.db2.gz UXXDWUHKQYZITM-IUODEOHRSA-N 0 3 357.414 2.131 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252180400 549663709 /nfs/dbraw/zinc/66/37/09/549663709.db2.gz PXFKIQSLKQFPFR-QWHCGFSZSA-N 0 3 370.475 2.035 20 5 FEBDHN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000490630228 561436376 /nfs/dbraw/zinc/43/63/76/561436376.db2.gz JWCRXQOYUFMXGM-PBHICJAKSA-N 0 3 350.438 2.192 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000263809758 549940442 /nfs/dbraw/zinc/94/04/42/549940442.db2.gz MXGXPTSMVDJAPY-MRXNPFEDSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000272238753 550430648 /nfs/dbraw/zinc/43/06/48/550430648.db2.gz XAHQTRBFVZFRIH-LBPRGKRZSA-N 0 3 365.430 2.414 20 5 FEBDHN COC(=O)c1ccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000272891309 550475554 /nfs/dbraw/zinc/47/55/54/550475554.db2.gz AQGWFQPJXVQKGX-MRXNPFEDSA-N 0 3 374.393 2.253 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000277251395 550647914 /nfs/dbraw/zinc/64/79/14/550647914.db2.gz ZLQSUGHYNLVHGS-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H](C)C1 ZINC000277605934 550690776 /nfs/dbraw/zinc/69/07/76/550690776.db2.gz AMGHIXGOECROGK-OLZOCXBDSA-N 0 3 374.445 2.391 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277606735 550691221 /nfs/dbraw/zinc/69/12/21/550691221.db2.gz QDQMYXDOLKBJIR-AWEZNQCLSA-N 0 3 367.471 2.304 20 5 FEBDHN COc1cc(CNC2CCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000277728911 550707214 /nfs/dbraw/zinc/70/72/14/550707214.db2.gz UHXRZUUTKPEPBU-UHFFFAOYSA-N 0 3 373.413 2.161 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1N(C)C ZINC000495657242 561490047 /nfs/dbraw/zinc/49/00/47/561490047.db2.gz SSVBEMVFRBSPCM-JKSUJKDBSA-N 0 3 362.455 2.054 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCOC)CCN(C)C ZINC000282077814 551177792 /nfs/dbraw/zinc/17/77/92/551177792.db2.gz XIQFUPPQSPZWMG-UHFFFAOYSA-N 0 3 354.407 2.035 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000498527504 561527046 /nfs/dbraw/zinc/52/70/46/561527046.db2.gz SHFFDCCWGUZNLJ-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN CCC[C@]1(NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CCOC1 ZINC000285424198 551754499 /nfs/dbraw/zinc/75/44/99/551754499.db2.gz DVFRTQWSZQSYPW-KRWDZBQOSA-N 0 3 351.403 2.481 20 5 FEBDHN COc1ccc([C@H](CN(C)C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000286001699 551836826 /nfs/dbraw/zinc/83/68/26/551836826.db2.gz ITMPAFUBAIOBDD-SFHVURJKSA-N 0 3 373.409 2.401 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021727 551839568 /nfs/dbraw/zinc/83/95/68/551839568.db2.gz ZOJRHVMZSDPKKG-JSGCOSHPSA-N 0 3 363.414 2.311 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288530966 552170001 /nfs/dbraw/zinc/17/00/01/552170001.db2.gz UPGGAHBGTYRWCP-SFHVURJKSA-N 0 3 355.398 2.056 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288530966 552170004 /nfs/dbraw/zinc/17/00/04/552170004.db2.gz UPGGAHBGTYRWCP-SFHVURJKSA-N 0 3 355.398 2.056 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288689056 552198527 /nfs/dbraw/zinc/19/85/27/552198527.db2.gz CNIZOWZATJLTOR-NSHDSACASA-N 0 3 370.837 2.423 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000499930021 561562152 /nfs/dbraw/zinc/56/21/52/561562152.db2.gz MHRYSJDJLMZMOJ-UHFFFAOYSA-N 0 3 372.425 2.090 20 5 FEBDHN C[C@@H](O)C(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289492364 552330252 /nfs/dbraw/zinc/33/02/52/552330252.db2.gz LBYIUDGYSVAUGJ-MRVPVSSYSA-N 0 3 364.183 2.448 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCC[C@@H]2O)c1 ZINC000289515754 552333638 /nfs/dbraw/zinc/33/36/38/552333638.db2.gz NKTKSQCHPSRZEO-RYUDHWBXSA-N 0 3 362.167 2.202 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000289764234 552374749 /nfs/dbraw/zinc/37/47/49/552374749.db2.gz VRFROSLPDNIEKR-MRXNPFEDSA-N 0 3 359.430 2.298 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000290219095 552444091 /nfs/dbraw/zinc/44/40/91/552444091.db2.gz JQIFMOKWRQEIKZ-INIZCTEOSA-N 0 3 374.441 2.183 20 5 FEBDHN Cc1ccccc1CN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290501550 552489378 /nfs/dbraw/zinc/48/93/78/552489378.db2.gz KPPLTVWIDTVMNF-UHFFFAOYSA-N 0 3 369.425 2.474 20 5 FEBDHN C[C@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291191524 552598000 /nfs/dbraw/zinc/59/80/00/552598000.db2.gz STVRBJSFVYINJQ-WFASDCNBSA-N 0 3 355.398 2.164 20 5 FEBDHN CN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291987854 552681983 /nfs/dbraw/zinc/68/19/83/552681983.db2.gz ROCQRHYZYMKRRZ-UHFFFAOYSA-N 0 3 362.213 2.088 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1C ZINC000292698917 552750456 /nfs/dbraw/zinc/75/04/56/552750456.db2.gz DBXUFCKSIAMHPU-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292882638 552768228 /nfs/dbraw/zinc/76/82/28/552768228.db2.gz UITVMIRXRMJUQN-HNNXBMFYSA-N 0 3 373.862 2.355 20 5 FEBDHN CC(C)[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000293076320 552786458 /nfs/dbraw/zinc/78/64/58/552786458.db2.gz OLROWJGCSBVSLW-GOSISDBHSA-N 0 3 361.442 2.261 20 5 FEBDHN C[C@@H](NCCn1cc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294052090 552878236 /nfs/dbraw/zinc/87/82/36/552878236.db2.gz GQXKDAGWLCZPPC-SECBINFHSA-N 0 3 354.208 2.487 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294632106 552922223 /nfs/dbraw/zinc/92/22/23/552922223.db2.gz PZLNCIMQTOVJEB-UHFFFAOYSA-N 0 3 351.447 2.121 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295112697 552960174 /nfs/dbraw/zinc/96/01/74/552960174.db2.gz YLNYHLLQMOJYLT-GFCCVEGCSA-N 0 3 368.865 2.170 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000295426167 553004937 /nfs/dbraw/zinc/00/49/37/553004937.db2.gz XISUWHVSKXVDDK-NEPJUHHUSA-N 0 3 351.378 2.441 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296441304 553160314 /nfs/dbraw/zinc/16/03/14/553160314.db2.gz WOWOPQMYHCNBEA-JLZZUVOBSA-N 0 3 361.398 2.089 20 5 FEBDHN CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)N(C)C1 ZINC000296673278 553196656 /nfs/dbraw/zinc/19/66/56/553196656.db2.gz HUFWRBPUURZEOB-RYUDHWBXSA-N 0 3 354.382 2.225 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000297768947 553336706 /nfs/dbraw/zinc/33/67/06/553336706.db2.gz LWEMOEKDNCUAMO-FZMZJTMJSA-N 0 3 351.378 2.299 20 5 FEBDHN CCN(CC)C(=O)CN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298724640 553464408 /nfs/dbraw/zinc/46/44/08/553464408.db2.gz FHZXFOUQUBGENA-UHFFFAOYSA-N 0 3 362.474 2.013 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000299552689 553580001 /nfs/dbraw/zinc/58/00/01/553580001.db2.gz GEFUBDRGEXDAIG-WDEREUQCSA-N 0 3 368.821 2.128 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(NCC3(N4CCSCC4)CCCC3)nn21 ZINC000301921308 553692074 /nfs/dbraw/zinc/69/20/74/553692074.db2.gz KXXKQENVIBCRQH-UHFFFAOYSA-N 0 3 362.459 2.411 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059569 553700995 /nfs/dbraw/zinc/70/09/95/553700995.db2.gz BCPPOONAHBZHFK-JHJVBQTASA-N 0 3 370.475 2.021 20 5 FEBDHN Cc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302479491 553718070 /nfs/dbraw/zinc/71/80/70/553718070.db2.gz WBCNQUMEMLZYLC-LJQANCHMSA-N 0 3 356.426 2.371 20 5 FEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1CC(C)(C)O ZINC000302522714 553720304 /nfs/dbraw/zinc/72/03/04/553720304.db2.gz YLTMHASQWRYAKK-LLVKDONJSA-N 0 3 359.373 2.478 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330398769 554116360 /nfs/dbraw/zinc/11/63/60/554116360.db2.gz CLVCIBWVEIJMDF-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)CN2CCCC2)cc1C ZINC000330561163 554138656 /nfs/dbraw/zinc/13/86/56/554138656.db2.gz SLMAAJBGYHKEPQ-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN CC(C)[C@@H]1CN(C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034775 554367353 /nfs/dbraw/zinc/36/73/53/554367353.db2.gz JCEDNZQAFZNLIV-INIZCTEOSA-N 0 3 362.430 2.165 20 5 FEBDHN COc1cc(CNC2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000509599755 561806696 /nfs/dbraw/zinc/80/66/96/561806696.db2.gz GYTACMZVUZFOGL-UHFFFAOYSA-N 0 3 363.414 2.103 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508724 554458688 /nfs/dbraw/zinc/45/86/88/554458688.db2.gz HAPKHESIZUIDPI-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@H]1C[C@@H](c2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CCN1C ZINC000351252060 554847377 /nfs/dbraw/zinc/84/73/77/554847377.db2.gz CHLWGUZKNKONJG-AAEUAGOBSA-N 0 3 369.385 2.423 20 5 FEBDHN CSc1ccc(C(=O)N2CCCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000360754367 554888394 /nfs/dbraw/zinc/88/83/94/554888394.db2.gz IXWTVGGLXLEHNN-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391125 554921030 /nfs/dbraw/zinc/92/10/30/554921030.db2.gz IPXCPWFJGUWTBA-YGRLFVJLSA-N 0 3 363.443 2.365 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362080670 554948589 /nfs/dbraw/zinc/94/85/89/554948589.db2.gz SZWXFCDVFWVRHJ-CRAIPNDOSA-N 0 3 362.474 2.061 20 5 FEBDHN CCc1ccc(C(=O)N2CCCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000363327140 555079043 /nfs/dbraw/zinc/07/90/43/555079043.db2.gz KBKBRQQZCPYRRP-UHFFFAOYSA-N 0 3 361.442 2.484 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424215 555102292 /nfs/dbraw/zinc/10/22/92/555102292.db2.gz PMQNMCSCHPMJJJ-SUYBPPKGSA-N 0 3 365.405 2.353 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CCN(C)C)CC1 ZINC000363796341 555188139 /nfs/dbraw/zinc/18/81/39/555188139.db2.gz BMYKPNKYDWMTGK-FOCLMDBBSA-N 0 3 360.458 2.094 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000364173572 555262820 /nfs/dbraw/zinc/26/28/20/555262820.db2.gz JLMOTVHWMUFNMQ-KSSFIOAISA-N 0 3 369.425 2.337 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364213831 555271541 /nfs/dbraw/zinc/27/15/41/555271541.db2.gz QWBGVVYUDOFYHU-CABCVRRESA-N 0 3 359.357 2.309 20 5 FEBDHN N[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364307331 555288693 /nfs/dbraw/zinc/28/86/93/555288693.db2.gz YOALAKZLPJDGDG-CVEARBPZSA-N 0 3 373.384 2.456 20 5 FEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000364331419 555293150 /nfs/dbraw/zinc/29/31/50/555293150.db2.gz YXVKWDKOQSMBMX-MRXNPFEDSA-N 0 3 353.386 2.209 20 5 FEBDHN CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364674313 555370618 /nfs/dbraw/zinc/37/06/18/555370618.db2.gz RJHGNGVWJBYPTH-BBRMVZONSA-N 0 3 372.429 2.040 20 5 FEBDHN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364674313 555370620 /nfs/dbraw/zinc/37/06/20/555370620.db2.gz RJHGNGVWJBYPTH-BBRMVZONSA-N 0 3 372.429 2.040 20 5 FEBDHN Cc1cc(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000365115928 555489386 /nfs/dbraw/zinc/48/93/86/555489386.db2.gz IFSUJKRWSCQTNF-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365265803 555527131 /nfs/dbraw/zinc/52/71/31/555527131.db2.gz JFFZQHCNFNYONQ-MDYRTPRTSA-N 0 3 372.421 2.220 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000365772446 555664521 /nfs/dbraw/zinc/66/45/21/555664521.db2.gz AEIPNRLGYCECQG-MEBBXXQBSA-N 0 3 355.797 2.482 20 5 FEBDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000366697766 555912176 /nfs/dbraw/zinc/91/21/76/555912176.db2.gz RBPWVELKRWFQBO-GJZGRUSLSA-N 0 3 357.414 2.104 20 5 FEBDHN Cc1ccn(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000366766110 555928810 /nfs/dbraw/zinc/92/88/10/555928810.db2.gz XDIRKNVLEGXMCE-KRWDZBQOSA-N 0 3 360.414 2.177 20 5 FEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](N2CCCC2)C1 ZINC000369102975 556505933 /nfs/dbraw/zinc/50/59/33/556505933.db2.gz KTDUBDLNTAUZKI-CYBMUJFWSA-N 0 3 361.398 2.066 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CC1)OCc1ccccc12 ZINC000369775375 556691519 /nfs/dbraw/zinc/69/15/19/556691519.db2.gz XSTGYJLPDFLHPU-UHFFFAOYSA-N 0 3 355.394 2.278 20 5 FEBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369923548 556731522 /nfs/dbraw/zinc/73/15/22/556731522.db2.gz NJCNGDWDBWMJIN-UHFFFAOYSA-N 0 3 370.413 2.187 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2O1 ZINC000370278178 556828290 /nfs/dbraw/zinc/82/82/90/556828290.db2.gz CMWNMSUQKPKYKE-NSHDSACASA-N 0 3 374.372 2.286 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371356063 557158500 /nfs/dbraw/zinc/15/85/00/557158500.db2.gz VAZNUKOUYODDQD-FPTDEYDUSA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1ccc(CN(C)C2CCN(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000371380060 557167240 /nfs/dbraw/zinc/16/72/40/557167240.db2.gz QJMQYSNJFKWELJ-UHFFFAOYSA-N 0 3 374.485 2.422 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000518046742 562103223 /nfs/dbraw/zinc/10/32/23/562103223.db2.gz RJTSBVAALKLLBX-CQSZACIVSA-N 0 3 361.398 2.128 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000371911703 557327104 /nfs/dbraw/zinc/32/71/04/557327104.db2.gz OZWRCJWFWWCMEB-CVEARBPZSA-N 0 3 362.430 2.356 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2N(C)C)c1[N+](=O)[O-] ZINC000373061761 557619259 /nfs/dbraw/zinc/61/92/59/557619259.db2.gz YCSOQBUQKIUFHZ-HUUCEWRRSA-N 0 3 357.414 2.228 20 5 FEBDHN CNc1nc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520245225 562151720 /nfs/dbraw/zinc/15/17/20/562151720.db2.gz ADNQXKLGXARLKY-IBGZPJMESA-N 0 3 369.425 2.426 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374049498 557813717 /nfs/dbraw/zinc/81/37/17/557813717.db2.gz KFOCVWKLDMRXSM-CYBMUJFWSA-N 0 3 358.402 2.230 20 5 FEBDHN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000521079881 562169253 /nfs/dbraw/zinc/16/92/53/562169253.db2.gz ABQOOSQBHAHTNN-MRXNPFEDSA-N 0 3 355.398 2.089 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521154634 562170681 /nfs/dbraw/zinc/17/06/81/562170681.db2.gz DQKLSNCRZYNNGL-UHFFFAOYSA-N 0 3 365.405 2.499 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375038733 557968243 /nfs/dbraw/zinc/96/82/43/557968243.db2.gz LVOPSONJDKXPAF-IAQYHMDHSA-N 0 3 352.822 2.213 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817763 558084414 /nfs/dbraw/zinc/08/44/14/558084414.db2.gz GFRNADQZBZXJJL-PBHICJAKSA-N 0 3 369.425 2.479 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893281 558095082 /nfs/dbraw/zinc/09/50/82/558095082.db2.gz YFSDXWUFDHGEKL-QGZVFWFLSA-N 0 3 362.474 2.074 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451853 558174930 /nfs/dbraw/zinc/17/49/30/558174930.db2.gz XIRZQDCBLLTREX-KSSFIOAISA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1C ZINC000376534436 558186381 /nfs/dbraw/zinc/18/63/81/558186381.db2.gz GSADHSXMJNGJFW-AWEZNQCLSA-N 0 3 353.444 2.070 20 5 FEBDHN Cc1nc(NCC2(O)CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000397608083 558624933 /nfs/dbraw/zinc/62/49/33/558624933.db2.gz QKRYBXBEJPFKBJ-UHFFFAOYSA-N 0 3 356.426 2.737 20 5 FEBDHN O=C(CCN1CCC(O[C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410051184 558734816 /nfs/dbraw/zinc/73/48/16/558734816.db2.gz GTLONLBMQVLQCN-HNNXBMFYSA-N 0 3 363.414 2.193 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525060822 562240016 /nfs/dbraw/zinc/24/00/16/562240016.db2.gz ZRNHCOCNUVSOOZ-ZDUSSCGKSA-N 0 3 363.414 2.359 20 5 FEBDHN CCN(CC)C(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411194853 558851786 /nfs/dbraw/zinc/85/17/86/558851786.db2.gz HWCAPIRJAKJTAO-INIZCTEOSA-N 0 3 362.430 2.256 20 5 FEBDHN O=[N+]([O-])c1c(NC[C@]2(O)CCN(Cc3ccccc3)C2)nc2sccn21 ZINC000525461092 562248589 /nfs/dbraw/zinc/24/85/89/562248589.db2.gz CYQUNJYQYVAVNS-QGZVFWFLSA-N 0 3 373.438 2.353 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411525507 558910667 /nfs/dbraw/zinc/91/06/67/558910667.db2.gz KLJRLGNZAUQWRW-AWEZNQCLSA-N 0 3 364.446 2.387 20 5 FEBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000411655730 558937156 /nfs/dbraw/zinc/93/71/56/558937156.db2.gz MKVMXJBOHHXSPV-UKRRQHHQSA-N 0 3 351.403 2.049 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413252974 559092159 /nfs/dbraw/zinc/09/21/59/559092159.db2.gz TYFVZNMHMQTASU-GOSISDBHSA-N 0 3 360.389 2.202 20 5 FEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000414294834 559155045 /nfs/dbraw/zinc/15/50/45/559155045.db2.gz FCOVNOLHBFKACM-ZBINZKHDSA-N 0 3 357.357 2.450 20 5 FEBDHN CNCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414959652 559197438 /nfs/dbraw/zinc/19/74/38/559197438.db2.gz XMGRUVYQTBIFKW-CYBMUJFWSA-N 0 3 370.409 2.439 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415968741 559286101 /nfs/dbraw/zinc/28/61/01/559286101.db2.gz FOARAVIQEWGTRD-UHFFFAOYSA-N 0 3 372.381 2.407 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416384887 559309056 /nfs/dbraw/zinc/30/90/56/559309056.db2.gz OOOKCKWENNIVBN-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562444 559322139 /nfs/dbraw/zinc/32/21/39/559322139.db2.gz OKHREXQKBBRFFL-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562444 559322140 /nfs/dbraw/zinc/32/21/40/559322140.db2.gz OKHREXQKBBRFFL-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416663634 559328522 /nfs/dbraw/zinc/32/85/22/559328522.db2.gz QXEVNAJHHBUVNO-UHFFFAOYSA-N 0 3 359.423 2.229 20 5 FEBDHN O=C(NCCCNCc1cccnc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417949076 559383475 /nfs/dbraw/zinc/38/34/75/559383475.db2.gz UTBFLSXZSSHRNS-UHFFFAOYSA-N 0 3 357.414 2.011 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420292277 559479124 /nfs/dbraw/zinc/47/91/24/559479124.db2.gz LQAXRGCEBKRQDZ-CVEARBPZSA-N 0 3 360.458 2.108 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420383942 559484389 /nfs/dbraw/zinc/48/43/89/559484389.db2.gz GDJOCWUESZALGC-JKSUJKDBSA-N 0 3 372.400 2.408 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@H]1c1ccccc1 ZINC000420410708 559486322 /nfs/dbraw/zinc/48/63/22/559486322.db2.gz RGIXWCMPGCPQJH-SFHVURJKSA-N 0 3 354.410 2.488 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)cc1C ZINC000420719951 559500359 /nfs/dbraw/zinc/50/03/59/559500359.db2.gz BDUSQGNFIXHVID-UHFFFAOYSA-N 0 3 355.460 2.363 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCc4nnnn4CC3)o2)cc1 ZINC000421399703 559541419 /nfs/dbraw/zinc/54/14/19/559541419.db2.gz QSUAOFKXTTXZIM-ZDUSSCGKSA-N 0 3 354.370 2.336 20 5 FEBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000423995319 559649743 /nfs/dbraw/zinc/64/97/43/559649743.db2.gz UYJHKGBEVCZXJA-OAHLLOKOSA-N 0 3 357.366 2.105 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424013400 559651056 /nfs/dbraw/zinc/65/10/56/559651056.db2.gz REWMZSBRMCYKKY-LSDHHAIUSA-N 0 3 359.357 2.066 20 5 FEBDHN CS(=O)(=O)CCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000424172364 559656734 /nfs/dbraw/zinc/65/67/34/559656734.db2.gz NPCBWAJTUFYZBB-UHFFFAOYSA-N 0 3 352.359 2.111 20 5 FEBDHN CCc1n[nH]c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425005670 559683338 /nfs/dbraw/zinc/68/33/38/559683338.db2.gz LIOHQENSQSWWJF-GOEBONIOSA-N 0 3 369.425 2.227 20 5 FEBDHN CCc1[nH]nc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425005670 559683339 /nfs/dbraw/zinc/68/33/39/559683339.db2.gz LIOHQENSQSWWJF-GOEBONIOSA-N 0 3 369.425 2.227 20 5 FEBDHN COCC(C)(C)N1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000425503369 559706185 /nfs/dbraw/zinc/70/61/85/559706185.db2.gz IWZOXBOCACMBGD-UHFFFAOYSA-N 0 3 367.446 2.025 20 5 FEBDHN CC1CCN(C[C@@H](O)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426405256 559734138 /nfs/dbraw/zinc/73/41/38/559734138.db2.gz QHEVQLOVGOUCPF-KRWDZBQOSA-N 0 3 363.458 2.081 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000426907543 559744055 /nfs/dbraw/zinc/74/40/55/559744055.db2.gz SHUXSTXJFCUMTF-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000427402437 559754881 /nfs/dbraw/zinc/75/48/81/559754881.db2.gz CNEMSMVDFOPTJJ-UHFFFAOYSA-N 0 3 360.370 2.191 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CCO ZINC000429760166 559805102 /nfs/dbraw/zinc/80/51/02/559805102.db2.gz MNDIUXOLDYZSPW-OBJOEFQTSA-N 0 3 351.403 2.071 20 5 FEBDHN CC(=O)c1ccc(NCC(=O)NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000431504762 559840467 /nfs/dbraw/zinc/84/04/67/559840467.db2.gz GVQHLURDWCUDEZ-UHFFFAOYSA-N 0 3 362.430 2.202 20 5 FEBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000431936744 559848827 /nfs/dbraw/zinc/84/88/27/559848827.db2.gz KKELDNVFIQHIIC-WMZOPIPTSA-N 0 3 360.414 2.444 20 5 FEBDHN CCOC(=O)c1cc(NC[C@@H](C)N2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000433707886 559886800 /nfs/dbraw/zinc/88/68/00/559886800.db2.gz FKNQMEWVHQMTLP-CQSZACIVSA-N 0 3 364.446 2.209 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000434035969 559892830 /nfs/dbraw/zinc/89/28/30/559892830.db2.gz KCZBWWLQSNCHOP-STQMWFEESA-N 0 3 367.450 2.061 20 5 FEBDHN CN(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000436183557 559937010 /nfs/dbraw/zinc/93/70/10/559937010.db2.gz AWFLIBQOHTZGDQ-OAHLLOKOSA-N 0 3 357.414 2.088 20 5 FEBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000436718686 559950027 /nfs/dbraw/zinc/95/00/27/559950027.db2.gz FUOUFCPAALJKQV-OAHLLOKOSA-N 0 3 357.414 2.091 20 5 FEBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439684960 559998690 /nfs/dbraw/zinc/99/86/90/559998690.db2.gz MXTNYLTUSOLELH-HNNXBMFYSA-N 0 3 356.430 2.315 20 5 FEBDHN Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440501400 560012687 /nfs/dbraw/zinc/01/26/87/560012687.db2.gz DRIFAMPCXQCBHU-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000440525766 560013716 /nfs/dbraw/zinc/01/37/16/560013716.db2.gz WDHQVYFLZKGBRR-QGZVFWFLSA-N 0 3 361.423 2.023 20 5 FEBDHN COc1ccc(C2(NCCn3ccc([N+](=O)[O-])n3)CCOCC2)cc1F ZINC000444801731 560121139 /nfs/dbraw/zinc/12/11/39/560121139.db2.gz LXAGBEBEZPVEOS-UHFFFAOYSA-N 0 3 364.377 2.235 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446082308 560139636 /nfs/dbraw/zinc/13/96/36/560139636.db2.gz QHLYQDONGCLOEY-CYBMUJFWSA-N 0 3 355.822 2.397 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000446321475 560144251 /nfs/dbraw/zinc/14/42/51/560144251.db2.gz PNDYERQTNYXAKW-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN C[C@@]12CN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555953 560189844 /nfs/dbraw/zinc/18/98/44/560189844.db2.gz NSHANPLCDLUPSN-NFRFBMBCSA-N 0 3 367.405 2.371 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000449319499 560225182 /nfs/dbraw/zinc/22/51/82/560225182.db2.gz KCYAINSZUQDOEO-WFASDCNBSA-N 0 3 361.364 2.379 20 5 FEBDHN CCN(C)C(=O)[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449441033 560230213 /nfs/dbraw/zinc/23/02/13/560230213.db2.gz OEGHHNICQGOGGX-DYVFJYSZSA-N 0 3 364.446 2.404 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450062191 560249597 /nfs/dbraw/zinc/24/95/97/560249597.db2.gz OJZKQCIVHSRLSI-CVEARBPZSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)N1CCO ZINC000451652002 560319559 /nfs/dbraw/zinc/31/95/59/560319559.db2.gz IWAPKVXDRJYJQU-GASCZTMLSA-N 0 3 374.441 2.179 20 5 FEBDHN CC[C@@H]1CN(CC)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451727304 560324928 /nfs/dbraw/zinc/32/49/28/560324928.db2.gz ANRVXVNMWZLKFI-CQSZACIVSA-N 0 3 362.430 2.309 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000453454335 560387039 /nfs/dbraw/zinc/38/70/39/560387039.db2.gz TXCZQHFOQNEKSW-INWMFGNUSA-N 0 3 360.414 2.055 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000454076069 560427278 /nfs/dbraw/zinc/42/72/78/560427278.db2.gz ZIEVORQMHADLFO-UHFFFAOYSA-N 0 3 362.430 2.086 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456316465 560515100 /nfs/dbraw/zinc/51/51/00/560515100.db2.gz AFECTYJRGVJQGA-HNNXBMFYSA-N 0 3 371.441 2.080 20 5 FEBDHN CC[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517297 560629355 /nfs/dbraw/zinc/62/93/55/560629355.db2.gz SHKGYZUZNUCLIV-IAGOWNOFSA-N 0 3 364.446 2.192 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707287 560642381 /nfs/dbraw/zinc/64/23/81/560642381.db2.gz PKVGBWPSUAJPDX-ZDUSSCGKSA-N 0 3 360.418 2.095 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781741 560708031 /nfs/dbraw/zinc/70/80/31/560708031.db2.gz MHXAQINMLACWMM-CVEARBPZSA-N 0 3 364.398 2.194 20 5 FEBDHN C[C@@H]1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000463737091 560822534 /nfs/dbraw/zinc/82/25/34/560822534.db2.gz DCCWXISGFMXXGG-MCIONIFRSA-N 0 3 355.460 2.287 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000467072573 560902959 /nfs/dbraw/zinc/90/29/59/560902959.db2.gz BQNLHEJMNZJMSJ-CMPLNLGQSA-N 0 3 361.489 2.458 20 5 FEBDHN Cc1sc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000467413204 560909708 /nfs/dbraw/zinc/90/97/08/560909708.db2.gz WHYMEBOMJXSMJA-UHFFFAOYSA-N 0 3 359.473 2.117 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000468440546 560930010 /nfs/dbraw/zinc/93/00/10/560930010.db2.gz VZPALZIVRFOKGU-CQSZACIVSA-N 0 3 362.430 2.099 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468476288 560930931 /nfs/dbraw/zinc/93/09/31/560930931.db2.gz SDQYBVVRCQTHSY-INIZCTEOSA-N 0 3 363.414 2.216 20 5 FEBDHN COC(=O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470150025 560975373 /nfs/dbraw/zinc/97/53/73/560975373.db2.gz GBQJHKOBNMRTRV-LRDDRELGSA-N 0 3 358.398 2.379 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000472559886 561029299 /nfs/dbraw/zinc/02/92/99/561029299.db2.gz HWEPMXTWSQBIKP-VXGBXAGGSA-N 0 3 366.393 2.052 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366094 561072297 /nfs/dbraw/zinc/07/22/97/561072297.db2.gz AKVOXOHWXTUFEM-JSGCOSHPSA-N 0 3 352.387 2.194 20 5 FEBDHN CCOC[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926814 561085624 /nfs/dbraw/zinc/08/56/24/561085624.db2.gz BXUDEVMOGZBBFJ-CZUORRHYSA-N 0 3 356.444 2.163 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722718 561103323 /nfs/dbraw/zinc/10/33/23/561103323.db2.gz STDDJWULRFRNRM-GJZGRUSLSA-N 0 3 364.398 2.005 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1Cl ZINC000477012107 561134203 /nfs/dbraw/zinc/13/42/03/561134203.db2.gz KUGOHQXROZRCMU-UHFFFAOYSA-N 0 3 367.793 2.174 20 5 FEBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532139354 562468415 /nfs/dbraw/zinc/46/84/15/562468415.db2.gz WXQMPVRSLIFNFD-UHFFFAOYSA-N 0 3 364.471 2.471 20 5 FEBDHN CN1Cc2ccccc2[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000535271195 562554655 /nfs/dbraw/zinc/55/46/55/562554655.db2.gz PRHSDHAPYJJABE-MRXNPFEDSA-N 0 3 351.366 2.388 20 5 FEBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000536536695 562578207 /nfs/dbraw/zinc/57/82/07/562578207.db2.gz LAXZDGYJVQAOEU-NSHDSACASA-N 0 3 371.426 2.232 20 5 FEBDHN C[C@@H]1CCCC[C@@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375711 562610719 /nfs/dbraw/zinc/61/07/19/562610719.db2.gz WTTVDTJGOBATME-ZIAGYGMSSA-N 0 3 355.460 2.289 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCCN1CCN(C)CC1 ZINC000555995500 674384613 /nfs/dbraw/zinc/38/46/13/674384613.db2.gz HSVAYNRVEVBRAA-UHFFFAOYSA-N 0 3 368.865 2.314 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471164 567966657 /nfs/dbraw/zinc/96/66/57/567966657.db2.gz DNZWBLWTWJWZNU-AWEZNQCLSA-N 0 3 350.419 2.147 20 5 FEBDHN CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCN(C)CC1 ZINC000568699439 568131817 /nfs/dbraw/zinc/13/18/17/568131817.db2.gz WJMYVXGFOZRQBA-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823630542 599059099 /nfs/dbraw/zinc/05/90/99/599059099.db2.gz ZTMAHWRVUDISNO-ZDUSSCGKSA-N 0 3 357.418 2.087 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823630542 599059101 /nfs/dbraw/zinc/05/91/01/599059101.db2.gz ZTMAHWRVUDISNO-ZDUSSCGKSA-N 0 3 357.418 2.087 20 5 FEBDHN CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222104 606185723 /nfs/dbraw/zinc/18/57/23/606185723.db2.gz OROULMLLLUFJEP-GFCCVEGCSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222104 606185725 /nfs/dbraw/zinc/18/57/25/606185725.db2.gz OROULMLLLUFJEP-GFCCVEGCSA-N 0 3 356.390 2.055 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000560583254 674600853 /nfs/dbraw/zinc/60/08/53/674600853.db2.gz WPDOVEBFVSBXIL-HIFRSBDPSA-N 0 3 355.460 2.368 20 5 FEBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813105186 674719994 /nfs/dbraw/zinc/71/99/94/674719994.db2.gz WQDFKBMHNLAAGU-SKDRFNHKSA-N 0 3 358.803 2.064 20 5 FEBDHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104437 674720141 /nfs/dbraw/zinc/72/01/41/674720141.db2.gz CSDGFTDGTFISBS-GXFFZTMASA-N 0 3 370.789 2.162 20 5 FEBDHN COc1ccc(-n2ccnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110096 674720866 /nfs/dbraw/zinc/72/08/66/674720866.db2.gz ZHXVEEPTLOEPRM-NSHDSACASA-N 0 3 351.384 2.181 20 5 FEBDHN Cc1nnc(SCC(=O)OCC(C)[N+](=O)[O-])n1-c1cc(C)ccc1C ZINC000813111418 674720975 /nfs/dbraw/zinc/72/09/75/674720975.db2.gz GYRSEHDLTYCZGK-GFCCVEGCSA-N 0 3 364.427 2.493 20 5 FEBDHN COCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000813291572 674733967 /nfs/dbraw/zinc/73/39/67/674733967.db2.gz URUGEHYPODDSAI-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@H]2C1 ZINC001048814347 675015437 /nfs/dbraw/zinc/01/54/37/675015437.db2.gz GJDRRORJRASEGN-FAXLKDOZSA-N 0 3 367.808 2.035 20 5 FEBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750302 675077170 /nfs/dbraw/zinc/07/71/70/675077170.db2.gz LDLOYDINFHOUKB-CABCVRRESA-N 0 3 353.806 2.183 20 5 FEBDHN COCCN(CCN(C)C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609189059 675913399 /nfs/dbraw/zinc/91/33/99/675913399.db2.gz JFQGDWJSSGEHGK-CYBMUJFWSA-N 0 3 355.460 2.112 20 5 FEBDHN CCc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000609741582 675934929 /nfs/dbraw/zinc/93/49/29/675934929.db2.gz SFFIMLCYBSWGNU-UHFFFAOYSA-N 0 3 369.468 2.287 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000610135421 675956220 /nfs/dbraw/zinc/95/62/20/675956220.db2.gz RPNIGPWYNYLVOO-ZIAGYGMSSA-N 0 3 355.460 2.397 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000583766007 672124296 /nfs/dbraw/zinc/12/42/96/672124296.db2.gz OKHJKAOGYZEVBQ-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610906173 676004904 /nfs/dbraw/zinc/00/49/04/676004904.db2.gz QQIKGRKRNYPBAE-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000590776510 672616555 /nfs/dbraw/zinc/61/65/55/672616555.db2.gz FGHXIBGLBIJTLL-RNCFNFMXSA-N 0 3 354.204 2.133 20 5 FEBDHN CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000591925681 672722213 /nfs/dbraw/zinc/72/22/13/672722213.db2.gz WPVPPWNIXFMDEX-AWEZNQCLSA-N 0 3 350.419 2.229 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccccc3Cl)CCC2)c1 ZINC000593042702 672866951 /nfs/dbraw/zinc/86/69/51/672866951.db2.gz SNDHXCKMDJZHSQ-ZDUSSCGKSA-N 0 3 350.806 2.475 20 5 FEBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749830 673128415 /nfs/dbraw/zinc/12/84/15/673128415.db2.gz AWBWYHRCZMMSEG-HZSPNIEDSA-N 0 3 368.459 2.016 20 5 FEBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749831 673128604 /nfs/dbraw/zinc/12/86/04/673128604.db2.gz AWBWYHRCZMMSEG-MCIONIFRSA-N 0 3 368.459 2.016 20 5 FEBDHN CC(C)(C)[N@@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789656 673143072 /nfs/dbraw/zinc/14/30/72/673143072.db2.gz JLZWHIJASOWPEY-LLVKDONJSA-N 0 3 359.423 2.133 20 5 FEBDHN CC(C)(C)[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789656 673143074 /nfs/dbraw/zinc/14/30/74/673143074.db2.gz JLZWHIJASOWPEY-LLVKDONJSA-N 0 3 359.423 2.133 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000595467306 673254516 /nfs/dbraw/zinc/25/45/16/673254516.db2.gz JYTGLDHMFRCCNV-AWEZNQCLSA-N 0 3 350.419 2.275 20 5 FEBDHN Cc1c(CN)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000595959270 673343812 /nfs/dbraw/zinc/34/38/12/673343812.db2.gz MCNQWFGYCBUGHF-UHFFFAOYSA-N 0 3 367.793 2.156 20 5 FEBDHN Cc1c(CN)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000595958543 673343901 /nfs/dbraw/zinc/34/39/01/673343901.db2.gz DAQITSMZYIRULO-UHFFFAOYSA-N 0 3 369.834 2.480 20 5 FEBDHN O=[N+]([O-])c1cncc(Cl)c1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000596147942 673363006 /nfs/dbraw/zinc/36/30/06/673363006.db2.gz YLEVTMMCEMZVRY-KRWDZBQOSA-N 0 3 362.817 2.114 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603476 673588599 /nfs/dbraw/zinc/58/85/99/673588599.db2.gz UKSUBNUXVSBKJD-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c(C)c1[N+](=O)[O-] ZINC000598618539 673591374 /nfs/dbraw/zinc/59/13/74/673591374.db2.gz JCEQVFNCAWLWAJ-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2c(Cl)oc3ccccc32)c1 ZINC000600755223 673796528 /nfs/dbraw/zinc/79/65/28/673796528.db2.gz FVPIRZHSMHFKTG-LLVKDONJSA-N 0 3 350.762 2.342 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])s1 ZINC000601372458 673850481 /nfs/dbraw/zinc/85/04/81/673850481.db2.gz YTWQAANKXQWOMY-NEPJUHHUSA-N 0 3 359.473 2.070 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601375974 673851132 /nfs/dbraw/zinc/85/11/32/673851132.db2.gz WEOBXTMTSCFJTM-UHFFFAOYSA-N 0 3 361.489 2.363 20 5 FEBDHN CN(C)S(=O)(=O)c1ccccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602511356 673907014 /nfs/dbraw/zinc/90/70/14/673907014.db2.gz OSJUXMRDGBWACN-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@@H](CO)[C@H]2CCOC2)cc1Br ZINC000602646497 673909218 /nfs/dbraw/zinc/90/92/18/673909218.db2.gz ZZBQFYPSRBHAKX-IUCAKERBSA-N 0 3 365.249 2.153 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C\CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224355 675271243 /nfs/dbraw/zinc/27/12/43/675271243.db2.gz CJXHBWVGAWEEJH-FOSCPCJNSA-N 0 3 351.403 2.299 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567771250 675320736 /nfs/dbraw/zinc/32/07/36/675320736.db2.gz WQIQEKIKZFHWQD-SWLSCSKDSA-N 0 3 355.460 2.118 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000567782854 675322150 /nfs/dbraw/zinc/32/21/50/675322150.db2.gz DPFLUDBGSXRFSK-HOCLYGCPSA-N 0 3 367.471 2.262 20 5 FEBDHN CN(C)CCN(Cc1cccs1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826954478 675718553 /nfs/dbraw/zinc/71/85/53/675718553.db2.gz SGOXSXCNTWMWHW-MRXNPFEDSA-N 0 3 363.439 2.280 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000762358556 680748097 /nfs/dbraw/zinc/74/80/97/680748097.db2.gz LVQJWSHXSPIHKL-UONOGXRCSA-N 0 3 372.878 2.164 20 5 FEBDHN Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000831594396 680009039 /nfs/dbraw/zinc/00/90/39/680009039.db2.gz UIQCKIFNXAKUMS-CYBMUJFWSA-N 0 3 350.375 2.190 20 5 FEBDHN CS[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000935112652 681690378 /nfs/dbraw/zinc/69/03/78/681690378.db2.gz GDTCOQDAGIWRAE-GJZGRUSLSA-N 0 3 355.435 2.171 20 5 FEBDHN C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000913943916 685489710 /nfs/dbraw/zinc/48/97/10/685489710.db2.gz ZXVDTGKNLSDXAL-BBRMVZONSA-N 0 3 353.444 2.061 20 5 FEBDHN O=[N+]([O-])c1ccc(NC(=S)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000853029547 682365961 /nfs/dbraw/zinc/36/59/61/682365961.db2.gz LUEQJEVXVNGIBF-HNNXBMFYSA-N 0 3 350.444 2.135 20 5 FEBDHN CCN1CCN(CCNc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000853151115 682383565 /nfs/dbraw/zinc/38/35/65/682383565.db2.gz MHZXDOYQNZKDEB-UHFFFAOYSA-N 0 3 370.837 2.084 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000790265620 682663459 /nfs/dbraw/zinc/66/34/59/682663459.db2.gz NNFBRECQIDGEBD-CMPLNLGQSA-N 0 3 369.805 2.310 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000790584776 682686489 /nfs/dbraw/zinc/68/64/89/682686489.db2.gz WLQXRBDQDHPEEE-HNNXBMFYSA-N 0 3 353.394 2.349 20 5 FEBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823665 683480196 /nfs/dbraw/zinc/48/01/96/683480196.db2.gz AFYPYLFMZOHZRC-TZMCWYRMSA-N 0 3 353.806 2.183 20 5 FEBDHN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000866068810 684068467 /nfs/dbraw/zinc/06/84/67/684068467.db2.gz ZOWWRWBIXBWGOI-LBPRGKRZSA-N 0 3 370.247 2.452 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1F ZINC000867155852 684218479 /nfs/dbraw/zinc/21/84/79/684218479.db2.gz HBXJZQUUIMLGOG-UHFFFAOYSA-N 0 3 359.423 2.147 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931990584 684384329 /nfs/dbraw/zinc/38/43/29/684384329.db2.gz RNOQTBAONSBBBA-CYBMUJFWSA-N 0 3 353.444 2.157 20 5 FEBDHN CC1(N2CCC2)CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000882768448 687479955 /nfs/dbraw/zinc/47/99/55/687479955.db2.gz FFBOAGHZWNZTOD-UHFFFAOYSA-N 0 3 367.471 2.027 20 5 FEBDHN COc1cc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000883002920 687544498 /nfs/dbraw/zinc/54/44/98/687544498.db2.gz SMROFOLDLUUULX-LLVKDONJSA-N 0 3 364.320 2.405 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(S(=O)(=O)N(C)C)CC1 ZINC000886321193 688231079 /nfs/dbraw/zinc/23/10/79/688231079.db2.gz WHCHIKUEWCUTDT-LCYFTJDESA-N 0 3 353.444 2.012 20 5 FEBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000899736998 690416483 /nfs/dbraw/zinc/41/64/83/690416483.db2.gz WARYYXCUYLDADJ-UHFFFAOYSA-N 0 3 367.471 2.283 20 5 FEBDHN COc1cc([C@H](C)NC[C@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140995 690850763 /nfs/dbraw/zinc/85/07/63/690850763.db2.gz JNRHBJQJPAKMKI-LRDDRELGSA-N 0 3 352.387 2.176 20 5 FEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154085 690857177 /nfs/dbraw/zinc/85/71/77/690857177.db2.gz WXSHTNCHCYVJOG-JCURWCKSSA-N 0 3 354.403 2.075 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906572608 691285603 /nfs/dbraw/zinc/28/56/03/691285603.db2.gz JYBFTPNQKSIYGB-OAHLLOKOSA-N 0 3 369.849 2.408 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000027118283 539800878 /nfs/dbraw/zinc/80/08/78/539800878.db2.gz XYJJHXGNMXHIKT-UHFFFAOYSA-N 0 3 362.430 2.102 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000055281237 540642616 /nfs/dbraw/zinc/64/26/16/540642616.db2.gz CJZQFTZWUBTVMC-CYBMUJFWSA-N 0 3 371.459 2.004 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000055281217 540642649 /nfs/dbraw/zinc/64/26/49/540642649.db2.gz BLFZTLJPUNLNMM-ZDUSSCGKSA-N 0 3 355.460 2.304 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000055298105 540645170 /nfs/dbraw/zinc/64/51/70/540645170.db2.gz QMPPCOPFHDWHHB-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1CN(C)C ZINC000055986497 540692517 /nfs/dbraw/zinc/69/25/17/540692517.db2.gz GZIIOUXARMEDJY-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000056891157 540753794 /nfs/dbraw/zinc/75/37/94/540753794.db2.gz OXAXOBSODPBCFE-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000060470609 541112788 /nfs/dbraw/zinc/11/27/88/541112788.db2.gz ZGHAHPYHRIGYGG-JQWIXIFHSA-N 0 3 353.806 2.368 20 5 FEBDHN CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000065777097 541260912 /nfs/dbraw/zinc/26/09/12/541260912.db2.gz MMPQQXPRSANIPP-UHFFFAOYSA-N 0 3 371.441 2.135 20 5 FEBDHN CN(CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000066924047 541394730 /nfs/dbraw/zinc/39/47/30/541394730.db2.gz YWSSUCFKZUCGOF-UHFFFAOYSA-N 0 3 361.320 2.360 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000068084483 541545819 /nfs/dbraw/zinc/54/58/19/541545819.db2.gz CXNFDUNTVYWELB-OLZOCXBDSA-N 0 3 365.430 2.462 20 5 FEBDHN C[C@@H](NC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000068386523 541585889 /nfs/dbraw/zinc/58/58/89/541585889.db2.gz YCBLAQQANXASBC-CQSZACIVSA-N 0 3 372.425 2.002 20 5 FEBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000069406647 541684308 /nfs/dbraw/zinc/68/43/08/541684308.db2.gz XPPMSOBUBMGULB-CABCVRRESA-N 0 3 364.446 2.393 20 5 FEBDHN CNC(=O)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665161 541847209 /nfs/dbraw/zinc/84/72/09/541847209.db2.gz OYRPHRKGMAEZNN-OAHLLOKOSA-N 0 3 355.398 2.036 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075657778 542196047 /nfs/dbraw/zinc/19/60/47/542196047.db2.gz KDXKVWUPGFLPGB-UHFFFAOYSA-N 0 3 355.460 2.229 20 5 FEBDHN C[C@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000075749169 542202271 /nfs/dbraw/zinc/20/22/71/542202271.db2.gz AIUQNMWDVLXJOP-COXVUDFISA-N 0 3 362.455 2.331 20 5 FEBDHN CN(C)c1cccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075839073 542207408 /nfs/dbraw/zinc/20/74/08/542207408.db2.gz QJFKVISUWFYELI-ZWKOTPCHSA-N 0 3 359.430 2.055 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247419503 549331396 /nfs/dbraw/zinc/33/13/96/549331396.db2.gz KDDJIMQZJFBVFS-ZIAGYGMSSA-N 0 3 353.444 2.008 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCOCC1CC1 ZINC000088601397 542754721 /nfs/dbraw/zinc/75/47/21/542754721.db2.gz CMJGSYMHINBOHS-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000102410354 543069346 /nfs/dbraw/zinc/06/93/46/543069346.db2.gz DULGROOUKHETRG-AWEZNQCLSA-N 0 3 373.413 2.466 20 5 FEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCN1c1cccnn1 ZINC000106086128 543193175 /nfs/dbraw/zinc/19/31/75/543193175.db2.gz JURANBVKTGJCKV-OAHLLOKOSA-N 0 3 357.414 2.364 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891932 543252817 /nfs/dbraw/zinc/25/28/17/543252817.db2.gz CUCHOAJESUUAKE-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107873953 543280292 /nfs/dbraw/zinc/28/02/92/543280292.db2.gz SAILJAQHDBGXBC-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000110356275 543356028 /nfs/dbraw/zinc/35/60/28/543356028.db2.gz CRPBTSYYZWSCDK-AWEZNQCLSA-N 0 3 359.430 2.163 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C2OCCO2)CC1 ZINC000110455404 543358165 /nfs/dbraw/zinc/35/81/65/543358165.db2.gz BFPKCPHYABODJH-UHFFFAOYSA-N 0 3 363.414 2.317 20 5 FEBDHN C[C@@H]1CN2CCC[C@@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000113248534 543479187 /nfs/dbraw/zinc/47/91/87/543479187.db2.gz NNPMWHKZCYEKEP-UKRRQHHQSA-N 0 3 369.425 2.232 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000117336090 543629331 /nfs/dbraw/zinc/62/93/31/543629331.db2.gz VYRZPCMSBKHXQI-CYBMUJFWSA-N 0 3 371.397 2.496 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000123010012 543737073 /nfs/dbraw/zinc/73/70/73/543737073.db2.gz QJTFQZHWLNCSDU-UHFFFAOYSA-N 0 3 354.413 2.005 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000124555489 543828928 /nfs/dbraw/zinc/82/89/28/543828928.db2.gz DIVCPKPYUCCILT-ZYHUDNBSSA-N 0 3 361.489 2.316 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000124555300 543828887 /nfs/dbraw/zinc/82/88/87/543828887.db2.gz DIVCPKPYUCCILT-PWSUYJOCSA-N 0 3 361.489 2.316 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124703350 543837683 /nfs/dbraw/zinc/83/76/83/543837683.db2.gz ZNRFJFZCTLCFQF-TZMCWYRMSA-N 0 3 372.429 2.039 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN(c4ccncc4)CC3)n2)cc1 ZINC000125234114 543869791 /nfs/dbraw/zinc/86/97/91/543869791.db2.gz FGQGNNUQMDOSBN-UHFFFAOYSA-N 0 3 366.381 2.362 20 5 FEBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125456467 543882419 /nfs/dbraw/zinc/88/24/19/543882419.db2.gz GFKNPQFTOAMHAE-MRXNPFEDSA-N 0 3 371.441 2.313 20 5 FEBDHN Cc1ccc(CN(CCN(C)C)C(=O)CNc2ccccc2[N+](=O)[O-])o1 ZINC000126049267 543915402 /nfs/dbraw/zinc/91/54/02/543915402.db2.gz YXZZSAKHXHMYDD-UHFFFAOYSA-N 0 3 360.414 2.499 20 5 FEBDHN CCOCCO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129348578 544106658 /nfs/dbraw/zinc/10/66/58/544106658.db2.gz APDDBKLNFGVCGX-AWEZNQCLSA-N 0 3 369.393 2.190 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134596301 544314070 /nfs/dbraw/zinc/31/40/70/544314070.db2.gz OIQCZCUNODIIOV-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000135546377 544352152 /nfs/dbraw/zinc/35/21/52/544352152.db2.gz MUTINTPVOPPCAI-OAHLLOKOSA-N 0 3 359.382 2.075 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000139407845 544402274 /nfs/dbraw/zinc/40/22/74/544402274.db2.gz GHFIFZVBJOCQPL-UHFFFAOYSA-N 0 3 355.460 2.231 20 5 FEBDHN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000150876594 544481914 /nfs/dbraw/zinc/48/19/14/544481914.db2.gz DJZMFJKRPYZLMY-UKRRQHHQSA-N 0 3 356.430 2.456 20 5 FEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151677876 544568641 /nfs/dbraw/zinc/56/86/41/544568641.db2.gz FJGGPUPWWBOCPC-UHFFFAOYSA-N 0 3 374.445 2.085 20 5 FEBDHN C[C@@H](NC(C)(C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152322338 544638581 /nfs/dbraw/zinc/63/85/81/544638581.db2.gz PVGKGGTZPYHNEI-CQSZACIVSA-N 0 3 374.445 2.220 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152875624 544706206 /nfs/dbraw/zinc/70/62/06/544706206.db2.gz RPDLCFHFOMIBDF-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903883 544709519 /nfs/dbraw/zinc/70/95/19/544709519.db2.gz YPTQNGSLKUDREL-IAGOWNOFSA-N 0 3 350.415 2.226 20 5 FEBDHN CCO[C@H]1C[C@H](O)C12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903803 544709812 /nfs/dbraw/zinc/70/98/12/544709812.db2.gz YPTQNGSLKUDREL-IRXDYDNUSA-N 0 3 350.415 2.226 20 5 FEBDHN CCCN(CCN1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000553487424 674265463 /nfs/dbraw/zinc/26/54/63/674265463.db2.gz UVQMGVAHAXPMGJ-UHFFFAOYSA-N 0 3 351.451 2.251 20 5 FEBDHN C[C@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007829 327756454 /nfs/dbraw/zinc/75/64/54/327756454.db2.gz LVJZGGLSTAEOEJ-SWLSCSKDSA-N 0 3 362.430 2.336 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188053061 328062647 /nfs/dbraw/zinc/06/26/47/328062647.db2.gz BYAQZUVORBGGBW-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000189399427 328145485 /nfs/dbraw/zinc/14/54/85/328145485.db2.gz ZGGNLMZNGFWUGG-INIZCTEOSA-N 0 3 360.414 2.010 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190031006 328183692 /nfs/dbraw/zinc/18/36/92/328183692.db2.gz MGTIEWOICBOROB-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191966610 328290753 /nfs/dbraw/zinc/29/07/53/328290753.db2.gz HBGTUTHAWAOJTQ-UHOSZYNNSA-N 0 3 358.394 2.454 20 5 FEBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079677977 325101384 /nfs/dbraw/zinc/10/13/84/325101384.db2.gz VCBOPRKNICTCST-KRWDZBQOSA-N 0 3 370.453 2.320 20 5 FEBDHN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598817 325187220 /nfs/dbraw/zinc/18/72/20/325187220.db2.gz UBCJNIZAXKFXQY-KRWDZBQOSA-N 0 3 363.458 2.285 20 5 FEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCOCC2)CC1 ZINC000087314896 325279496 /nfs/dbraw/zinc/27/94/96/325279496.db2.gz RBUNOUFFBRHXSJ-UHFFFAOYSA-N 0 3 361.442 2.098 20 5 FEBDHN CCC(CC)(CNCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000120690962 326279345 /nfs/dbraw/zinc/27/93/45/326279345.db2.gz KDVLMBGNBYJSEQ-UHFFFAOYSA-N 0 3 351.403 2.411 20 5 FEBDHN O=C(CN[C@H]1CCCC[C@@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128859977 326530916 /nfs/dbraw/zinc/53/09/16/326530916.db2.gz WQKMKSYSSHLZCO-WMZOPIPTSA-N 0 3 369.425 2.454 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000129253318 326537237 /nfs/dbraw/zinc/53/72/37/326537237.db2.gz RYUHYCUISBUESJ-MRXNPFEDSA-N 0 3 357.414 2.053 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000129870409 326547594 /nfs/dbraw/zinc/54/75/94/326547594.db2.gz PGEHCDXSVWVNOQ-KRWDZBQOSA-N 0 3 371.441 2.271 20 5 FEBDHN COc1cc(CN[C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833448 326564101 /nfs/dbraw/zinc/56/41/01/326564101.db2.gz URFCIHIFEJOWQN-QWRGUYRKSA-N 0 3 373.356 2.339 20 5 FEBDHN Cn1cc(CN2CCC(CC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000159725090 326940248 /nfs/dbraw/zinc/94/02/48/326940248.db2.gz IQUHXPVGTVXGCS-UHFFFAOYSA-N 0 3 357.414 2.083 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162101466 327017083 /nfs/dbraw/zinc/01/70/83/327017083.db2.gz ZMCAFAIRXGFURD-NSHDSACASA-N 0 3 355.441 2.285 20 5 FEBDHN CC[C@@H](NCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000164297681 327068181 /nfs/dbraw/zinc/06/81/81/327068181.db2.gz HLEIROUPTIEHBH-GOSISDBHSA-N 0 3 370.457 2.248 20 5 FEBDHN CCN1CCN([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237941 327188775 /nfs/dbraw/zinc/18/87/75/327188775.db2.gz DFHYBUMFEPIALA-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCCN(C2CC2)CC1 ZINC000172348168 327197177 /nfs/dbraw/zinc/19/71/77/327197177.db2.gz KCHHMPCDVGGLHT-CYBMUJFWSA-N 0 3 362.430 2.101 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173263985 327245119 /nfs/dbraw/zinc/24/51/19/327245119.db2.gz COMNPTHEIYKAHK-HIFRSBDPSA-N 0 3 355.460 2.254 20 5 FEBDHN C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343834 327250969 /nfs/dbraw/zinc/25/09/69/327250969.db2.gz LTUXUJNIZPUQBF-YOEHRIQHSA-N 0 3 351.472 2.453 20 5 FEBDHN COc1ccccc1CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173619751 327271409 /nfs/dbraw/zinc/27/14/09/327271409.db2.gz JPPPBZCTYIRYHA-GOSISDBHSA-N 0 3 374.441 2.116 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000174657756 327341644 /nfs/dbraw/zinc/34/16/44/327341644.db2.gz ZISXCSPVYXMFPJ-HNNXBMFYSA-N 0 3 371.397 2.173 20 5 FEBDHN CNC(=O)CC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000175032188 327369415 /nfs/dbraw/zinc/36/94/15/327369415.db2.gz DWTFQJKLTDMMTJ-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077938 327372662 /nfs/dbraw/zinc/37/26/62/327372662.db2.gz FXCJTSIDHXRGGT-NEPJUHHUSA-N 0 3 361.851 2.399 20 5 FEBDHN COc1cc(CCNC(=O)[C@H](CN)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178348535 327579660 /nfs/dbraw/zinc/57/96/60/327579660.db2.gz WKNAMRNJUCRBFN-OAHLLOKOSA-N 0 3 373.409 2.013 20 5 FEBDHN COCCCN1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000263906901 328973969 /nfs/dbraw/zinc/97/39/69/328973969.db2.gz ZYDWNXRLMYWHHH-UHFFFAOYSA-N 0 3 360.414 2.307 20 5 FEBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982738 329179050 /nfs/dbraw/zinc/17/90/50/329179050.db2.gz MRYRCTGXWGYRQT-SJORKVTESA-N 0 3 350.415 2.226 20 5 FEBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982736 329179181 /nfs/dbraw/zinc/17/91/81/329179181.db2.gz MRYRCTGXWGYRQT-IAGOWNOFSA-N 0 3 350.415 2.226 20 5 FEBDHN CCN(CC)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266207073 329200684 /nfs/dbraw/zinc/20/06/84/329200684.db2.gz LLBZIFDJWSQSQM-ZDUSSCGKSA-N 0 3 355.460 2.166 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267479894 329331674 /nfs/dbraw/zinc/33/16/74/329331674.db2.gz UYFCITZMXVVAKW-XJKSGUPXSA-N 0 3 371.441 2.277 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178569 329393876 /nfs/dbraw/zinc/39/38/76/329393876.db2.gz KYGINXLRIXOSDC-CJNGLKHVSA-N 0 3 358.442 2.408 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCNCC3)cn2)c1 ZINC000269177903 329493672 /nfs/dbraw/zinc/49/36/72/329493672.db2.gz YYNNGPCSGHHQBG-UHFFFAOYSA-N 0 3 373.438 2.374 20 5 FEBDHN O=C1NC(=O)C2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)N1 ZINC000272888808 329821294 /nfs/dbraw/zinc/82/12/94/329821294.db2.gz YXZINKGIQLWRLI-UHFFFAOYSA-N 0 3 370.365 2.029 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000275107434 330011076 /nfs/dbraw/zinc/01/10/76/330011076.db2.gz KVMSXSMBJBKPLT-ZBFHGGJFSA-N 0 3 365.455 2.255 20 5 FEBDHN CS[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275116847 330012223 /nfs/dbraw/zinc/01/22/23/330012223.db2.gz MJGUIPSDMXJXAB-GDBMZVCRSA-N 0 3 365.455 2.012 20 5 FEBDHN COCCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275603650 330069010 /nfs/dbraw/zinc/06/90/10/330069010.db2.gz LHKYSHQNIBRQQL-UHFFFAOYSA-N 0 3 357.382 2.047 20 5 FEBDHN C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000367059168 330212287 /nfs/dbraw/zinc/21/22/87/330212287.db2.gz CCVGQOKRQJLMJV-BLLLJJGKSA-N 0 3 354.401 2.335 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(Cc2ccccc2F)CC1 ZINC000367137208 330221621 /nfs/dbraw/zinc/22/16/21/330221621.db2.gz BTYYKPKPNKWHCY-UHFFFAOYSA-N 0 3 374.416 2.104 20 5 FEBDHN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN2CCC[C@@H]2C1 ZINC000159076240 545919715 /nfs/dbraw/zinc/91/97/15/545919715.db2.gz CMQLUCPHEDBDNL-SNVBAGLBSA-N 0 3 354.204 2.278 20 5 FEBDHN CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399902 561189069 /nfs/dbraw/zinc/18/90/69/561189069.db2.gz YCOPKDAZTDJVMX-CABCVRRESA-N 0 3 367.471 2.455 20 5 FEBDHN O=C(NC1CC1)c1ccc(CN(CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176203462 546419206 /nfs/dbraw/zinc/41/92/06/546419206.db2.gz XLZNFSFQPNCDMA-UHFFFAOYSA-N 0 3 369.425 2.348 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000176724707 546480984 /nfs/dbraw/zinc/48/09/84/546480984.db2.gz RYTUYUMTQLDJTR-CZUORRHYSA-N 0 3 371.441 2.420 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177032003 546527554 /nfs/dbraw/zinc/52/75/54/546527554.db2.gz OYHZJRNWPGENOF-RISCZKNCSA-N 0 3 361.398 2.127 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161220 546558087 /nfs/dbraw/zinc/55/80/87/546558087.db2.gz WEECYGFNDQZOPH-VXGBXAGGSA-N 0 3 363.414 2.357 20 5 FEBDHN O=C([C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000179891266 547024948 /nfs/dbraw/zinc/02/49/48/547024948.db2.gz XXJNNFASJFUPRX-ZNNBYXKUSA-N 0 3 359.426 2.179 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(NCC3CCN(c4ccncc4)CC3)nn21 ZINC000180045128 547043104 /nfs/dbraw/zinc/04/31/04/547043104.db2.gz JZZHOCXSKFWJBD-UHFFFAOYSA-N 0 3 353.386 2.361 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000180177933 547064636 /nfs/dbraw/zinc/06/46/36/547064636.db2.gz WYIMCYLKOWKCMV-QFBILLFUSA-N 0 3 371.441 2.360 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000482848229 561261273 /nfs/dbraw/zinc/26/12/73/561261273.db2.gz FXHMDVVZGRDLTC-UHFFFAOYSA-N 0 3 363.414 2.377 20 5 FEBDHN O=C(CCN1CCC(O[C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000483018974 561265120 /nfs/dbraw/zinc/26/51/20/561265120.db2.gz LTUYKHYYEUMYRI-KRWDZBQOSA-N 0 3 363.414 2.193 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N(C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181094579 547248631 /nfs/dbraw/zinc/24/86/31/547248631.db2.gz SXQTXQKHMNTEEW-CYBMUJFWSA-N 0 3 361.402 2.149 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(CCOC)CC1 ZINC000184708997 547868921 /nfs/dbraw/zinc/86/89/21/547868921.db2.gz ZCPSWYQPILXYNC-INIZCTEOSA-N 0 3 363.458 2.391 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1CCOC ZINC000184759385 547876198 /nfs/dbraw/zinc/87/61/98/547876198.db2.gz OBYWVITUQOWQSG-FUHWJXTLSA-N 0 3 363.458 2.391 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000185227732 547954998 /nfs/dbraw/zinc/95/49/98/547954998.db2.gz PDWYXOYUEFJHDI-IUODEOHRSA-N 0 3 371.434 2.147 20 5 FEBDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000186681786 548173544 /nfs/dbraw/zinc/17/35/44/548173544.db2.gz LKSTUUPZWDXEDG-KRWDZBQOSA-N 0 3 351.403 2.491 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@H]2CCOC[C@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095800 561337983 /nfs/dbraw/zinc/33/79/83/561337983.db2.gz XTJSNQQBTPNNAO-DHSIGJKJSA-N 0 3 368.430 2.465 20 5 FEBDHN CN1CCN(CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000194495704 548490975 /nfs/dbraw/zinc/49/09/75/548490975.db2.gz GEAGRCOWLKQFCZ-UHFFFAOYSA-N 0 3 361.446 2.086 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000195447181 548640943 /nfs/dbraw/zinc/64/09/43/548640943.db2.gz NCSQERAPGAFFHW-UHFFFAOYSA-N 0 3 351.451 2.464 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000195447181 548640949 /nfs/dbraw/zinc/64/09/49/548640949.db2.gz NCSQERAPGAFFHW-UHFFFAOYSA-N 0 3 351.451 2.464 20 5 FEBDHN Cn1nccc1[C@H]1[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCC(=O)N1C ZINC000487032853 561361833 /nfs/dbraw/zinc/36/18/33/561361833.db2.gz WBRGQXUSDXWLIR-GDQHDYBHSA-N 0 3 369.425 2.293 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245992273 549032838 /nfs/dbraw/zinc/03/28/38/549032838.db2.gz QWPIXGVQNSCUTR-XJKSGUPXSA-N 0 3 362.430 2.229 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762134 561396319 /nfs/dbraw/zinc/39/63/19/561396319.db2.gz CKXLHXROVAJKHN-MQIPJXDCSA-N 0 3 357.414 2.410 20 5 FEBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000246719444 549195572 /nfs/dbraw/zinc/19/55/72/549195572.db2.gz KGVADHMQVPDBQZ-LSDHHAIUSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000246955115 549250098 /nfs/dbraw/zinc/25/00/98/549250098.db2.gz IHHBWEXPUPPJOC-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN CCc1nc2c(s1)[C@H](N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000248292272 549418917 /nfs/dbraw/zinc/41/89/17/549418917.db2.gz WVVFGPBTSMKMKC-TZMCWYRMSA-N 0 3 365.459 2.181 20 5 FEBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000248642001 549473832 /nfs/dbraw/zinc/47/38/32/549473832.db2.gz ZPVVXPPDAMAYKU-PVXIVEMSSA-N 0 3 351.403 2.478 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000489497628 561413007 /nfs/dbraw/zinc/41/30/07/561413007.db2.gz NFHQUTCFCMZTPH-DJSGYFEHSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249128500 549557260 /nfs/dbraw/zinc/55/72/60/549557260.db2.gz CSDYSGUWPSCBDQ-JSGCOSHPSA-N 0 3 362.430 2.091 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249431394 549591838 /nfs/dbraw/zinc/59/18/38/549591838.db2.gz ITIWKHBXDDKQGP-ZIAGYGMSSA-N 0 3 355.460 2.172 20 5 FEBDHN CN(CC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000262390855 549816070 /nfs/dbraw/zinc/81/60/70/549816070.db2.gz OETZTYPNEAMYGT-MRXNPFEDSA-N 0 3 354.410 2.034 20 5 FEBDHN CCN(CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000263665286 549916078 /nfs/dbraw/zinc/91/60/78/549916078.db2.gz BRAUBRRKGALRAY-UHFFFAOYSA-N 0 3 360.458 2.412 20 5 FEBDHN C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858123 550124262 /nfs/dbraw/zinc/12/42/62/550124262.db2.gz RIZMMIAWXHBUIF-DOMZBBRYSA-N 0 3 360.366 2.414 20 5 FEBDHN COc1cc(OCC(=O)Nc2ccc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000269182199 550164642 /nfs/dbraw/zinc/16/46/42/550164642.db2.gz DUFTWEDPKGNHLP-UHFFFAOYSA-N 0 3 357.366 2.267 20 5 FEBDHN CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000270512452 550279026 /nfs/dbraw/zinc/27/90/26/550279026.db2.gz XINUUCNOZUXFAV-UHFFFAOYSA-N 0 3 374.445 2.126 20 5 FEBDHN COCCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000271613537 550389587 /nfs/dbraw/zinc/38/95/87/550389587.db2.gz VRMZGGWXURQRLX-UHFFFAOYSA-N 0 3 353.419 2.217 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328722 550438164 /nfs/dbraw/zinc/43/81/64/550438164.db2.gz LAHOKGBJXDGEJT-MFKMUULPSA-N 0 3 361.427 2.156 20 5 FEBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000276913817 550610592 /nfs/dbraw/zinc/61/05/92/550610592.db2.gz JQFXHRYYXHAKKF-UHFFFAOYSA-N 0 3 361.489 2.339 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc([N+](=O)[O-])c1C ZINC000276921325 550611392 /nfs/dbraw/zinc/61/13/92/550611392.db2.gz YUALKWSHLXZRNA-HIFRSBDPSA-N 0 3 353.444 2.029 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000277445487 550671614 /nfs/dbraw/zinc/67/16/14/550671614.db2.gz HBKHWRLFMNNOSN-CYBMUJFWSA-N 0 3 360.414 2.307 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN(C2CCCC2)CC1 ZINC000278774756 550820289 /nfs/dbraw/zinc/82/02/89/550820289.db2.gz VBHUATYCABUJPD-UHFFFAOYSA-N 0 3 372.429 2.241 20 5 FEBDHN CCn1nccc1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000278934642 550837939 /nfs/dbraw/zinc/83/79/39/550837939.db2.gz TUODAOUXJAJNCK-INIZCTEOSA-N 0 3 374.441 2.431 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279187474 550863104 /nfs/dbraw/zinc/86/31/04/550863104.db2.gz KXJUBSXGAIYNFG-OLZOCXBDSA-N 0 3 364.421 2.499 20 5 FEBDHN C[C@H](CN1CCOCC1)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000279388385 550884734 /nfs/dbraw/zinc/88/47/34/550884734.db2.gz KAIJFBAPNLFVMV-OAHLLOKOSA-N 0 3 373.457 2.148 20 5 FEBDHN CN1CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000281586463 551116893 /nfs/dbraw/zinc/11/68/93/551116893.db2.gz GMTCYUIUANYVPT-UHFFFAOYSA-N 0 3 372.267 2.190 20 5 FEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(OCCO)CCOCC1)CCC2 ZINC000282724390 551263825 /nfs/dbraw/zinc/26/38/25/551263825.db2.gz MESDNQAOQDIYAP-KRWDZBQOSA-N 0 3 350.415 2.120 20 5 FEBDHN O=C(COc1ccccc1)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000283049323 551303345 /nfs/dbraw/zinc/30/33/45/551303345.db2.gz SBEGVMDPUWLMDX-INIZCTEOSA-N 0 3 355.394 2.364 20 5 FEBDHN NC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000284048371 551474399 /nfs/dbraw/zinc/47/43/99/551474399.db2.gz JKDBXSGNHPEMMS-AWEZNQCLSA-N 0 3 350.375 2.417 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000284100084 551483537 /nfs/dbraw/zinc/48/35/37/551483537.db2.gz SFYOCKVSJMMPHN-JTQLQIEISA-N 0 3 356.220 2.347 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284152751 551493387 /nfs/dbraw/zinc/49/33/87/551493387.db2.gz VYQLIXNWQSZHOJ-GFCCVEGCSA-N 0 3 369.853 2.396 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922232 561537938 /nfs/dbraw/zinc/53/79/38/561537938.db2.gz BFMNSIFFGZZSSZ-KGLIPLIRSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000285759662 551806688 /nfs/dbraw/zinc/80/66/88/551806688.db2.gz ZJFPMLLLHKZVLM-KBPBESRZSA-N 0 3 362.430 2.101 20 5 FEBDHN Cc1n[nH]c(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000285776919 551809134 /nfs/dbraw/zinc/80/91/34/551809134.db2.gz SMZUTABSRDQLGW-UHFFFAOYSA-N 0 3 373.413 2.029 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286878434 551935792 /nfs/dbraw/zinc/93/57/92/551935792.db2.gz ZDQWZEZACGBUGT-ZFWWWQNUSA-N 0 3 353.444 2.151 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288530962 552170209 /nfs/dbraw/zinc/17/02/09/552170209.db2.gz UPGGAHBGTYRWCP-GOSISDBHSA-N 0 3 355.398 2.056 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288530962 552170211 /nfs/dbraw/zinc/17/02/11/552170211.db2.gz UPGGAHBGTYRWCP-GOSISDBHSA-N 0 3 355.398 2.056 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288921082 552236804 /nfs/dbraw/zinc/23/68/04/552236804.db2.gz VTFKVICBOUPXGU-ZDUSSCGKSA-N 0 3 350.419 2.078 20 5 FEBDHN CC[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289483184 552328384 /nfs/dbraw/zinc/32/83/84/552328384.db2.gz KFTHTRHMSOAMGR-SNVBAGLBSA-N 0 3 350.156 2.060 20 5 FEBDHN CN(C)C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000500793477 561582632 /nfs/dbraw/zinc/58/26/32/561582632.db2.gz OKWRGGCKLURMHT-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291777469 552660734 /nfs/dbraw/zinc/66/07/34/552660734.db2.gz MBIXJPBINLQQSI-GFCCVEGCSA-N 0 3 357.357 2.181 20 5 FEBDHN CC(C)[C@@]1(CO)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162433 552794720 /nfs/dbraw/zinc/79/47/20/552794720.db2.gz UYEWGBAHZIGBHM-AEFFLSMTSA-N 0 3 352.431 2.065 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293668280 552845385 /nfs/dbraw/zinc/84/53/85/552845385.db2.gz KCGYGENWZOJKHY-LBPRGKRZSA-N 0 3 362.386 2.449 20 5 FEBDHN CC(C)(CCC(=O)NCc1ccccc1CN1CCC(O)CC1)[N+](=O)[O-] ZINC000295082018 552956894 /nfs/dbraw/zinc/95/68/94/552956894.db2.gz VUDXHHLKOXXVHZ-UHFFFAOYSA-N 0 3 363.458 2.095 20 5 FEBDHN CCO[C@H](CCN(C)C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295149342 552963714 /nfs/dbraw/zinc/96/37/14/552963714.db2.gz PLGRSQOYIMSTDU-MRXNPFEDSA-N 0 3 365.430 2.031 20 5 FEBDHN COc1ccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000296965109 553236278 /nfs/dbraw/zinc/23/62/78/553236278.db2.gz BIYYZTBEUPDUKX-GOSISDBHSA-N 0 3 362.430 2.231 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000298163493 553392854 /nfs/dbraw/zinc/39/28/54/553392854.db2.gz SSQWAIDLRZEGHD-UHFFFAOYSA-N 0 3 371.459 2.097 20 5 FEBDHN C[C@H](NCCC(=O)Nc1sccc1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000298536981 553437125 /nfs/dbraw/zinc/43/71/25/553437125.db2.gz XARXXDSFKVCZMW-JTQLQIEISA-N 0 3 362.411 2.435 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503521753 561643618 /nfs/dbraw/zinc/64/36/18/561643618.db2.gz GVFPDLNOLGPRAG-DGCLKSJQSA-N 0 3 359.329 2.292 20 5 FEBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299347933 553551468 /nfs/dbraw/zinc/55/14/68/553551468.db2.gz QRRMDAOZWJWVAP-UHFFFAOYSA-N 0 3 356.810 2.035 20 5 FEBDHN CCc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])nc2C)N(C)C)cc1 ZINC000299411244 553559918 /nfs/dbraw/zinc/55/99/18/553559918.db2.gz QSNUVQZTDQLKSC-MRXNPFEDSA-N 0 3 359.430 2.081 20 5 FEBDHN Cc1ccnc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302492217 553718307 /nfs/dbraw/zinc/71/83/07/553718307.db2.gz ZNAPZYKAVLSYSP-LJQANCHMSA-N 0 3 356.426 2.371 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000331378953 554254228 /nfs/dbraw/zinc/25/42/28/554254228.db2.gz AEIXCAFYPHMATI-AWEZNQCLSA-N 0 3 353.444 2.152 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1N1CCCC1 ZINC000331922147 554346752 /nfs/dbraw/zinc/34/67/52/554346752.db2.gz JSHWHWUUGDHTOD-IRXDYDNUSA-N 0 3 363.483 2.484 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000332079938 554375609 /nfs/dbraw/zinc/37/56/09/554375609.db2.gz IYFIMZXHJKFFAT-ZBFHGGJFSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1C ZINC000332099730 554380513 /nfs/dbraw/zinc/38/05/13/554380513.db2.gz YDKJFQYBODWYRA-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509808989 561814762 /nfs/dbraw/zinc/81/47/62/561814762.db2.gz PMIQZOITROBLHK-UHFFFAOYSA-N 0 3 362.430 2.258 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000511072644 561855823 /nfs/dbraw/zinc/85/58/23/561855823.db2.gz GNOHTCFSEZICLZ-HNNXBMFYSA-N 0 3 374.393 2.238 20 5 FEBDHN CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023438 554860265 /nfs/dbraw/zinc/86/02/65/554860265.db2.gz RORQPOSBLPDZBF-BZNIZROVSA-N 0 3 366.805 2.058 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000363657040 555156597 /nfs/dbraw/zinc/15/65/97/555156597.db2.gz TTZOLMSZIHEGQB-UHFFFAOYSA-N 0 3 357.414 2.391 20 5 FEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1=CCN(C)CC1 ZINC000512122109 561893145 /nfs/dbraw/zinc/89/31/45/561893145.db2.gz HIHLRKAVPUQLNU-GFCCVEGCSA-N 0 3 365.455 2.059 20 5 FEBDHN C[C@H]1OCC[C@]12CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929035 555216286 /nfs/dbraw/zinc/21/62/86/555216286.db2.gz UQUUNPNGGRAEJF-LBTNJELSSA-N 0 3 363.414 2.192 20 5 FEBDHN CCC(=O)N1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363937510 555218123 /nfs/dbraw/zinc/21/81/23/555218123.db2.gz KQUHWFJRUWPBSB-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c(N)c([N+](=O)[O-])c1 ZINC000364569594 555341364 /nfs/dbraw/zinc/34/13/64/555341364.db2.gz NMJGORFSFMWFBB-KSSFIOAISA-N 0 3 369.425 2.303 20 5 FEBDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364956019 555449333 /nfs/dbraw/zinc/44/93/33/555449333.db2.gz RHZGOLNCTGTHSV-NSHDSACASA-N 0 3 356.810 2.169 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1cccs1 ZINC000364965462 555452642 /nfs/dbraw/zinc/45/26/42/555452642.db2.gz UBDFUXHIWAKBKA-QMTHXVAHSA-N 0 3 361.427 2.056 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187251 555505617 /nfs/dbraw/zinc/50/56/17/555505617.db2.gz RGOINJBKBULRAH-NEPJUHHUSA-N 0 3 354.794 2.233 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000365483734 555587703 /nfs/dbraw/zinc/58/77/03/555587703.db2.gz NLILZBVUPUZCQK-AWEZNQCLSA-N 0 3 356.382 2.452 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCCC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000366828208 555945194 /nfs/dbraw/zinc/94/51/94/555945194.db2.gz XXCLYDAXZHHGQK-UHFFFAOYSA-N 0 3 367.471 2.400 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000367454127 556054427 /nfs/dbraw/zinc/05/44/27/556054427.db2.gz LXRQPQKLNFPLBX-KXPUMZMLSA-N 0 3 372.469 2.235 20 5 FEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000367934082 556176274 /nfs/dbraw/zinc/17/62/74/556176274.db2.gz FPGRCOULURNLFW-AWEZNQCLSA-N 0 3 360.458 2.402 20 5 FEBDHN CN(CCN(C)C1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515024300 561992324 /nfs/dbraw/zinc/99/23/24/561992324.db2.gz HXTYWPOYXCIYFI-UHFFFAOYSA-N 0 3 359.430 2.354 20 5 FEBDHN COc1ccc(CC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000515051481 561993969 /nfs/dbraw/zinc/99/39/69/561993969.db2.gz XHLRYWRKDDLXFM-CQSZACIVSA-N 0 3 361.442 2.479 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368592276 556356689 /nfs/dbraw/zinc/35/66/89/556356689.db2.gz QATIYLXMLZWSTO-KDOFPFPSSA-N 0 3 358.442 2.361 20 5 FEBDHN CCCC(=O)N1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368772594 556409613 /nfs/dbraw/zinc/40/96/13/556409613.db2.gz MZSIARGHZGCFHZ-UHFFFAOYSA-N 0 3 362.430 2.258 20 5 FEBDHN C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000515816623 562022724 /nfs/dbraw/zinc/02/27/24/562022724.db2.gz FLBLQLRNKOHPGR-OKILXGFUSA-N 0 3 372.425 2.462 20 5 FEBDHN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C[C@H](C)O1 ZINC000515816623 562022725 /nfs/dbraw/zinc/02/27/25/562022725.db2.gz FLBLQLRNKOHPGR-OKILXGFUSA-N 0 3 372.425 2.462 20 5 FEBDHN Cc1cccc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000369782272 556693131 /nfs/dbraw/zinc/69/31/31/556693131.db2.gz MFSHJRRKKVVZGM-QGZVFWFLSA-N 0 3 374.441 2.312 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2O1 ZINC000370278177 556828167 /nfs/dbraw/zinc/82/81/67/556828167.db2.gz CMWNMSUQKPKYKE-LLVKDONJSA-N 0 3 374.372 2.286 20 5 FEBDHN Cc1ccc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000370426150 556869506 /nfs/dbraw/zinc/86/95/06/556869506.db2.gz WBRXUJVSKAFNSU-KRWDZBQOSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502184 556892842 /nfs/dbraw/zinc/89/28/42/556892842.db2.gz AQWTWARFDFWZAO-INIZCTEOSA-N 0 3 371.393 2.329 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000370914499 557013858 /nfs/dbraw/zinc/01/38/58/557013858.db2.gz YIUVGBQFSYGXPR-VQIMIIECSA-N 0 3 371.441 2.224 20 5 FEBDHN O=C1CCc2cc([N+](=O)[O-])c(NC3CCN([C@H]4CCOC4)CC3)cc2N1 ZINC000371131056 557083726 /nfs/dbraw/zinc/08/37/26/557083726.db2.gz WMQCXRSCNLNKFI-AWEZNQCLSA-N 0 3 360.414 2.145 20 5 FEBDHN CC[C@@H](C)N[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612521 562093745 /nfs/dbraw/zinc/09/37/45/562093745.db2.gz KZZHVUYCRUMSAZ-TZMCWYRMSA-N 0 3 363.418 2.328 20 5 FEBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000372313762 557437265 /nfs/dbraw/zinc/43/72/65/557437265.db2.gz RVAIOAKWVQVNDY-WMLDXEAASA-N 0 3 361.446 2.085 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519147150 562125743 /nfs/dbraw/zinc/12/57/43/562125743.db2.gz CPEOXRGGUJSDHV-CYBMUJFWSA-N 0 3 355.822 2.431 20 5 FEBDHN CN1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372444166 557472179 /nfs/dbraw/zinc/47/21/79/557472179.db2.gz BZXRHOZWPSSGOF-LPHOPBHVSA-N 0 3 354.410 2.342 20 5 FEBDHN O=C1NC2(CCCCC2)C(=O)N1CCCNCc1ccccc1[N+](=O)[O-] ZINC000372563727 557506034 /nfs/dbraw/zinc/50/60/34/557506034.db2.gz NQNCOYUWNLWTBD-UHFFFAOYSA-N 0 3 360.414 2.329 20 5 FEBDHN CN(C)C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725228 557547910 /nfs/dbraw/zinc/54/79/10/557547910.db2.gz HCZGYPZUYVNUGG-WMZOPIPTSA-N 0 3 357.410 2.457 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000373182467 557645952 /nfs/dbraw/zinc/64/59/52/557645952.db2.gz JEEQXACBINHRAW-INIZCTEOSA-N 0 3 357.366 2.419 20 5 FEBDHN CCc1ccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000373225033 557653423 /nfs/dbraw/zinc/65/34/23/557653423.db2.gz BNNAAJTZOFOKQX-UHFFFAOYSA-N 0 3 357.414 2.873 20 5 FEBDHN CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281154 557664456 /nfs/dbraw/zinc/66/44/56/557664456.db2.gz ONQFPZHENBSXOJ-BZNIZROVSA-N 0 3 366.805 2.058 20 5 FEBDHN O=C([C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000373847463 557772300 /nfs/dbraw/zinc/77/23/00/557772300.db2.gz FHYVYYHDSYGDLY-OCCSQVGLSA-N 0 3 362.386 2.384 20 5 FEBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC[C@H]1C ZINC000520972475 562166727 /nfs/dbraw/zinc/16/67/27/562166727.db2.gz WBMNLXQEQCKGID-ZIAGYGMSSA-N 0 3 372.429 2.168 20 5 FEBDHN COc1cc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255141 557851748 /nfs/dbraw/zinc/85/17/48/557851748.db2.gz IOHZQPBPRKVNGC-CYBMUJFWSA-N 0 3 366.437 2.347 20 5 FEBDHN Cn1cc(CN[C@H]2CC(=O)N3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585474 557902520 /nfs/dbraw/zinc/90/25/20/557902520.db2.gz NIVSWUABFHNYPH-DLBZAZTESA-N 0 3 369.425 2.238 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC2(CCC2)C1 ZINC000375210614 557992601 /nfs/dbraw/zinc/99/26/01/557992601.db2.gz ZUQKOOCDDKAXSK-UHFFFAOYSA-N 0 3 363.414 2.435 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377541 558017825 /nfs/dbraw/zinc/01/78/25/558017825.db2.gz GGDOAQOMOLZQSR-GJZGRUSLSA-N 0 3 364.450 2.012 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000521428481 562176155 /nfs/dbraw/zinc/17/61/55/562176155.db2.gz YUFYXQJYAIDCPG-MAUKXSAKSA-N 0 3 352.394 2.336 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000377168194 558280837 /nfs/dbraw/zinc/28/08/37/558280837.db2.gz JTJCGVYESSRDBF-XYPHTWIQSA-N 0 3 374.441 2.350 20 5 FEBDHN Cc1c(NC(=O)CCN2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000377168179 558280960 /nfs/dbraw/zinc/28/09/60/558280960.db2.gz JPKCRNMXXGKTRW-XKQJLSEDSA-N 0 3 374.441 2.350 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCN(CCc2ccccn2)CC1 ZINC000522815286 562204223 /nfs/dbraw/zinc/20/42/23/562204223.db2.gz KHLSGYSCKDURJT-UHFFFAOYSA-N 0 3 371.441 2.107 20 5 FEBDHN Cc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000522852138 562204825 /nfs/dbraw/zinc/20/48/25/562204825.db2.gz HQQJJNXLUYFYRB-HNNXBMFYSA-N 0 3 350.419 2.478 20 5 FEBDHN CN1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000377995042 558459391 /nfs/dbraw/zinc/45/93/91/558459391.db2.gz UJSYLEKNJSDCQB-YOEHRIQHSA-N 0 3 355.398 2.194 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1 ZINC000408013823 558638253 /nfs/dbraw/zinc/63/82/53/558638253.db2.gz YDJPFNQYOCYOQM-UHFFFAOYSA-N 0 3 353.444 2.234 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316033 558666182 /nfs/dbraw/zinc/66/61/82/558666182.db2.gz NFEZEXZYUHASJN-STQMWFEESA-N 0 3 371.434 2.290 20 5 FEBDHN C[C@@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000524516150 562229847 /nfs/dbraw/zinc/22/98/47/562229847.db2.gz RXGQCCQYQRCCIY-CQSZACIVSA-N 0 3 364.446 2.408 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000411393270 558886886 /nfs/dbraw/zinc/88/68/86/558886886.db2.gz SBQJEELAKNMIMP-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000411659163 558937907 /nfs/dbraw/zinc/93/79/07/558937907.db2.gz YDQXWQVSHCUYLC-XJKSGUPXSA-N 0 3 351.403 2.049 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411929987 558990198 /nfs/dbraw/zinc/99/01/98/558990198.db2.gz YKZAEGZXWSSFSW-NUJGCVRESA-N 0 3 358.394 2.142 20 5 FEBDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945215 558993160 /nfs/dbraw/zinc/99/31/60/558993160.db2.gz KJZYBNOBLGFRDK-BMLIUANNSA-N 0 3 365.386 2.055 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411974384 558997975 /nfs/dbraw/zinc/99/79/75/558997975.db2.gz UARUKEFOFDHJEA-IBGZPJMESA-N 0 3 355.394 2.232 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412086145 559011392 /nfs/dbraw/zinc/01/13/92/559011392.db2.gz BDLIDPVMFZOVAX-LBPRGKRZSA-N 0 3 353.394 2.276 20 5 FEBDHN CN1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)(N2CCOCC2)CC1 ZINC000413481989 559111121 /nfs/dbraw/zinc/11/11/21/559111121.db2.gz OEGZZOSWIQAGBD-UHFFFAOYSA-N 0 3 370.400 2.082 20 5 FEBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415496293 559243358 /nfs/dbraw/zinc/24/33/58/559243358.db2.gz KKFYXFLAIKBOLS-ZDUSSCGKSA-N 0 3 364.446 2.465 20 5 FEBDHN Cc1c(Br)cc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416308954 559304661 /nfs/dbraw/zinc/30/46/61/559304661.db2.gz SQBNCCHQRMNVHX-UHFFFAOYSA-N 0 3 356.220 2.490 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000416482419 559316481 /nfs/dbraw/zinc/31/64/81/559316481.db2.gz FZIKKEQSAHBGQY-SECBINFHSA-N 0 3 369.365 2.090 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c1 ZINC000416547628 559321047 /nfs/dbraw/zinc/32/10/47/559321047.db2.gz AAVHLXWRBMFFPE-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN COC(=O)c1cn(CCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000417334402 559358129 /nfs/dbraw/zinc/35/81/29/559358129.db2.gz RIMBQAMXRDPCQV-HNNXBMFYSA-N 0 3 359.386 2.030 20 5 FEBDHN Cc1cc(N2C[C@H](C)N(CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001124 559425163 /nfs/dbraw/zinc/42/51/63/559425163.db2.gz LHNHHSKGJLVVFA-LSDHHAIUSA-N 0 3 371.441 2.252 20 5 FEBDHN Cc1cc(N2C[C@@H](C)N(CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001120 559425183 /nfs/dbraw/zinc/42/51/83/559425183.db2.gz LHNHHSKGJLVVFA-HUUCEWRRSA-N 0 3 371.441 2.252 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419991724 559468105 /nfs/dbraw/zinc/46/81/05/559468105.db2.gz HCVQVULTFJFLKX-CQSZACIVSA-N 0 3 363.336 2.046 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000419998362 559468265 /nfs/dbraw/zinc/46/82/65/559468265.db2.gz MXTBEMYNVQUSDD-OAQYLSRUSA-N 0 3 367.449 2.114 20 5 FEBDHN NCc1cn([C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368481 559483594 /nfs/dbraw/zinc/48/35/94/559483594.db2.gz ATFXIJDVZHKZFZ-CQSZACIVSA-N 0 3 350.810 2.136 20 5 FEBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCC1 ZINC000420584527 559492991 /nfs/dbraw/zinc/49/29/91/559492991.db2.gz KUNAKVASFXYJBO-UHFFFAOYSA-N 0 3 364.471 2.467 20 5 FEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCc3nnnn3CC2)o1 ZINC000421393545 559540913 /nfs/dbraw/zinc/54/09/13/559540913.db2.gz FDAKXVIXZAGKBF-GFCCVEGCSA-N 0 3 354.370 2.336 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)cc1SC ZINC000421705252 559550176 /nfs/dbraw/zinc/55/01/76/559550176.db2.gz QVKYXJPERYZAQL-LLVKDONJSA-N 0 3 353.444 2.492 20 5 FEBDHN N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411997 559628228 /nfs/dbraw/zinc/62/82/28/559628228.db2.gz GRVNQUBJTOIZAT-ZBFHGGJFSA-N 0 3 361.446 2.300 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424043938 559652414 /nfs/dbraw/zinc/65/24/14/559652414.db2.gz ZSESNZPVEFYWER-DOTOQJQBSA-N 0 3 359.357 2.066 20 5 FEBDHN C[C@@H](CO)N1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450273 559702784 /nfs/dbraw/zinc/70/27/84/559702784.db2.gz UKCKNFMQMXKCNJ-LBPRGKRZSA-N 0 3 372.263 2.246 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428534440 559777309 /nfs/dbraw/zinc/77/73/09/559777309.db2.gz KAOCVKVRLJJOHB-KRWDZBQOSA-N 0 3 373.384 2.482 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1CCO ZINC000429760167 559805080 /nfs/dbraw/zinc/80/50/80/559805080.db2.gz MNDIUXOLDYZSPW-OUCADQQQSA-N 0 3 351.403 2.071 20 5 FEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000431013186 559832216 /nfs/dbraw/zinc/83/22/16/559832216.db2.gz HOPTVJYGCLSQJH-UHFFFAOYSA-N 0 3 369.365 2.409 20 5 FEBDHN O=C(NCCNc1ccncc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431549977 559841243 /nfs/dbraw/zinc/84/12/43/559841243.db2.gz ZFAAUVKNOIDKAG-UHFFFAOYSA-N 0 3 365.187 2.016 20 5 FEBDHN O=C(CCN1CC[C@H](Oc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000431608574 559842465 /nfs/dbraw/zinc/84/24/65/559842465.db2.gz KOYITJCUGNGRNQ-KRWDZBQOSA-N 0 3 356.382 2.472 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433323235 559876951 /nfs/dbraw/zinc/87/69/51/559876951.db2.gz VPLNLHVAYXRDJN-CJNGLKHVSA-N 0 3 350.806 2.295 20 5 FEBDHN Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000440502134 560012708 /nfs/dbraw/zinc/01/27/08/560012708.db2.gz GMWNDIDVMXYEJZ-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000440823428 560019032 /nfs/dbraw/zinc/01/90/32/560019032.db2.gz VLRASYBKMKEEAJ-PXNSSMCTSA-N 0 3 372.421 2.148 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448878366 560204509 /nfs/dbraw/zinc/20/45/09/560204509.db2.gz PSYXTFSDXHGUHI-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156866 560218408 /nfs/dbraw/zinc/21/84/08/560218408.db2.gz TWASIULJGYGGCV-XJKSGUPXSA-N 0 3 357.414 2.045 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234633 560221261 /nfs/dbraw/zinc/22/12/61/560221261.db2.gz QXZAHHNDBWUHAC-GDBMZVCRSA-N 0 3 371.441 2.040 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCCN([C@H](C)CO)CC1 ZINC000450471659 560263484 /nfs/dbraw/zinc/26/34/84/560263484.db2.gz DLKWLBWAECUWKU-CYBMUJFWSA-N 0 3 360.414 2.045 20 5 FEBDHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451237668 560295098 /nfs/dbraw/zinc/29/50/98/560295098.db2.gz CFQQFUHOMUDNRL-GFCCVEGCSA-N 0 3 372.219 2.453 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501278 560310628 /nfs/dbraw/zinc/31/06/28/560310628.db2.gz OSBPHOQGNAMEBY-NZVBXONLSA-N 0 3 351.403 2.334 20 5 FEBDHN CC[C@H]1CN(CC)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451727303 560324994 /nfs/dbraw/zinc/32/49/94/560324994.db2.gz ANRVXVNMWZLKFI-AWEZNQCLSA-N 0 3 362.430 2.309 20 5 FEBDHN O=C(CCN1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890509 560334888 /nfs/dbraw/zinc/33/48/88/560334888.db2.gz NIYZVFBKHMZVGZ-HZMBPMFUSA-N 0 3 361.320 2.169 20 5 FEBDHN O=C(NC[C@@H]1CCCN1CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454192205 560434064 /nfs/dbraw/zinc/43/40/64/560434064.db2.gz BBNYNTIUVONPAK-LBPRGKRZSA-N 0 3 356.810 2.217 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000455252348 560475591 /nfs/dbraw/zinc/47/55/91/560475591.db2.gz UINOANFLOLYYQX-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457082888 560547605 /nfs/dbraw/zinc/54/76/05/560547605.db2.gz FNWFBZJXMFVXPL-OAHLLOKOSA-N 0 3 357.414 2.335 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457109429 560549739 /nfs/dbraw/zinc/54/97/39/560549739.db2.gz GTPBKQGJVHOSCP-CYBMUJFWSA-N 0 3 358.398 2.403 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457117761 560550573 /nfs/dbraw/zinc/55/05/73/560550573.db2.gz MLGFSCTWAVBROZ-LBPRGKRZSA-N 0 3 351.403 2.167 20 5 FEBDHN CN(C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459544611 560693254 /nfs/dbraw/zinc/69/32/54/560693254.db2.gz DOWCDYSBRCUKLR-UHFFFAOYSA-N 0 3 373.251 2.226 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713616 560915473 /nfs/dbraw/zinc/91/54/73/560915473.db2.gz MVPPIATZXHFMAN-MGPLVRAMSA-N 0 3 356.382 2.061 20 5 FEBDHN CCC(CC)(CC(=O)OC)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472435368 561026410 /nfs/dbraw/zinc/02/64/10/561026410.db2.gz GFRTVIHRGLHJJD-UHFFFAOYSA-N 0 3 351.403 2.269 20 5 FEBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000531140303 562436033 /nfs/dbraw/zinc/43/60/33/562436033.db2.gz AUYUOHDPFQXBRF-UHFFFAOYSA-N 0 3 372.267 2.192 20 5 FEBDHN CC[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000532187041 562470276 /nfs/dbraw/zinc/47/02/76/562470276.db2.gz FXNBJXUPOXKKDZ-LBPRGKRZSA-N 0 3 362.352 2.482 20 5 FEBDHN C[C@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162337 562586769 /nfs/dbraw/zinc/58/67/69/562586769.db2.gz VDROBVQRGMRBBA-YWZLYKJASA-N 0 3 369.421 2.409 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000569040513 568278242 /nfs/dbraw/zinc/27/82/42/568278242.db2.gz FUCXDNDBUWQOCT-UHFFFAOYSA-N 0 3 363.462 2.357 20 5 FEBDHN CN(C)C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569629634 568411155 /nfs/dbraw/zinc/41/11/55/568411155.db2.gz PVUJONRSICICII-CQSZACIVSA-N 0 3 363.805 2.490 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[N+](=O)[O-] ZINC000813115174 674721550 /nfs/dbraw/zinc/72/15/50/674721550.db2.gz LZOSILMJKVLZHJ-CYBMUJFWSA-N 0 3 370.427 2.073 20 5 FEBDHN CC(COC(=O)c1cnn(-c2cccc(Br)c2)c1)[N+](=O)[O-] ZINC000813112203 674720998 /nfs/dbraw/zinc/72/09/98/674720998.db2.gz NREWDHOJQPDHGQ-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN Cc1c(Br)cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000571157038 670825573 /nfs/dbraw/zinc/82/55/73/670825573.db2.gz WZTDXTJMTCBPKV-YGRLFVJLSA-N 0 3 368.231 2.442 20 5 FEBDHN CCOC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000581662235 671923089 /nfs/dbraw/zinc/92/30/89/671923089.db2.gz BUNSAKQZDWACNX-UHFFFAOYSA-N 0 3 356.444 2.307 20 5 FEBDHN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000610538796 675978782 /nfs/dbraw/zinc/97/87/82/675978782.db2.gz LAXYNUXAFSNCCV-CYBMUJFWSA-N 0 3 363.439 2.495 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137061160 672140651 /nfs/dbraw/zinc/14/06/51/672140651.db2.gz YNPQXEAPSTWXNJ-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174846765 672363933 /nfs/dbraw/zinc/36/39/33/672363933.db2.gz CYBLCRQKUSQPGO-UHFFFAOYSA-N 0 3 368.865 2.234 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000590165334 672562304 /nfs/dbraw/zinc/56/23/04/672562304.db2.gz GHGYHSJFVQEHSV-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN N[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595232384 673212396 /nfs/dbraw/zinc/21/23/96/673212396.db2.gz ZWPJMPGBJJMIJW-GHMZBOCLSA-N 0 3 361.171 2.260 20 5 FEBDHN COCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000595909006 673337577 /nfs/dbraw/zinc/33/75/77/673337577.db2.gz KVELNTKDRXKNJR-UHFFFAOYSA-N 0 3 351.403 2.481 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000732575225 673372633 /nfs/dbraw/zinc/37/26/33/673372633.db2.gz YBZHOZWWDCXNOZ-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN COc1cc(CN(C)CC2CN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597203657 673456308 /nfs/dbraw/zinc/45/63/08/673456308.db2.gz UMCSWQUSBPNAGK-UHFFFAOYSA-N 0 3 359.373 2.241 20 5 FEBDHN CCCN1CC[C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342408 673561545 /nfs/dbraw/zinc/56/15/45/673561545.db2.gz MUNHSHNTJVTATC-AWEZNQCLSA-N 0 3 367.471 2.437 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625765 673698752 /nfs/dbraw/zinc/69/87/52/673698752.db2.gz OKGHCQPSVXIONE-VZAVHYRXSA-N 0 3 351.403 2.332 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625082 673698793 /nfs/dbraw/zinc/69/87/93/673698793.db2.gz LHIXCMIYKPYVGK-UWCDFFNFSA-N 0 3 351.403 2.334 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601356614 673847551 /nfs/dbraw/zinc/84/75/51/673847551.db2.gz SJPUQRBKWKVQIC-ZYHUDNBSSA-N 0 3 361.489 2.316 20 5 FEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCC1CS(=O)(=O)C1 ZINC000602629578 673908668 /nfs/dbraw/zinc/90/86/68/673908668.db2.gz LQQFXXJTNKNHCV-UHFFFAOYSA-N 0 3 352.334 2.138 20 5 FEBDHN CN1CCC(N(CCO)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000824158160 675586438 /nfs/dbraw/zinc/58/64/38/675586438.db2.gz NQOOMUPPXDMPGQ-UHFFFAOYSA-N 0 3 369.849 2.096 20 5 FEBDHN CC(C)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839720188 680774285 /nfs/dbraw/zinc/77/42/85/680774285.db2.gz IRWBHNVPGDLFSV-MPESAESLSA-N 0 3 353.369 2.270 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1N1CCCC1 ZINC000832132162 680099748 /nfs/dbraw/zinc/09/97/48/680099748.db2.gz TXWXFWVEKFQUMX-CABCVRRESA-N 0 3 353.419 2.386 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000832690412 680166089 /nfs/dbraw/zinc/16/60/89/680166089.db2.gz GESOGFFYGIWWGA-JOYOIKCWSA-N 0 3 354.204 2.133 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(Cc3cccc(Cl)c3)C2)CC1 ZINC001035704424 680450995 /nfs/dbraw/zinc/45/09/95/680450995.db2.gz OGGPUQLUWGWCEZ-HZPDHXFCSA-N 0 3 363.845 2.430 20 5 FEBDHN O=C(NCC1CCN(Cc2cccc(F)c2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399750 680460589 /nfs/dbraw/zinc/46/05/89/680460589.db2.gz NFQLDCUZRRAPPN-UKRRQHHQSA-N 0 3 369.824 2.473 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cs1 ZINC000768864438 680962251 /nfs/dbraw/zinc/96/22/51/680962251.db2.gz RAHIECVLMXVRBV-FZMZJTMJSA-N 0 3 371.484 2.294 20 5 FEBDHN COC(=O)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845873573 681158366 /nfs/dbraw/zinc/15/83/66/681158366.db2.gz DBZOVQIXHDNOKW-SDBXPKJASA-N 0 3 352.274 2.164 20 5 FEBDHN CC([C@@H](OC(=O)c1coc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880714 681158948 /nfs/dbraw/zinc/15/89/48/681158948.db2.gz JERXQDPBZQVFFB-YMTOWFKASA-N 0 3 371.342 2.386 20 5 FEBDHN CC(C)(O)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000774904707 681248592 /nfs/dbraw/zinc/24/85/92/681248592.db2.gz JSVVCUSEKFYBMJ-UHFFFAOYSA-N 0 3 353.375 2.255 20 5 FEBDHN C[C@@H](COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCCC1 ZINC000847958764 681455752 /nfs/dbraw/zinc/45/57/52/681455752.db2.gz AWRUSDHUXAMQCP-LBPRGKRZSA-N 0 3 350.371 2.397 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(Cc3nccs3)CC2)CC1 ZINC000957547325 681906404 /nfs/dbraw/zinc/90/64/04/681906404.db2.gz BAOXIWZMTKPZHI-ZIAGYGMSSA-N 0 3 364.471 2.013 20 5 FEBDHN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)C[C@@]13CCN(C1)CCC3)CC2 ZINC000914327015 685504121 /nfs/dbraw/zinc/50/41/21/685504121.db2.gz XTYARKWNQAETIH-KRWDZBQOSA-N 0 3 365.455 2.081 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2(N(C)C)CCC2)c1 ZINC000782481755 682047557 /nfs/dbraw/zinc/04/75/57/682047557.db2.gz CSWUGVFTFGMTMG-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN CCC(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000917652034 685533524 /nfs/dbraw/zinc/53/35/24/685533524.db2.gz LEGOXUGKWMTHSV-CQSZACIVSA-N 0 3 361.439 2.379 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000918468360 685539277 /nfs/dbraw/zinc/53/92/77/685539277.db2.gz QNDUVTYXYVJTFE-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000928430958 683449960 /nfs/dbraw/zinc/44/99/60/683449960.db2.gz KHLLQHXXMKQBLT-BXKDBHETSA-N 0 3 356.220 2.109 20 5 FEBDHN COc1cc(CNC[C@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000922574320 683748324 /nfs/dbraw/zinc/74/83/24/683748324.db2.gz LGZUOYSPLDTZQC-LLVKDONJSA-N 0 3 363.336 2.338 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1F ZINC000866985662 684191686 /nfs/dbraw/zinc/19/16/86/684191686.db2.gz KBRRPOSEHZSREH-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN COC(=O)C[C@@](C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000877707400 686441684 /nfs/dbraw/zinc/44/16/84/686441684.db2.gz RWLVVUIQXWUYPA-QGZVFWFLSA-N 0 3 350.371 2.283 20 5 FEBDHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135178 687004276 /nfs/dbraw/zinc/00/42/76/687004276.db2.gz RFOLBWXHAACTFD-ZIAGYGMSSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCNCCC23CCC3)c1C ZINC000883478066 687642536 /nfs/dbraw/zinc/64/25/36/687642536.db2.gz VFBCRDRPNAGBQD-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNCCC23CCC3)c(Cl)c1 ZINC000883478440 687642654 /nfs/dbraw/zinc/64/26/54/687642654.db2.gz JMQZWVGROQFCPQ-UHFFFAOYSA-N 0 3 359.835 2.155 20 5 FEBDHN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220392 689990150 /nfs/dbraw/zinc/99/01/50/689990150.db2.gz AHYOLOKMHZEZCQ-STQMWFEESA-N 0 3 370.247 2.393 20 5 FEBDHN Nc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164909329 721541642 /nfs/dbraw/zinc/54/16/42/721541642.db2.gz RMJSKYNZDCGVNW-DZGCQCFKSA-N 0 3 373.388 2.053 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000472657775 887295840 /nfs/dbraw/zinc/29/58/40/887295840.db2.gz AMVBTLMPEDDOCW-CYBMUJFWSA-N 0 3 360.418 2.083 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000359872568 210194005 /nfs/dbraw/zinc/19/40/05/210194005.db2.gz OPYXUNYYBMUTKP-DLBZAZTESA-N 0 3 357.410 2.294 20 5 FEBDHN CN(C)Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023898679 539721810 /nfs/dbraw/zinc/72/18/10/539721810.db2.gz FHRHYBMVXAAURY-UHFFFAOYSA-N 0 3 370.409 2.415 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000041669658 540030121 /nfs/dbraw/zinc/03/01/21/540030121.db2.gz CDMOPNWGUBNQIB-NSHDSACASA-N 0 3 368.821 2.035 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046878845 540274999 /nfs/dbraw/zinc/27/49/99/540274999.db2.gz UQAKYURZJDPGER-ZDUSSCGKSA-N 0 3 365.430 2.464 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047148628 540292476 /nfs/dbraw/zinc/29/24/76/540292476.db2.gz RVGBCMCXSPFEOD-GFCCVEGCSA-N 0 3 351.403 2.074 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC2CCCC2)cccc1[N+](=O)[O-] ZINC000048716903 540371563 /nfs/dbraw/zinc/37/15/63/540371563.db2.gz CIUAMKAQVFNYBU-LBPRGKRZSA-N 0 3 354.428 2.265 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000052877847 540497289 /nfs/dbraw/zinc/49/72/89/540497289.db2.gz OLRFMWIUEPSMQC-ZDUSSCGKSA-N 0 3 351.432 2.052 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000055280962 540642783 /nfs/dbraw/zinc/64/27/83/540642783.db2.gz MIPCESSMDSYHMV-GFCCVEGCSA-N 0 3 359.423 2.134 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000057700860 540809332 /nfs/dbraw/zinc/80/93/32/540809332.db2.gz JIYFTFPKSLAEAS-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN CN(C)Cc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000067136688 541422713 /nfs/dbraw/zinc/42/27/13/541422713.db2.gz WXCLRTXODYUYPS-UHFFFAOYSA-N 0 3 366.381 2.489 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000068130366 541553309 /nfs/dbraw/zinc/55/33/09/541553309.db2.gz ZZXPISRHIRLPHR-UHFFFAOYSA-N 0 3 372.425 2.264 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000068790442 541628897 /nfs/dbraw/zinc/62/88/97/541628897.db2.gz QEWUYSTZZQESAU-KBPBESRZSA-N 0 3 365.430 2.361 20 5 FEBDHN CCCN1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000074290058 542064972 /nfs/dbraw/zinc/06/49/72/542064972.db2.gz COYHIKXUOPBDIP-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000075656586 542195823 /nfs/dbraw/zinc/19/58/23/542195823.db2.gz GEJJNWZPRPISEG-ZDUSSCGKSA-N 0 3 355.460 2.446 20 5 FEBDHN CCN(CC)[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078576674 542468871 /nfs/dbraw/zinc/46/88/71/542468871.db2.gz NGVRLRWFBNOGRB-OAHLLOKOSA-N 0 3 371.441 2.480 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000085545547 542729079 /nfs/dbraw/zinc/72/90/79/542729079.db2.gz OZWRCJWFWWCMEB-HZPDHXFCSA-N 0 3 362.430 2.356 20 5 FEBDHN Cn1ccnc1[C@H](O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089924961 542773038 /nfs/dbraw/zinc/77/30/38/542773038.db2.gz ZWRYKGVFLCBYEC-QGZVFWFLSA-N 0 3 360.414 2.153 20 5 FEBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000092622410 542875754 /nfs/dbraw/zinc/87/57/54/542875754.db2.gz OYKHAYHEEDEBIS-UHFFFAOYSA-N 0 3 366.437 2.206 20 5 FEBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439784 549334007 /nfs/dbraw/zinc/33/40/07/549334007.db2.gz WNOGLJFNWWAWGF-DOTOQJQBSA-N 0 3 374.441 2.023 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](c1cccs1)N1CCCC1 ZINC000097251469 543008385 /nfs/dbraw/zinc/00/83/85/543008385.db2.gz ZIAQPPVDGRBQPI-CYBMUJFWSA-N 0 3 361.427 2.399 20 5 FEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000106086020 543193368 /nfs/dbraw/zinc/19/33/68/543193368.db2.gz QJFZYSVQLGSTFA-INIZCTEOSA-N 0 3 357.414 2.364 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891734 543253073 /nfs/dbraw/zinc/25/30/73/543253073.db2.gz OYPJUGYCFZZGIJ-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN Cn1cc(C(=O)NC[C@H]2CCCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108342249 543286714 /nfs/dbraw/zinc/28/67/14/543286714.db2.gz UXIHQHDRDZHMSF-CYBMUJFWSA-N 0 3 357.414 2.067 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000108341968 543287215 /nfs/dbraw/zinc/28/72/15/543287215.db2.gz PMGUUJQUDAUIOW-NWDGAFQWSA-N 0 3 355.822 2.474 20 5 FEBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C)C1 ZINC000109986184 543345690 /nfs/dbraw/zinc/34/56/90/543345690.db2.gz MWKCHWVNIGDFBR-OLZOCXBDSA-N 0 3 372.425 2.287 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109966780 543345280 /nfs/dbraw/zinc/34/52/80/543345280.db2.gz XFUWIILZSMJUQK-QGZVFWFLSA-N 0 3 357.414 2.385 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(Cl)cc1 ZINC000116922434 543619990 /nfs/dbraw/zinc/61/99/90/543619990.db2.gz XKKJBRUVFKYEKH-UHFFFAOYSA-N 0 3 369.830 2.316 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000122788663 543723775 /nfs/dbraw/zinc/72/37/75/543723775.db2.gz KJZLGYXNMJEVSP-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000124407269 543819587 /nfs/dbraw/zinc/81/95/87/543819587.db2.gz OWVNHCURBOAARH-ZIAGYGMSSA-N 0 3 357.414 2.335 20 5 FEBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125456681 543882400 /nfs/dbraw/zinc/88/24/00/543882400.db2.gz GFKNPQFTOAMHAE-INIZCTEOSA-N 0 3 371.441 2.313 20 5 FEBDHN Cc1nccn1CCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488466 544153212 /nfs/dbraw/zinc/15/32/12/544153212.db2.gz LXFSJRRBVDWABF-KRWDZBQOSA-N 0 3 357.414 2.227 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131634592 544199329 /nfs/dbraw/zinc/19/93/29/544199329.db2.gz ZSFYLPIQLYBZKR-OAHLLOKOSA-N 0 3 350.415 2.491 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000134913994 544327072 /nfs/dbraw/zinc/32/70/72/544327072.db2.gz GZQVPKQFSQVAIT-HOCLYGCPSA-N 0 3 371.441 2.306 20 5 FEBDHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452937 544347572 /nfs/dbraw/zinc/34/75/72/544347572.db2.gz WIDZTIIFAUBGKF-HZPDHXFCSA-N 0 3 358.398 2.070 20 5 FEBDHN Cn1ccnc1[C@@H](O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000136220158 544369334 /nfs/dbraw/zinc/36/93/34/544369334.db2.gz XHMYZPSPQPSRCR-KRWDZBQOSA-N 0 3 360.414 2.153 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1C ZINC000146612277 544440282 /nfs/dbraw/zinc/44/02/82/544440282.db2.gz KXRXRRBKPVTGFO-CQSZACIVSA-N 0 3 353.444 2.070 20 5 FEBDHN CS[C@@H](CO)[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152489015 544660665 /nfs/dbraw/zinc/66/06/65/544660665.db2.gz LTVPPNBPBMHRIL-NHYWBVRUSA-N 0 3 350.444 2.197 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152916337 544710647 /nfs/dbraw/zinc/71/06/47/544710647.db2.gz SPIXQLNHFIBVCX-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)c1 ZINC000185905345 327938302 /nfs/dbraw/zinc/93/83/02/327938302.db2.gz XXCRBYVEMMPBOM-UHFFFAOYSA-N 0 3 353.444 2.280 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000186987393 327995557 /nfs/dbraw/zinc/99/55/57/327995557.db2.gz OLAOCLIGTHBLRW-UHFFFAOYSA-N 0 3 350.375 2.368 20 5 FEBDHN CSc1cccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000187095158 328001994 /nfs/dbraw/zinc/00/19/94/328001994.db2.gz HHYQGEIREKUGDP-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189276775 328138711 /nfs/dbraw/zinc/13/87/11/328138711.db2.gz JCWAGBWQBWIZIU-LRDDRELGSA-N 0 3 351.403 2.289 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000191413973 328264584 /nfs/dbraw/zinc/26/45/84/328264584.db2.gz UKGXNPNYGAXQOB-OAHLLOKOSA-N 0 3 363.462 2.359 20 5 FEBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000193689470 328389811 /nfs/dbraw/zinc/38/98/11/328389811.db2.gz CMHUYOGERVBHPS-HNNXBMFYSA-N 0 3 351.790 2.387 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000193918302 328401885 /nfs/dbraw/zinc/40/18/85/328401885.db2.gz WIFQKKYMCNPTRX-UHFFFAOYSA-N 0 3 355.460 2.444 20 5 FEBDHN CN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000087005572 325269454 /nfs/dbraw/zinc/26/94/54/325269454.db2.gz BOYSMGJHBBLBPZ-UHFFFAOYSA-N 0 3 356.220 2.110 20 5 FEBDHN N[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000237841341 328531051 /nfs/dbraw/zinc/53/10/51/328531051.db2.gz CJWHOPPXTVDORX-GOSISDBHSA-N 0 3 354.410 2.334 20 5 FEBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCC1CCN(c2ccncc2)CC1 ZINC000093191591 325437409 /nfs/dbraw/zinc/43/74/09/325437409.db2.gz CVRYRUCVKZAUEI-UHFFFAOYSA-N 0 3 370.409 2.401 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117790595 326071178 /nfs/dbraw/zinc/07/11/78/326071178.db2.gz CNPQNEROZPSQSY-AWEZNQCLSA-N 0 3 355.822 2.018 20 5 FEBDHN CCCc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000118494321 326091699 /nfs/dbraw/zinc/09/16/99/326091699.db2.gz JKUKMXDFNAVFRE-UHFFFAOYSA-N 0 3 361.402 2.463 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120863552 326294376 /nfs/dbraw/zinc/29/43/76/326294376.db2.gz SNBPUIWIOPPKRE-DYVFJYSZSA-N 0 3 357.414 2.193 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCCC1 ZINC000122849261 326411529 /nfs/dbraw/zinc/41/15/29/326411529.db2.gz KHVIFWVRSOVGLD-INIZCTEOSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000125038643 326464440 /nfs/dbraw/zinc/46/44/40/326464440.db2.gz QXQLYQTUHUZNSY-CQSZACIVSA-N 0 3 360.389 2.219 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000126872035 326496573 /nfs/dbraw/zinc/49/65/73/326496573.db2.gz GRSXDXFVWURMIK-AWEZNQCLSA-N 0 3 359.382 2.148 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000130958382 326566409 /nfs/dbraw/zinc/56/64/09/326566409.db2.gz CDLQXDNTDYEQCN-UHFFFAOYSA-N 0 3 354.370 2.153 20 5 FEBDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313704 326572405 /nfs/dbraw/zinc/57/24/05/326572405.db2.gz QYCMHZNKDAJQPT-GAFUQQFSSA-N 0 3 368.821 2.209 20 5 FEBDHN CN(C)CCOc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000135522487 326643206 /nfs/dbraw/zinc/64/32/06/326643206.db2.gz LPIBAXHMRLTKAF-UHFFFAOYSA-N 0 3 359.386 2.252 20 5 FEBDHN Cc1nc(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000156928777 326848932 /nfs/dbraw/zinc/84/89/32/326848932.db2.gz HRSJEVGHCLCTDL-UHFFFAOYSA-N 0 3 359.386 2.494 20 5 FEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171013815 327112426 /nfs/dbraw/zinc/11/24/26/327112426.db2.gz JUHHYDMCJRJJNE-UHFFFAOYSA-N 0 3 359.430 2.361 20 5 FEBDHN CCc1n[n-]c(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171807089 327162614 /nfs/dbraw/zinc/16/26/14/327162614.db2.gz VNYRRHOQAXEQMQ-ZDUSSCGKSA-N 0 3 361.402 2.349 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000172140795 327183477 /nfs/dbraw/zinc/18/34/77/327183477.db2.gz HHNTVWJBZDEGML-CYBMUJFWSA-N 0 3 350.419 2.087 20 5 FEBDHN CN1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000172755161 327217192 /nfs/dbraw/zinc/21/71/92/327217192.db2.gz GLQLNDOUGUDZGA-UHFFFAOYSA-N 0 3 360.458 2.275 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000173023144 327230963 /nfs/dbraw/zinc/23/09/63/327230963.db2.gz KMOHVTYGQLGCJN-SNVBAGLBSA-N 0 3 359.835 2.011 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173830094 327287402 /nfs/dbraw/zinc/28/74/02/327287402.db2.gz LGKKFYTUJMGATM-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718332 327345233 /nfs/dbraw/zinc/34/52/33/327345233.db2.gz UFDOBDYYTPUNDW-MFKMUULPSA-N 0 3 356.329 2.104 20 5 FEBDHN COc1cc(CCNC(=O)C[C@H](N)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178807735 327608057 /nfs/dbraw/zinc/60/80/57/327608057.db2.gz OSJMYFNXIUFHIX-HNNXBMFYSA-N 0 3 373.409 2.361 20 5 FEBDHN COC(=O)[C@@H]1CC12CCN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000265090717 329089822 /nfs/dbraw/zinc/08/98/22/329089822.db2.gz UQVQEWULYFECNT-HNNXBMFYSA-N 0 3 362.382 2.236 20 5 FEBDHN COc1ccc2cc(CN(C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266454077 329224558 /nfs/dbraw/zinc/22/45/58/329224558.db2.gz OXORMEQHACCWTD-SFHVURJKSA-N 0 3 370.409 2.446 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269279473 329503268 /nfs/dbraw/zinc/50/32/68/329503268.db2.gz PLRMURMGUOSQEN-UHFFFAOYSA-N 0 3 374.235 2.008 20 5 FEBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269505872 329526618 /nfs/dbraw/zinc/52/66/18/329526618.db2.gz YZFLPRNPBHRVOK-VIFPVBQESA-N 0 3 369.365 2.232 20 5 FEBDHN CCC(CC)(CNCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000270779538 329630987 /nfs/dbraw/zinc/63/09/87/329630987.db2.gz HCKASYWZOLOEPD-UHFFFAOYSA-N 0 3 367.402 2.111 20 5 FEBDHN COc1ccc(OCCN[C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000272970234 329827324 /nfs/dbraw/zinc/82/73/24/329827324.db2.gz CAYNZLSQBPLOBJ-OAHLLOKOSA-N 0 3 350.346 2.445 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCCCC2)CC1 ZINC000276109073 330120245 /nfs/dbraw/zinc/12/02/45/330120245.db2.gz VMWZVQRJUUVMNO-UHFFFAOYSA-N 0 3 367.471 2.453 20 5 FEBDHN CC1CCN(CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000156450741 545628382 /nfs/dbraw/zinc/62/83/82/545628382.db2.gz WGUKGOKXJUJGGX-UHFFFAOYSA-N 0 3 369.487 2.179 20 5 FEBDHN C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156547869 545635036 /nfs/dbraw/zinc/63/50/36/545635036.db2.gz SGAHHYFCFUHKHK-ZVZYQTTQSA-N 0 3 360.414 2.114 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000157215787 545715220 /nfs/dbraw/zinc/71/52/20/545715220.db2.gz PCYWOXDGUGRRIG-UHFFFAOYSA-N 0 3 357.410 2.433 20 5 FEBDHN COc1ccc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000478066183 561159484 /nfs/dbraw/zinc/15/94/84/561159484.db2.gz XLDDJGIZDQEJAH-UHFFFAOYSA-N 0 3 360.370 2.191 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177142607 546553114 /nfs/dbraw/zinc/55/31/14/546553114.db2.gz KTDXFAVYKSMJFE-OLZOCXBDSA-N 0 3 355.398 2.136 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760384 547009285 /nfs/dbraw/zinc/00/92/85/547009285.db2.gz MSJCKVAOQVZHMX-ZDUSSCGKSA-N 0 3 370.409 2.456 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000180582677 547135825 /nfs/dbraw/zinc/13/58/25/547135825.db2.gz SWMKGGBHGAPCJF-DZGCQCFKSA-N 0 3 369.425 2.355 20 5 FEBDHN O=C(CCN1CCC(O[C@@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000483018975 561265201 /nfs/dbraw/zinc/26/52/01/561265201.db2.gz LTUYKHYYEUMYRI-QGZVFWFLSA-N 0 3 363.414 2.193 20 5 FEBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181279678 547284711 /nfs/dbraw/zinc/28/47/11/547284711.db2.gz AZEXFILUYIOLLM-AWEZNQCLSA-N 0 3 361.398 2.318 20 5 FEBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277040 561272834 /nfs/dbraw/zinc/27/28/34/561272834.db2.gz IMHLIZNBIYTTFS-BBRMVZONSA-N 0 3 361.398 2.264 20 5 FEBDHN CC(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656337 547353981 /nfs/dbraw/zinc/35/39/81/547353981.db2.gz LRABHPPYRNJZLC-CZUORRHYSA-N 0 3 354.357 2.417 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000182007262 547420599 /nfs/dbraw/zinc/42/05/99/547420599.db2.gz LXXPKNFYIBJITC-INIZCTEOSA-N 0 3 362.430 2.256 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000483727023 561282797 /nfs/dbraw/zinc/28/27/97/561282797.db2.gz NFHQUTCFCMZTPH-PEYYIBSZSA-N 0 3 351.403 2.478 20 5 FEBDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183639781 547693479 /nfs/dbraw/zinc/69/34/79/547693479.db2.gz NHTJFPHQRHVBMC-UHFFFAOYSA-N 0 3 365.459 2.473 20 5 FEBDHN COc1cc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc([N+](=O)[O-])c1C ZINC000484641147 561302015 /nfs/dbraw/zinc/30/20/15/561302015.db2.gz APDBAVQXJWIBQL-UHFFFAOYSA-N 0 3 374.397 2.500 20 5 FEBDHN CC1CCN([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000194608391 548504813 /nfs/dbraw/zinc/50/48/13/548504813.db2.gz XJRHTTFSMHHGEV-GOSISDBHSA-N 0 3 371.441 2.381 20 5 FEBDHN COc1ccc(CSCC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237215030 548809310 /nfs/dbraw/zinc/80/93/10/548809310.db2.gz JILQLAKZTQCVJP-VXGBXAGGSA-N 0 3 353.444 2.045 20 5 FEBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000246719427 549195696 /nfs/dbraw/zinc/19/56/96/549195696.db2.gz KGVADHMQVPDBQZ-GJZGRUSLSA-N 0 3 374.441 2.175 20 5 FEBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000248452841 549440812 /nfs/dbraw/zinc/44/08/12/549440812.db2.gz JUQJNNLSBQFNIE-HLLBOEOZSA-N 0 3 360.414 2.114 20 5 FEBDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@H]1C ZINC000489395452 561409824 /nfs/dbraw/zinc/40/98/24/561409824.db2.gz CTWVZFUNRSBULI-WMLDXEAASA-N 0 3 365.430 2.358 20 5 FEBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489508991 561413089 /nfs/dbraw/zinc/41/30/89/561413089.db2.gz KMNQJXNAQOGCBV-ZFWWWQNUSA-N 0 3 354.403 2.108 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250706843 549643556 /nfs/dbraw/zinc/64/35/56/549643556.db2.gz ZTYJAKLJENDVCX-OCCSQVGLSA-N 0 3 362.430 2.078 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000252656436 549675808 /nfs/dbraw/zinc/67/58/08/549675808.db2.gz GJSCUXJNEYMIQI-HOTGVXAUSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1c(NC(=O)CCN2CCNC[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000261629630 549736217 /nfs/dbraw/zinc/73/62/17/549736217.db2.gz DTGOCKOBNORMET-SFHVURJKSA-N 0 3 369.425 2.273 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261666427 549740368 /nfs/dbraw/zinc/74/03/68/549740368.db2.gz HILXBRGDXRSFST-JEBQAFNWSA-N 0 3 354.410 2.349 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCNC[C@H]3c3cccnc3)n2)c1 ZINC000261783383 549754828 /nfs/dbraw/zinc/75/48/28/549754828.db2.gz PQLKLWKIGXTUHH-INIZCTEOSA-N 0 3 366.381 2.186 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263978706 549962772 /nfs/dbraw/zinc/96/27/72/549962772.db2.gz AJXMZKJMOACFQG-CYBMUJFWSA-N 0 3 351.407 2.189 20 5 FEBDHN COC(=O)c1cc(NC2CCN(CCN(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268486356 550074817 /nfs/dbraw/zinc/07/48/17/550074817.db2.gz MSBUSIZOVRGYNE-UHFFFAOYSA-N 0 3 364.446 2.128 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708181 561457736 /nfs/dbraw/zinc/45/77/36/561457736.db2.gz OZXREGGBLFALQE-CXMBCZLWSA-N 0 3 351.403 2.071 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000271338359 550366278 /nfs/dbraw/zinc/36/62/78/550366278.db2.gz BJKBMBAOEDVENV-UHFFFAOYSA-N 0 3 372.425 2.496 20 5 FEBDHN COC(=O)c1cnc(NCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000276683810 550585051 /nfs/dbraw/zinc/58/50/51/550585051.db2.gz GGFLVSYZVMGENC-UHFFFAOYSA-N 0 3 371.397 2.500 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000276920146 550611127 /nfs/dbraw/zinc/61/11/27/550611127.db2.gz HACKKBKYXKOUBF-HOCLYGCPSA-N 0 3 351.403 2.479 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000276921333 550611402 /nfs/dbraw/zinc/61/14/02/550611402.db2.gz YUALKWSHLXZRNA-ZFWWWQNUSA-N 0 3 353.444 2.029 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCO1 ZINC000277753448 550710097 /nfs/dbraw/zinc/71/00/97/550710097.db2.gz YWKAPPDTIFQJIB-ZDUSSCGKSA-N 0 3 360.414 2.307 20 5 FEBDHN C[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754031 550710211 /nfs/dbraw/zinc/71/02/11/550710211.db2.gz RTRQPFSODYBJMU-CABCVRRESA-N 0 3 364.446 2.456 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000278278278 550768187 /nfs/dbraw/zinc/76/81/87/550768187.db2.gz AERUUOISHUMFSC-NFBGWVBBSA-N 0 3 359.426 2.320 20 5 FEBDHN Cc1cc([N+](=O)[O-])cn(C[C@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000278518632 550794602 /nfs/dbraw/zinc/79/46/02/550794602.db2.gz GCIWXYXJBOLCOW-GOSISDBHSA-N 0 3 357.410 2.356 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799878 550823563 /nfs/dbraw/zinc/82/35/63/550823563.db2.gz XOQSTOYLTMVSHF-WBMJQRKESA-N 0 3 372.429 2.097 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000278855807 550829568 /nfs/dbraw/zinc/82/95/68/550829568.db2.gz MNXGWTHIWUZFCQ-LFAOLKIESA-N 0 3 359.426 2.320 20 5 FEBDHN COCCN1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280216740 550972362 /nfs/dbraw/zinc/97/23/62/550972362.db2.gz QNRKHTUHRBWVOC-UHFFFAOYSA-N 0 3 373.812 2.157 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC(N3CCc4cc(F)ccc43)CC2)n1 ZINC000282512193 551239754 /nfs/dbraw/zinc/23/97/54/551239754.db2.gz OOLAERHWKOORCV-UHFFFAOYSA-N 0 3 359.405 2.458 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000285550067 551773551 /nfs/dbraw/zinc/77/35/51/551773551.db2.gz IRIKXBYUEXNAFG-PBWFPOADSA-N 0 3 353.444 2.149 20 5 FEBDHN CCOc1ccc(NC(=O)CN2C[C@H](C)N(CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000498928053 561538318 /nfs/dbraw/zinc/53/83/18/561538318.db2.gz HUKGHZMKDQKOHO-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)s1 ZINC000286190135 551859270 /nfs/dbraw/zinc/85/92/70/551859270.db2.gz AZYOFSNLECFUKI-MRXNPFEDSA-N 0 3 373.482 2.448 20 5 FEBDHN COc1cccc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286288769 551870251 /nfs/dbraw/zinc/87/02/51/551870251.db2.gz HKHKNMWTOCIBIG-AGUYFDCRSA-N 0 3 362.430 2.099 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000286618772 551907026 /nfs/dbraw/zinc/90/70/26/551907026.db2.gz HWPPWANSNFLWSS-UKRRQHHQSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1F ZINC000286720372 551918439 /nfs/dbraw/zinc/91/84/39/551918439.db2.gz NGCUHBHBKRZJMG-TZMCWYRMSA-N 0 3 371.434 2.290 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000288011285 552074576 /nfs/dbraw/zinc/07/45/76/552074576.db2.gz BMCHHIZYTICRNB-UHFFFAOYSA-N 0 3 373.461 2.139 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000288823518 552219297 /nfs/dbraw/zinc/21/92/97/552219297.db2.gz IJERFZIRCGTCTO-IAGOWNOFSA-N 0 3 373.457 2.415 20 5 FEBDHN CCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500479193 561574467 /nfs/dbraw/zinc/57/44/67/561574467.db2.gz NOCWDJLCKQKUKS-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000500548599 561576687 /nfs/dbraw/zinc/57/66/87/561576687.db2.gz VFPPDBIMLZJNSR-RISCZKNCSA-N 0 3 361.851 2.056 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290175291 552438515 /nfs/dbraw/zinc/43/85/15/552438515.db2.gz QDSPOUXLCPRGEE-LJQANCHMSA-N 0 3 369.421 2.440 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1SC ZINC000292382701 552721796 /nfs/dbraw/zinc/72/17/96/552721796.db2.gz XMLSGKGVHFNDKE-QGZVFWFLSA-N 0 3 365.455 2.493 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292827939 552762218 /nfs/dbraw/zinc/76/22/18/552762218.db2.gz OPCWDMVEIQERAU-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000293501374 552830375 /nfs/dbraw/zinc/83/03/75/552830375.db2.gz XFPBBHQXEARCQT-IBGZPJMESA-N 0 3 374.441 2.040 20 5 FEBDHN CCC[C@H](C)C(=O)NCCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590295 552838374 /nfs/dbraw/zinc/83/83/74/552838374.db2.gz CRQOIUKNSBBDBT-KBPBESRZSA-N 0 3 364.446 2.454 20 5 FEBDHN Cc1nn([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128301 552884155 /nfs/dbraw/zinc/88/41/55/552884155.db2.gz FGKPFKIRRLLXEF-GDBMZVCRSA-N 0 3 357.414 2.051 20 5 FEBDHN CN1CCCN(c2ccc(-c3noc(CCC(C)(C)[N+](=O)[O-])n3)cn2)CC1 ZINC000297154114 553256648 /nfs/dbraw/zinc/25/66/48/553256648.db2.gz BANVMFBENOQMBU-UHFFFAOYSA-N 0 3 374.445 2.261 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000297583360 553311650 /nfs/dbraw/zinc/31/16/50/553311650.db2.gz YVCRBYLTBIBOBJ-UHFFFAOYSA-N 0 3 374.445 2.497 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297749285 553334098 /nfs/dbraw/zinc/33/40/98/553334098.db2.gz DPMZRJHERWUTMC-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000297763344 553336017 /nfs/dbraw/zinc/33/60/17/553336017.db2.gz FOFLLBQCJDTYGO-AWEZNQCLSA-N 0 3 364.446 2.243 20 5 FEBDHN CC(C)N1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298035816 553374760 /nfs/dbraw/zinc/37/47/60/553374760.db2.gz GBTNVOBEGMYYEX-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN CCN(C)C(=O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000298484363 553430844 /nfs/dbraw/zinc/43/08/44/553430844.db2.gz SZWWEFFDQPHZCI-INIZCTEOSA-N 0 3 350.419 2.016 20 5 FEBDHN CN(C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1cccs1 ZINC000298799438 553474519 /nfs/dbraw/zinc/47/45/19/553474519.db2.gz QIVMDVKCVTXJQT-CYBMUJFWSA-N 0 3 370.456 2.019 20 5 FEBDHN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)[NH+]2CCCC2)cc1 ZINC000298875632 553483930 /nfs/dbraw/zinc/48/39/30/553483930.db2.gz XTMCKDYIJLUOHF-MRXNPFEDSA-N 0 3 358.398 2.498 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000299552671 553579907 /nfs/dbraw/zinc/57/99/07/553579907.db2.gz GEFUBDRGEXDAIG-MNOVXSKESA-N 0 3 368.821 2.128 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000299668921 553600559 /nfs/dbraw/zinc/60/05/59/553600559.db2.gz MCNVRAKXHKRMHE-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702589 553603307 /nfs/dbraw/zinc/60/33/07/553603307.db2.gz FKAUYJOKPRNYBP-CYBMUJFWSA-N 0 3 354.476 2.144 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301099731 553621869 /nfs/dbraw/zinc/62/18/69/553621869.db2.gz SMODTHDJZBEPKL-AWEZNQCLSA-N 0 3 355.398 2.165 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000330892311 554184090 /nfs/dbraw/zinc/18/40/90/554184090.db2.gz XQYIVLQLMFKIRQ-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1C ZINC000331382974 554254914 /nfs/dbraw/zinc/25/49/14/554254914.db2.gz BQTPYDQCNHTUBK-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000509023516 561782006 /nfs/dbraw/zinc/78/20/06/561782006.db2.gz WLKOOVNHWWHJRS-UGSOOPFHSA-N 0 3 368.428 2.331 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nnnn1-c1ccccc1 ZINC000509427751 561799205 /nfs/dbraw/zinc/79/92/05/561799205.db2.gz ARKQXZZKWKJFED-UHFFFAOYSA-N 0 3 368.397 2.302 20 5 FEBDHN CCN1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000331964745 554354138 /nfs/dbraw/zinc/35/41/38/554354138.db2.gz APVJPNFNXCTMGY-ZIAGYGMSSA-N 0 3 362.430 2.307 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071217 554373983 /nfs/dbraw/zinc/37/39/83/554373983.db2.gz CCAIPZRRAANSTF-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332075838 554375433 /nfs/dbraw/zinc/37/54/33/554375433.db2.gz FYOSERRNAMHHPK-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000332562101 554472042 /nfs/dbraw/zinc/47/20/42/554472042.db2.gz XEQUJCZWTKNXAR-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510713688 561844336 /nfs/dbraw/zinc/84/43/36/561844336.db2.gz BKBZYTZAALPXFT-ZIAGYGMSSA-N 0 3 373.450 2.381 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702485 554668819 /nfs/dbraw/zinc/66/88/19/554668819.db2.gz UGHJRFRQQDTYOP-CQSZACIVSA-N 0 3 358.446 2.224 20 5 FEBDHN COc1ccc(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000362069099 554948193 /nfs/dbraw/zinc/94/81/93/554948193.db2.gz UNDFXRAGZJEWRA-INIZCTEOSA-N 0 3 357.410 2.472 20 5 FEBDHN CN(C)C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000362164388 554953660 /nfs/dbraw/zinc/95/36/60/554953660.db2.gz VRLPCQSZFUKXNC-HNNXBMFYSA-N 0 3 370.409 2.023 20 5 FEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000362665795 554979396 /nfs/dbraw/zinc/97/93/96/554979396.db2.gz MEYBTHAGNBSGGX-ZDUSSCGKSA-N 0 3 357.414 2.284 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1C ZINC000363079469 555025508 /nfs/dbraw/zinc/02/55/08/555025508.db2.gz ZUSIVBDWMJYAPC-AWEZNQCLSA-N 0 3 353.444 2.070 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363086985 555027282 /nfs/dbraw/zinc/02/72/82/555027282.db2.gz QKJKMNNRXWKOMO-INIZCTEOSA-N 0 3 371.441 2.279 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000363975650 555225447 /nfs/dbraw/zinc/22/54/47/555225447.db2.gz QALIYMMYXYUEPC-MRXNPFEDSA-N 0 3 367.471 2.375 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](COC(F)F)C1 ZINC000512798646 561915820 /nfs/dbraw/zinc/91/58/20/561915820.db2.gz XYQDCSUNFPUPPF-NSHDSACASA-N 0 3 373.356 2.493 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000365483740 555587695 /nfs/dbraw/zinc/58/76/95/555587695.db2.gz NLILZBVUPUZCQK-CQSZACIVSA-N 0 3 356.382 2.452 20 5 FEBDHN O=C(CCN1CCN([C@H]2CCSC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000365890585 555693513 /nfs/dbraw/zinc/69/35/13/555693513.db2.gz JLNVQENEAJAQBT-AWEZNQCLSA-N 0 3 364.471 2.047 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000366189289 555776303 /nfs/dbraw/zinc/77/63/03/555776303.db2.gz RCMPRXWHSXRPOH-LBPRGKRZSA-N 0 3 350.394 2.110 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000366218293 555784319 /nfs/dbraw/zinc/78/43/19/555784319.db2.gz KWEBSWVOWWVZEA-UHFFFAOYSA-N 0 3 373.461 2.094 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243051 561965296 /nfs/dbraw/zinc/96/52/96/561965296.db2.gz XFQCFCGKAQGXDW-KGYLQXTDSA-N 0 3 351.403 2.408 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367358344 556027126 /nfs/dbraw/zinc/02/71/26/556027126.db2.gz JQNZGUPUAFRPMC-UHFFFAOYSA-N 0 3 364.365 2.074 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367437473 556048711 /nfs/dbraw/zinc/04/87/11/556048711.db2.gz WNMUGOGPAWJRGI-KSSFIOAISA-N 0 3 360.458 2.260 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4C)C[C@@H]3C2)no1 ZINC000368212343 556250445 /nfs/dbraw/zinc/25/04/45/556250445.db2.gz MUDPLABBTFRVLA-HZPDHXFCSA-N 0 3 371.441 2.412 20 5 FEBDHN Cn1cc(CNC[C@H](CO)c2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515250269 562002457 /nfs/dbraw/zinc/00/24/57/562002457.db2.gz YANHQDKXOOHYJM-QGZVFWFLSA-N 0 3 367.409 2.256 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000368594797 556357212 /nfs/dbraw/zinc/35/72/12/556357212.db2.gz XLTBHYVPQMSGHP-BDJLRTHQSA-N 0 3 356.382 2.015 20 5 FEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000369064430 556494592 /nfs/dbraw/zinc/49/45/92/556494592.db2.gz MMNJBKDAYLANPU-LBPRGKRZSA-N 0 3 361.398 2.113 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309785 556571237 /nfs/dbraw/zinc/57/12/37/556571237.db2.gz IAUMMTAHGMKKQB-IJDCCNJMSA-N 0 3 372.469 2.094 20 5 FEBDHN COc1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000516624277 562051262 /nfs/dbraw/zinc/05/12/62/562051262.db2.gz XJWLYQJIFYWPTK-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN Cc1cc(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417987 556867201 /nfs/dbraw/zinc/86/72/01/556867201.db2.gz DRRYQNOFGPFMEX-HUUCEWRRSA-N 0 3 358.373 2.191 20 5 FEBDHN O=c1c(F)cc([N+](=O)[O-])cn1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000517370909 562087375 /nfs/dbraw/zinc/08/73/75/562087375.db2.gz NWIAZSICKFHYPJ-INIZCTEOSA-N 0 3 361.373 2.187 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000371404433 557174782 /nfs/dbraw/zinc/17/47/82/557174782.db2.gz NUUVEAPJRJHOPD-UHFFFAOYSA-N 0 3 362.430 2.373 20 5 FEBDHN CN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCCCC2 ZINC000518790715 562118587 /nfs/dbraw/zinc/11/85/87/562118587.db2.gz KXGSBWACAAYLEU-UHFFFAOYSA-N 0 3 372.469 2.434 20 5 FEBDHN COc1ccc2c(c1)[C@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372345778 557446326 /nfs/dbraw/zinc/44/63/26/557446326.db2.gz LJNYWASZDWOEJW-CQSZACIVSA-N 0 3 357.410 2.427 20 5 FEBDHN O=C(CN1CC[C@H](N2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372617462 557522287 /nfs/dbraw/zinc/52/22/87/557522287.db2.gz NDLTWDCMLRXBDQ-ZDUSSCGKSA-N 0 3 352.822 2.357 20 5 FEBDHN Cc1ccc(CN2CCC(CNC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000373163870 557642038 /nfs/dbraw/zinc/64/20/38/557642038.db2.gz CFKNRXKYNAEKOQ-UHFFFAOYSA-N 0 3 371.441 2.279 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373762819 557753661 /nfs/dbraw/zinc/75/36/61/557753661.db2.gz YKQDRCHGHLRNQO-CRAIPNDOSA-N 0 3 362.474 2.061 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000373896989 557782119 /nfs/dbraw/zinc/78/21/19/557782119.db2.gz VAFMLOVADHEAGT-LLYBFZRZSA-N 0 3 359.426 2.320 20 5 FEBDHN Cc1cc(C2=CCN(CCN3CCOC[C@H]3C)CC2)cc([N+](=O)[O-])c1N ZINC000374165622 557835312 /nfs/dbraw/zinc/83/53/12/557835312.db2.gz ZNCRXTHOXFAFNZ-OAHLLOKOSA-N 0 3 360.458 2.295 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000521862989 562185250 /nfs/dbraw/zinc/18/52/50/562185250.db2.gz ONSCHZDOCHKXME-AWEZNQCLSA-N 0 3 368.455 2.450 20 5 FEBDHN Cc1c(NC(=O)CCN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000377168169 558279976 /nfs/dbraw/zinc/27/99/76/558279976.db2.gz JPKCRNMXXGKTRW-COXVUDFISA-N 0 3 374.441 2.350 20 5 FEBDHN COc1cc(N2CCC[C@H](CN3CCN(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000378086385 558477228 /nfs/dbraw/zinc/47/72/28/558477228.db2.gz JLZPDDQYGCAQNT-CQSZACIVSA-N 0 3 366.437 2.206 20 5 FEBDHN CCc1ccc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000378364527 558539611 /nfs/dbraw/zinc/53/96/11/558539611.db2.gz CRAYHDQJEMQRKX-HNNXBMFYSA-N 0 3 374.485 2.398 20 5 FEBDHN CN1CCC2(CCCN2C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000378622218 558595631 /nfs/dbraw/zinc/59/56/31/558595631.db2.gz MYSGWAYBTLVHBC-QGZVFWFLSA-N 0 3 372.425 2.175 20 5 FEBDHN Cc1ccc(NCCCNC(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000525853114 562257433 /nfs/dbraw/zinc/25/74/33/562257433.db2.gz XXCCTNDSGMRBFL-UHFFFAOYSA-N 0 3 363.462 2.489 20 5 FEBDHN NC(=O)[C@]1(c2ccccc2)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411964373 558996337 /nfs/dbraw/zinc/99/63/37/558996337.db2.gz IODXVHYAASIOQO-LJQANCHMSA-N 0 3 355.394 2.103 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412171239 559018239 /nfs/dbraw/zinc/01/82/39/559018239.db2.gz DSXNIHYEVWSCPU-OLZOCXBDSA-N 0 3 365.405 2.370 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1N(C)C ZINC000412218618 559020603 /nfs/dbraw/zinc/02/06/03/559020603.db2.gz RXVOKCSCBGCUKI-GDBMZVCRSA-N 0 3 367.471 2.500 20 5 FEBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328559 559028165 /nfs/dbraw/zinc/02/81/65/559028165.db2.gz CCEFNYDNQWCGHU-DGCLKSJQSA-N 0 3 361.402 2.484 20 5 FEBDHN CC[C@@H](C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000413072388 559075121 /nfs/dbraw/zinc/07/51/21/559075121.db2.gz PCRNQINELGUZEZ-GJZGRUSLSA-N 0 3 365.430 2.434 20 5 FEBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000413505630 559112795 /nfs/dbraw/zinc/11/27/95/559112795.db2.gz VFNPAVNQAMPKFN-ZDUSSCGKSA-N 0 3 365.430 2.313 20 5 FEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000413942479 559142117 /nfs/dbraw/zinc/14/21/17/559142117.db2.gz WNQJVCVETOHHKC-UHFFFAOYSA-N 0 3 374.397 2.378 20 5 FEBDHN CC(C)[C@@H]1N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199042 559152656 /nfs/dbraw/zinc/15/26/56/559152656.db2.gz YSKAOPJZVPXHPV-WMZOPIPTSA-N 0 3 364.442 2.472 20 5 FEBDHN Cc1c(CS(=O)(=O)C2C[C@H]3CCCC[C@@H]3NC2=O)cccc1[N+](=O)[O-] ZINC000414421085 559162877 /nfs/dbraw/zinc/16/28/77/559162877.db2.gz XFZRNYYMSBNPBE-IVMMDQJWSA-N 0 3 366.439 2.265 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415657828 559258787 /nfs/dbraw/zinc/25/87/87/559258787.db2.gz MWEGUBAKNPELBX-MFKMUULPSA-N 0 3 352.391 2.228 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415829838 559276145 /nfs/dbraw/zinc/27/61/45/559276145.db2.gz DAEREFRTLGBFPN-OAHLLOKOSA-N 0 3 370.409 2.220 20 5 FEBDHN COc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000416333275 559306131 /nfs/dbraw/zinc/30/61/31/559306131.db2.gz KVSKZFQMUQWNRM-UHFFFAOYSA-N 0 3 374.397 2.378 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416668208 559328816 /nfs/dbraw/zinc/32/88/16/559328816.db2.gz ZSBDHAOOXPTDOF-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000420001731 559468379 /nfs/dbraw/zinc/46/83/79/559468379.db2.gz RPXOOGJSJUCKNB-AWEZNQCLSA-N 0 3 363.336 2.046 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420292287 559479100 /nfs/dbraw/zinc/47/91/00/559479100.db2.gz LQAXRGCEBKRQDZ-HZPDHXFCSA-N 0 3 360.458 2.108 20 5 FEBDHN CNC(=O)[C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000421373277 559540554 /nfs/dbraw/zinc/54/05/54/559540554.db2.gz DVAWZMPBBXKYMT-LBPRGKRZSA-N 0 3 359.382 2.431 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424037011 559652178 /nfs/dbraw/zinc/65/21/78/559652178.db2.gz IJDPDBMADNHXRJ-DZGCQCFKSA-N 0 3 359.357 2.066 20 5 FEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC(=O)N(C)C1=O ZINC000424309598 559661224 /nfs/dbraw/zinc/66/12/24/559661224.db2.gz AVDBQUDKYQFHSH-RYUDHWBXSA-N 0 3 351.428 2.203 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466533 559703690 /nfs/dbraw/zinc/70/36/90/559703690.db2.gz BEGDHFNTIPNEDS-NEPJUHHUSA-N 0 3 356.220 2.362 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CCN(C2CC2)CC1 ZINC000427938088 559765658 /nfs/dbraw/zinc/76/56/58/559765658.db2.gz NDZARAGKUNJMDP-UHFFFAOYSA-N 0 3 370.409 2.265 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999085 559787794 /nfs/dbraw/zinc/78/77/94/559787794.db2.gz RZQLDYXJVNAMAG-RVKKMQEKSA-N 0 3 360.458 2.220 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433097588 559871708 /nfs/dbraw/zinc/87/17/08/559871708.db2.gz NZHWFNBNEWJZNO-GFCCVEGCSA-N 0 3 371.397 2.455 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3CCN[C@H](C)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711017 559907228 /nfs/dbraw/zinc/90/72/28/559907228.db2.gz LBRJODUFTYQVDQ-OCCSQVGLSA-N 0 3 371.441 2.279 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000439824347 560000360 /nfs/dbraw/zinc/00/03/60/560000360.db2.gz UTCVOSMTBZSJQT-AWEZNQCLSA-N 0 3 370.331 2.450 20 5 FEBDHN CCO[C@@H]1C[C@](CO)(NCCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799707 560121131 /nfs/dbraw/zinc/12/11/31/560121131.db2.gz IHLZCTLFQUCWAD-SJLPKXTDSA-N 0 3 368.430 2.138 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000445068340 560127970 /nfs/dbraw/zinc/12/79/70/560127970.db2.gz AYCMPPYXEIJIHT-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000446238852 560142365 /nfs/dbraw/zinc/14/23/65/560142365.db2.gz VYUZIHJTBLODLE-HNNXBMFYSA-N 0 3 373.409 2.457 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000446238853 560142401 /nfs/dbraw/zinc/14/24/01/560142401.db2.gz VYUZIHJTBLODLE-OAHLLOKOSA-N 0 3 373.409 2.457 20 5 FEBDHN CN(C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cccc21 ZINC000448490843 560188183 /nfs/dbraw/zinc/18/81/83/560188183.db2.gz DTOCBJYJGBKLEX-AWEZNQCLSA-N 0 3 358.354 2.333 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156865 560218376 /nfs/dbraw/zinc/21/83/76/560218376.db2.gz TWASIULJGYGGCV-CZUORRHYSA-N 0 3 357.414 2.045 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCN2CCCO)c1 ZINC000449386023 560228379 /nfs/dbraw/zinc/22/83/79/560228379.db2.gz HENZNTADSSGFEC-AWEZNQCLSA-N 0 3 359.373 2.133 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000450811620 560274348 /nfs/dbraw/zinc/27/43/48/560274348.db2.gz ODVUICZYUHSKAF-CQSZACIVSA-N 0 3 369.425 2.047 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451499582 560310648 /nfs/dbraw/zinc/31/06/48/560310648.db2.gz MCCVPBUGMLYZTC-GTTSAUCSSA-N 0 3 351.403 2.191 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763679 560327271 /nfs/dbraw/zinc/32/72/71/560327271.db2.gz SXJGBOZAYJOHDX-HOCLYGCPSA-N 0 3 369.425 2.479 20 5 FEBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836855 560331570 /nfs/dbraw/zinc/33/15/70/560331570.db2.gz HCWHOUZCVOCXHK-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN CCO[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452056785 560348534 /nfs/dbraw/zinc/34/85/34/560348534.db2.gz VAAUDTGNVOKXTH-HZPDHXFCSA-N 0 3 356.444 2.306 20 5 FEBDHN Cc1nn(C)c(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452729503 560372458 /nfs/dbraw/zinc/37/24/58/560372458.db2.gz KKEONAZKESPNEF-UHFFFAOYSA-N 0 3 371.441 2.421 20 5 FEBDHN Cc1n[nH]c(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452735802 560372483 /nfs/dbraw/zinc/37/24/83/560372483.db2.gz XVTKWXGSATWHCL-UHFFFAOYSA-N 0 3 357.414 2.411 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273283 560384972 /nfs/dbraw/zinc/38/49/72/560384972.db2.gz VOVSCFCLZKNKDG-HOCLYGCPSA-N 0 3 351.447 2.491 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453417745 560386254 /nfs/dbraw/zinc/38/62/54/560386254.db2.gz CIJISGIQASYKGW-UHOFOFEASA-N 0 3 360.414 2.055 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454085212 560427843 /nfs/dbraw/zinc/42/78/43/560427843.db2.gz FFABOZSCUMMMFB-LBPRGKRZSA-N 0 3 368.821 2.128 20 5 FEBDHN CNc1nc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000456041713 560505298 /nfs/dbraw/zinc/50/52/98/560505298.db2.gz IOUVQBILJOHQOF-CQSZACIVSA-N 0 3 361.377 2.203 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)n1 ZINC000456703088 560529784 /nfs/dbraw/zinc/52/97/84/560529784.db2.gz WNYMLYXNOWYXIV-UHFFFAOYSA-N 0 3 351.451 2.301 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457083147 560547411 /nfs/dbraw/zinc/54/74/11/560547411.db2.gz XLRNRMVIZYYEIZ-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457109544 560549763 /nfs/dbraw/zinc/54/97/63/560549763.db2.gz HDMLSKCUYYNNCK-INIZCTEOSA-N 0 3 357.414 2.335 20 5 FEBDHN CN(CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000459504877 560690475 /nfs/dbraw/zinc/69/04/75/560690475.db2.gz HWZBMXQSBXRLJM-UHFFFAOYSA-N 0 3 373.432 2.383 20 5 FEBDHN COc1cc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000459777978 560707743 /nfs/dbraw/zinc/70/77/43/560707743.db2.gz OSMLKKMGSVOSOD-UHFFFAOYSA-N 0 3 359.426 2.373 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000467100363 560903544 /nfs/dbraw/zinc/90/35/44/560903544.db2.gz FYCQLPRIIDZBAK-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724296 560916072 /nfs/dbraw/zinc/91/60/72/560916072.db2.gz RWHCHRDSYYAAOE-PBHICJAKSA-N 0 3 372.469 2.410 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000470170322 560976018 /nfs/dbraw/zinc/97/60/18/560976018.db2.gz SEFOAJXMCXAJJD-LGMDPLHJSA-N 0 3 372.469 2.238 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000474378806 561072640 /nfs/dbraw/zinc/07/26/40/561072640.db2.gz PALJLNHXSCIKLZ-ZDUSSCGKSA-N 0 3 359.382 2.262 20 5 FEBDHN CN(C)CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000476817707 561129113 /nfs/dbraw/zinc/12/91/13/561129113.db2.gz LZICOWVWOFXHHE-UHFFFAOYSA-N 0 3 360.458 2.364 20 5 FEBDHN CS[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534827450 562543221 /nfs/dbraw/zinc/54/32/21/562543221.db2.gz LQMVHANPGMFOEJ-HZPDHXFCSA-N 0 3 366.487 2.291 20 5 FEBDHN C[C@@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162334 562586799 /nfs/dbraw/zinc/58/67/99/562586799.db2.gz VDROBVQRGMRBBA-FOIQADDNSA-N 0 3 369.421 2.409 20 5 FEBDHN COc1cc(F)cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569448521 568402770 /nfs/dbraw/zinc/40/27/70/568402770.db2.gz CXMZYUJFDHTDNO-AWEZNQCLSA-N 0 3 350.346 2.272 20 5 FEBDHN COC(=O)c1cc(C)nc(NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000557673893 674460194 /nfs/dbraw/zinc/46/01/94/674460194.db2.gz MFEVFAZLWFFNMJ-ZDUSSCGKSA-N 0 3 350.419 2.617 20 5 FEBDHN COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821813913 599452379 /nfs/dbraw/zinc/45/23/79/599452379.db2.gz PAGLJJTURIOQPU-UHFFFAOYSA-N 0 3 354.370 2.116 20 5 FEBDHN COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821813913 599452380 /nfs/dbraw/zinc/45/23/80/599452380.db2.gz PAGLJJTURIOQPU-UHFFFAOYSA-N 0 3 354.370 2.116 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629593 607472405 /nfs/dbraw/zinc/47/24/05/607472405.db2.gz BEHORQWAKYRJBQ-DZGCQCFKSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823629593 607472408 /nfs/dbraw/zinc/47/24/08/607472408.db2.gz BEHORQWAKYRJBQ-DZGCQCFKSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629593 607472409 /nfs/dbraw/zinc/47/24/09/607472409.db2.gz BEHORQWAKYRJBQ-DZGCQCFKSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823629593 607472411 /nfs/dbraw/zinc/47/24/11/607472411.db2.gz BEHORQWAKYRJBQ-DZGCQCFKSA-N 0 3 369.429 2.228 20 5 FEBDHN Cc1occc1C(=O)Nc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813103258 674719653 /nfs/dbraw/zinc/71/96/53/674719653.db2.gz ZIMBOHWACJKYAW-QMMMGPOBSA-N 0 3 353.356 2.048 20 5 FEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[N+](=O)[O-] ZINC000813105253 674719878 /nfs/dbraw/zinc/71/98/78/674719878.db2.gz LEWWBSPFRJVHFG-NXEZZACHSA-N 0 3 371.187 2.010 20 5 FEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000813105498 674720055 /nfs/dbraw/zinc/72/00/55/674720055.db2.gz NFZKIZORFOMDEF-LURJTMIESA-N 0 3 350.230 2.027 20 5 FEBDHN CC(COC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[N+](=O)[O-] ZINC000813106646 674720505 /nfs/dbraw/zinc/72/05/05/674720505.db2.gz FYRLDWFEIFYLMS-VIFPVBQESA-N 0 3 367.358 2.285 20 5 FEBDHN CC(COC(=O)c1ccccc1SCC(=O)N1CCCC1)[N+](=O)[O-] ZINC000813113935 674720949 /nfs/dbraw/zinc/72/09/49/674720949.db2.gz WPNJXMSSWMQCKR-LBPRGKRZSA-N 0 3 352.412 2.223 20 5 FEBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CCN(C)CC1 ZINC000813291203 674734083 /nfs/dbraw/zinc/73/40/83/674734083.db2.gz DNAUUDOCNRHICY-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1F ZINC000092993559 670746835 /nfs/dbraw/zinc/74/68/35/670746835.db2.gz YMYZQIAZQFOJAM-LBPRGKRZSA-N 0 3 359.423 2.005 20 5 FEBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000572939741 671062259 /nfs/dbraw/zinc/06/22/59/671062259.db2.gz BHOODURIASWDJC-UHFFFAOYSA-N 0 3 361.368 2.448 20 5 FEBDHN COCCN(CCN(C)C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609189061 675913392 /nfs/dbraw/zinc/91/33/92/675913392.db2.gz JFQGDWJSSGEHGK-ZDUSSCGKSA-N 0 3 355.460 2.112 20 5 FEBDHN CCc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000578009289 671634210 /nfs/dbraw/zinc/63/42/10/671634210.db2.gz NWDMYPIZXWJZKB-CABCVRRESA-N 0 3 353.444 2.062 20 5 FEBDHN CCc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000578189916 671647693 /nfs/dbraw/zinc/64/76/93/671647693.db2.gz ICWGYPWQKIFFRJ-UHFFFAOYSA-N 0 3 367.471 2.310 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000578707656 671684070 /nfs/dbraw/zinc/68/40/70/671684070.db2.gz TYELMKURALBCDZ-GFCCVEGCSA-N 0 3 351.403 2.074 20 5 FEBDHN C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261711 675962200 /nfs/dbraw/zinc/96/22/00/675962200.db2.gz ZJOZYAZKSCJUOO-CHWSQXEVSA-N 0 3 370.475 2.025 20 5 FEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000590371040 672575137 /nfs/dbraw/zinc/57/51/37/672575137.db2.gz DWRIYBCGCQIVNV-CYBMUJFWSA-N 0 3 367.471 2.282 20 5 FEBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565850 672590321 /nfs/dbraw/zinc/59/03/21/672590321.db2.gz RLHLYXCWGVHNLM-ZFWWWQNUSA-N 0 3 353.806 2.183 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590589141 672593195 /nfs/dbraw/zinc/59/31/95/672593195.db2.gz MDOYPANPZNEPBM-ZWNOBZJWSA-N 0 3 361.851 2.270 20 5 FEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513843 676041901 /nfs/dbraw/zinc/04/19/01/676041901.db2.gz MXOWODYPZLWHJG-NSHDSACASA-N 0 3 355.341 2.410 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1C ZINC000193907945 672740678 /nfs/dbraw/zinc/74/06/78/672740678.db2.gz KFXJBKNAJBELFB-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000194975870 672772800 /nfs/dbraw/zinc/77/28/00/672772800.db2.gz QLHUDPWOFVJBLK-UHFFFAOYSA-N 0 3 356.810 2.481 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCCC[C@H]2C(=O)OC)c1 ZINC000593030062 672865737 /nfs/dbraw/zinc/86/57/37/672865737.db2.gz JNTHKXMHNATVMT-KGLIPLIRSA-N 0 3 350.371 2.203 20 5 FEBDHN CC(C)(C)[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789657 673142932 /nfs/dbraw/zinc/14/29/32/673142932.db2.gz JLZWHIJASOWPEY-NSHDSACASA-N 0 3 359.423 2.133 20 5 FEBDHN CC(C)(C)[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789657 673142934 /nfs/dbraw/zinc/14/29/34/673142934.db2.gz JLZWHIJASOWPEY-NSHDSACASA-N 0 3 359.423 2.133 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000594854674 673165514 /nfs/dbraw/zinc/16/55/14/673165514.db2.gz VGFVTSOXPWAHLQ-ZDUSSCGKSA-N 0 3 353.444 2.280 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733159662 673400949 /nfs/dbraw/zinc/40/09/49/673400949.db2.gz WBNTYYNLVSIFCF-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CC(C)c1ccc(CN(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000597206774 673456735 /nfs/dbraw/zinc/45/67/35/673456735.db2.gz VQEZPLQRVDJYQI-UHFFFAOYSA-N 0 3 350.463 2.170 20 5 FEBDHN CCCN1CC[C@H](NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000598343059 673561320 /nfs/dbraw/zinc/56/13/20/673561320.db2.gz PZWZYDQDKCWVPM-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000542750937 673601918 /nfs/dbraw/zinc/60/19/18/673601918.db2.gz PUAKFKXIECOEJO-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375553 673851173 /nfs/dbraw/zinc/85/11/73/673851173.db2.gz XPJRTNURKPBGLM-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccsc2C(F)(F)F)c1 ZINC000601967028 673900554 /nfs/dbraw/zinc/90/05/54/673900554.db2.gz HLWMNXXFFQLYQE-SNVBAGLBSA-N 0 3 350.322 2.022 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926738 673913909 /nfs/dbraw/zinc/91/39/09/673913909.db2.gz WUTJTRBSDQFMKS-ZDUSSCGKSA-N 0 3 358.320 2.442 20 5 FEBDHN C[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587956 675304439 /nfs/dbraw/zinc/30/44/39/675304439.db2.gz DKYDAFWEIMBHGK-KCJUWKMLSA-N 0 3 362.167 2.466 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000821051336 675409557 /nfs/dbraw/zinc/40/95/57/675409557.db2.gz AODNBYNCSWHYKQ-ZDUSSCGKSA-N 0 3 369.849 2.144 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000752234501 680231244 /nfs/dbraw/zinc/23/12/44/680231244.db2.gz IJLISLBOKIKLHE-STQMWFEESA-N 0 3 373.862 2.462 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599891 680487912 /nfs/dbraw/zinc/48/79/12/680487912.db2.gz NXCDEPPRRCFAMF-NSHDSACASA-N 0 3 356.810 2.217 20 5 FEBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842914783 680975239 /nfs/dbraw/zinc/97/52/39/680975239.db2.gz HHBNJCKQXINVFT-UHFFFAOYSA-N 0 3 369.365 2.411 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCOC23CCCCC3)cc1 ZINC000926152005 683083318 /nfs/dbraw/zinc/08/33/18/683083318.db2.gz ZCXNNAJCHKIUJC-INIZCTEOSA-N 0 3 368.455 2.450 20 5 FEBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347727 683394831 /nfs/dbraw/zinc/39/48/31/683394831.db2.gz LLBCLLOYGWXQHN-PLQHRBFRSA-N 0 3 354.378 2.490 20 5 FEBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928440926 683451630 /nfs/dbraw/zinc/45/16/30/683451630.db2.gz ODASTVMLOFCCSM-ZANVPECISA-N 0 3 356.220 2.109 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)C23CCOCC3)ccc1Br ZINC000923024015 683822091 /nfs/dbraw/zinc/82/20/91/683822091.db2.gz NKEGIUYWUJQFGV-UONOGXRCSA-N 0 3 371.231 2.377 20 5 FEBDHN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCCN(C2CC2)C1=O ZINC000924056657 684397504 /nfs/dbraw/zinc/39/75/04/684397504.db2.gz XQPJKSUACOPKBS-NSHDSACASA-N 0 3 354.309 2.317 20 5 FEBDHN COc1cc(I)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377276 684713411 /nfs/dbraw/zinc/71/34/11/684713411.db2.gz PMTBKNIIYADHLO-SSDOTTSWSA-N 0 3 365.123 2.122 20 5 FEBDHN COCCO[C@H]1C[C@H](CO)CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481811 686387561 /nfs/dbraw/zinc/38/75/61/686387561.db2.gz SXRAFDXKZMTDTP-HOTGVXAUSA-N 0 3 352.431 2.057 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000878682918 686634044 /nfs/dbraw/zinc/63/40/44/686634044.db2.gz QLVDIRHYAPEEQB-CABCVRRESA-N 0 3 350.419 2.107 20 5 FEBDHN COCCN1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287070 688577750 /nfs/dbraw/zinc/57/77/50/688577750.db2.gz UBPISWVGJSIBFI-LLVKDONJSA-N 0 3 356.810 2.399 20 5 FEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135212 689302007 /nfs/dbraw/zinc/30/20/07/689302007.db2.gz NQBDDTISBBFVAB-LRDDRELGSA-N 0 3 354.428 2.453 20 5 FEBDHN CO[C@@H](CNCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000895611163 689744032 /nfs/dbraw/zinc/74/40/32/689744032.db2.gz SAUODJNHIRLUBL-RISCZKNCSA-N 0 3 359.220 2.498 20 5 FEBDHN COC(=O)COc1ccc(CN2C[C@@H]3CSC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000898422924 690180119 /nfs/dbraw/zinc/18/01/19/690180119.db2.gz NWZQIHPINKQZGW-DYVFJYSZSA-N 0 3 366.439 2.332 20 5 FEBDHN O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC000899600832 690385450 /nfs/dbraw/zinc/38/54/50/690385450.db2.gz CFVVLVYEBGQYJR-OAHLLOKOSA-N 0 3 350.444 2.135 20 5 FEBDHN COc1cc([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140994 690850648 /nfs/dbraw/zinc/85/06/48/690850648.db2.gz JNRHBJQJPAKMKI-BLLLJJGKSA-N 0 3 352.387 2.176 20 5 FEBDHN CC1(C)CO[C@H](CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905480105 691124216 /nfs/dbraw/zinc/12/42/16/691124216.db2.gz VZDIPRUSTCZEOX-CQSZACIVSA-N 0 3 356.444 2.163 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908441802 691679376 /nfs/dbraw/zinc/67/93/76/691679376.db2.gz DLAYYDSUKVHDIW-UHFFFAOYSA-N 0 3 355.757 2.398 20 5 FEBDHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000800309760 674040466 /nfs/dbraw/zinc/04/04/66/674040466.db2.gz RMCLIMNGNUTEEA-YGRLFVJLSA-N 0 3 361.851 2.056 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000012141360 539545707 /nfs/dbraw/zinc/54/57/07/539545707.db2.gz FDAWYIFHCAFFSL-UHFFFAOYSA-N 0 3 359.448 2.001 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(NC(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000030285100 539877265 /nfs/dbraw/zinc/87/72/65/539877265.db2.gz UHRWYAOPSAZNBZ-UHFFFAOYSA-N 0 3 374.441 2.222 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000033093499 539967000 /nfs/dbraw/zinc/96/70/00/539967000.db2.gz JCGZYFWONAVMSA-GFCCVEGCSA-N 0 3 359.430 2.136 20 5 FEBDHN CN(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000052795263 540489382 /nfs/dbraw/zinc/48/93/82/540489382.db2.gz CXUXJRMGTLUJJW-UHFFFAOYSA-N 0 3 363.439 2.395 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)c(Cl)c1 ZINC000056091107 540701725 /nfs/dbraw/zinc/70/17/25/540701725.db2.gz XIXMMSOTPAARMF-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000060318551 540871022 /nfs/dbraw/zinc/87/10/22/540871022.db2.gz RHMLPVISPVYVOA-QGZVFWFLSA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000062120949 541145279 /nfs/dbraw/zinc/14/52/79/541145279.db2.gz RVGUJJVWMJRMLO-OCCSQVGLSA-N 0 3 362.430 2.078 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000063595667 541174871 /nfs/dbraw/zinc/17/48/71/541174871.db2.gz CUMCBNLWKBFPIT-OAHLLOKOSA-N 0 3 355.398 2.193 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000065674860 541252168 /nfs/dbraw/zinc/25/21/68/541252168.db2.gz ZDRMXGGLAYCDLY-STQMWFEESA-N 0 3 363.414 2.216 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000066611771 541345991 /nfs/dbraw/zinc/34/59/91/541345991.db2.gz PRYPMRLBDLOVLH-UHFFFAOYSA-N 0 3 371.393 2.358 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H](C)C1 ZINC000066614312 541347083 /nfs/dbraw/zinc/34/70/83/541347083.db2.gz NZTYZPMOXMLUQV-STQMWFEESA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1c(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067536957 541476457 /nfs/dbraw/zinc/47/64/57/541476457.db2.gz OJDPVQQPJLRECN-CQSZACIVSA-N 0 3 350.419 2.118 20 5 FEBDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000068576358 541611646 /nfs/dbraw/zinc/61/16/46/541611646.db2.gz XESSUUWQPDCTJD-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN COc1cc(OCC(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000069125843 541661672 /nfs/dbraw/zinc/66/16/72/541661672.db2.gz KNWTXGBIKNUAPT-UHFFFAOYSA-N 0 3 373.409 2.360 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000075716838 542200780 /nfs/dbraw/zinc/20/07/80/542200780.db2.gz FOKQFDQJJKEANI-HNNXBMFYSA-N 0 3 366.368 2.310 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000076639275 542303437 /nfs/dbraw/zinc/30/34/37/542303437.db2.gz NGMRLAFYGLMGEX-HNNXBMFYSA-N 0 3 374.441 2.222 20 5 FEBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078506415 542464679 /nfs/dbraw/zinc/46/46/79/542464679.db2.gz LZXIRPLYDPHUMH-MRXNPFEDSA-N 0 3 354.410 2.404 20 5 FEBDHN COC(=O)c1cc(NC2CCN([C@@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000089603241 542766210 /nfs/dbraw/zinc/76/62/10/542766210.db2.gz OFTARPAEVOGZMO-OAHLLOKOSA-N 0 3 363.414 2.355 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000093019928 542902625 /nfs/dbraw/zinc/90/26/25/542902625.db2.gz WTCJZBAIHSMYPP-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN CCN(CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000101956972 543052010 /nfs/dbraw/zinc/05/20/10/543052010.db2.gz MNAIRSKYJQIYSD-UHFFFAOYSA-N 0 3 357.414 2.209 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103451721 543108332 /nfs/dbraw/zinc/10/83/32/543108332.db2.gz KEVXRHOWYVBNJE-UHFFFAOYSA-N 0 3 357.414 2.194 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110347762 543355969 /nfs/dbraw/zinc/35/59/69/543355969.db2.gz UWQKUFOUIXNSCX-CQSZACIVSA-N 0 3 373.457 2.435 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115586389 543576114 /nfs/dbraw/zinc/57/61/14/543576114.db2.gz CXYMERHBWXCNEB-NSHDSACASA-N 0 3 361.851 2.211 20 5 FEBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716487 543779308 /nfs/dbraw/zinc/77/93/08/543779308.db2.gz WNOGLJFNWWAWGF-RDJZCZTQSA-N 0 3 374.441 2.023 20 5 FEBDHN C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000124935065 543851482 /nfs/dbraw/zinc/85/14/82/543851482.db2.gz YEVFPEKCILKMNC-XHDPSFHLSA-N 0 3 354.370 2.391 20 5 FEBDHN Cc1c(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000126729108 543953486 /nfs/dbraw/zinc/95/34/86/543953486.db2.gz GPXFAJFPBXISEI-OAHLLOKOSA-N 0 3 373.409 2.457 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000126770263 543955586 /nfs/dbraw/zinc/95/55/86/543955586.db2.gz GCUPHNJVPQLNEO-MRXNPFEDSA-N 0 3 373.409 2.077 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000127912142 544021361 /nfs/dbraw/zinc/02/13/61/544021361.db2.gz ZHQZNNQANRSXMI-UHFFFAOYSA-N 0 3 373.413 2.445 20 5 FEBDHN COC(=O)[C@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000131712781 544203109 /nfs/dbraw/zinc/20/31/09/544203109.db2.gz RRAJEAJOGISRTD-OAHLLOKOSA-N 0 3 373.409 2.068 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC000132180101 544221873 /nfs/dbraw/zinc/22/18/73/544221873.db2.gz CENORJOSFGSXPX-UHFFFAOYSA-N 0 3 354.370 2.153 20 5 FEBDHN Cn1ccnc1[C@H](O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000136220118 544369424 /nfs/dbraw/zinc/36/94/24/544369424.db2.gz XHMYZPSPQPSRCR-QGZVFWFLSA-N 0 3 360.414 2.153 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3ccncc32)c1C ZINC000152368019 544644315 /nfs/dbraw/zinc/64/43/15/544644315.db2.gz GWHHHRUZMYRODK-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152709243 544686384 /nfs/dbraw/zinc/68/63/84/544686384.db2.gz WOCDLBNMJFPINI-RBSFLKMASA-N 0 3 369.487 2.381 20 5 FEBDHN CN1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000153193750 544745709 /nfs/dbraw/zinc/74/57/09/544745709.db2.gz IHMVPEHADUSVNT-LLVKDONJSA-N 0 3 370.247 2.358 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000182254281 327768050 /nfs/dbraw/zinc/76/80/50/327768050.db2.gz ITLOBADHPNZQRG-QGZVFWFLSA-N 0 3 363.458 2.285 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnn(C)c1C ZINC000183311219 327811587 /nfs/dbraw/zinc/81/15/87/327811587.db2.gz JWBPVYOPJWKEOF-LLVKDONJSA-N 0 3 361.402 2.325 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804357973 674281947 /nfs/dbraw/zinc/28/19/47/674281947.db2.gz SHVSZNRSLYZTAK-ZDUSSCGKSA-N 0 3 351.407 2.189 20 5 FEBDHN CC(C)C[C@@]1(CO)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191654554 328276189 /nfs/dbraw/zinc/27/61/89/328276189.db2.gz JLZDOHRERADZLF-LJQANCHMSA-N 0 3 361.442 2.357 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCC2)c1 ZINC000193322020 328368713 /nfs/dbraw/zinc/36/87/13/328368713.db2.gz GEIYUOHKAIBEJO-LLVKDONJSA-N 0 3 361.851 2.352 20 5 FEBDHN O=C1NC(=O)[C@]2(CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)N1 ZINC000193470910 328377273 /nfs/dbraw/zinc/37/72/73/328377273.db2.gz VRNNFZPUVNXBCP-GOSISDBHSA-N 0 3 370.365 2.029 20 5 FEBDHN COc1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193918895 328401994 /nfs/dbraw/zinc/40/19/94/328401994.db2.gz QFCGKZUUXZDERT-UHFFFAOYSA-N 0 3 371.459 2.145 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000041427949 324508032 /nfs/dbraw/zinc/50/80/32/324508032.db2.gz BUKCOFDFSCBQNR-CQSZACIVSA-N 0 3 351.432 2.052 20 5 FEBDHN CCOc1ccc([C@H](C)NCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090183089 325356337 /nfs/dbraw/zinc/35/63/37/325356337.db2.gz OGRFWHIVPPIDGF-LBPRGKRZSA-N 0 3 356.444 2.469 20 5 FEBDHN CCOc1cc(C(=O)N(C)CC2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000103452914 325518399 /nfs/dbraw/zinc/51/83/99/325518399.db2.gz GHTXVEIKLSAKEL-UHFFFAOYSA-N 0 3 365.430 2.416 20 5 FEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000116067812 325990625 /nfs/dbraw/zinc/99/06/25/325990625.db2.gz JWNYQATYJDDPNZ-AWEZNQCLSA-N 0 3 357.414 2.133 20 5 FEBDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167316 326236951 /nfs/dbraw/zinc/23/69/51/326236951.db2.gz JUWQRGRUOHBSGA-GFCCVEGCSA-N 0 3 361.489 2.303 20 5 FEBDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167316 326236956 /nfs/dbraw/zinc/23/69/56/326236956.db2.gz JUWQRGRUOHBSGA-GFCCVEGCSA-N 0 3 361.489 2.303 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1C ZINC000120642731 326275361 /nfs/dbraw/zinc/27/53/61/326275361.db2.gz CVHNZUROXVVFND-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(C)(C)C[NH+](C)C)c1C ZINC000121383008 326334676 /nfs/dbraw/zinc/33/46/76/326334676.db2.gz PHILKHPACSLICW-CYBMUJFWSA-N 0 3 357.476 2.466 20 5 FEBDHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896936 326565237 /nfs/dbraw/zinc/56/52/37/326565237.db2.gz DAOPBLHJERRXME-CDMKHQONSA-N 0 3 368.821 2.209 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150801392 326668266 /nfs/dbraw/zinc/66/82/66/326668266.db2.gz VTOOVHYPMIUVKG-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162662247 327031250 /nfs/dbraw/zinc/03/12/50/327031250.db2.gz NLXNDKFWFJPQLH-UHFFFAOYSA-N 0 3 369.365 2.234 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164232359 327067004 /nfs/dbraw/zinc/06/70/04/327067004.db2.gz VABKQZMTMSFPDJ-TZMCWYRMSA-N 0 3 362.386 2.368 20 5 FEBDHN Cc1ccc([C@@H](C)NCCN2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000164260266 327067339 /nfs/dbraw/zinc/06/73/39/327067339.db2.gz MMPMLRWEPGUHEY-MRXNPFEDSA-N 0 3 370.457 2.166 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)c1 ZINC000164798041 327074487 /nfs/dbraw/zinc/07/44/87/327074487.db2.gz ATYMHGVUFNIEEP-HNNXBMFYSA-N 0 3 373.409 2.457 20 5 FEBDHN Cc1c(C(=O)N(C)C2CCN(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171535049 327144701 /nfs/dbraw/zinc/14/47/01/327144701.db2.gz BIFRCUZNPPXSRO-UHFFFAOYSA-N 0 3 350.375 2.286 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172667451 327214061 /nfs/dbraw/zinc/21/40/61/327214061.db2.gz IPSPZBXDHKCVMY-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN CN(C)Cc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173686804 327277030 /nfs/dbraw/zinc/27/70/30/327277030.db2.gz QPPBKSYLONIYLE-INIZCTEOSA-N 0 3 369.425 2.378 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173829670 327287204 /nfs/dbraw/zinc/28/72/04/327287204.db2.gz PAKPJOBDPZFBIK-DZGCQCFKSA-N 0 3 353.444 2.151 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000173991379 327300108 /nfs/dbraw/zinc/30/01/08/327300108.db2.gz SWZWARHZFCHOMI-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000174184709 327311233 /nfs/dbraw/zinc/31/12/33/327311233.db2.gz NAUDTCAKHPEGBD-OCCSQVGLSA-N 0 3 350.419 2.228 20 5 FEBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727992 327346497 /nfs/dbraw/zinc/34/64/97/327346497.db2.gz ZXKHPZDSDSFNAE-TZMCWYRMSA-N 0 3 370.356 2.495 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H](Cc2ccccc2)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000263824002 328965898 /nfs/dbraw/zinc/96/58/98/328965898.db2.gz RDCXOMILRQSWNP-QGZVFWFLSA-N 0 3 373.457 2.087 20 5 FEBDHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875058 329069836 /nfs/dbraw/zinc/06/98/36/329069836.db2.gz PPSPXIYMBCGXAB-MNOVXSKESA-N 0 3 351.794 2.450 20 5 FEBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267037920 329285617 /nfs/dbraw/zinc/28/56/17/329285617.db2.gz VDQSAOSKNYNLHN-ZDUSSCGKSA-N 0 3 351.403 2.168 20 5 FEBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267269851 329308833 /nfs/dbraw/zinc/30/88/33/329308833.db2.gz RZZYXWYPFJWZPN-UHFFFAOYSA-N 0 3 359.224 2.275 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CCN(CCOc3ccc(F)cc3)CC2)nc1 ZINC000273956856 329905361 /nfs/dbraw/zinc/90/53/61/329905361.db2.gz NNNZWVSOHJIRJT-UHFFFAOYSA-N 0 3 361.377 2.479 20 5 FEBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000275225492 330023819 /nfs/dbraw/zinc/02/38/19/330023819.db2.gz CMCJSRXAJMZDBQ-KSSFIOAISA-N 0 3 360.414 2.444 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000367234206 330233962 /nfs/dbraw/zinc/23/39/62/330233962.db2.gz LFLACMVGOXSTJE-CQSZACIVSA-N 0 3 370.409 2.126 20 5 FEBDHN Cc1ccc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000371467166 330245797 /nfs/dbraw/zinc/24/57/97/330245797.db2.gz WPEQUHNKTFDVMC-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000411374414 330255120 /nfs/dbraw/zinc/25/51/20/330255120.db2.gz CFWMOMOHJLLRKS-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN Cn1c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)ccc1[N+](=O)[O-] ZINC000477746796 561152443 /nfs/dbraw/zinc/15/24/43/561152443.db2.gz TWYCMZRLVALPKM-UHFFFAOYSA-N 0 3 372.425 2.390 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1C ZINC000158422864 545860072 /nfs/dbraw/zinc/86/00/72/545860072.db2.gz LEVCSZOABGJFSX-UONOGXRCSA-N 0 3 357.414 2.335 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183420 546417483 /nfs/dbraw/zinc/41/74/83/546417483.db2.gz DUUBKWQFYHCVPG-GDBMZVCRSA-N 0 3 364.446 2.374 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000480755734 561216032 /nfs/dbraw/zinc/21/60/32/561216032.db2.gz HUQCZYBQRLTUOK-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217278 546572531 /nfs/dbraw/zinc/57/25/31/546572531.db2.gz XPSXTWCAXCLLHS-BXKDBHETSA-N 0 3 362.386 2.475 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177349212 546599297 /nfs/dbraw/zinc/59/92/97/546599297.db2.gz CWSRXBZHISIRJY-WBVHZDCISA-N 0 3 358.442 2.043 20 5 FEBDHN O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCCCC2)c(Br)c1 ZINC000177543965 546641803 /nfs/dbraw/zinc/64/18/03/546641803.db2.gz CZOPHKFPBGIPFE-NSHDSACASA-N 0 3 359.224 2.011 20 5 FEBDHN C[C@@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180416042 547105955 /nfs/dbraw/zinc/10/59/55/547105955.db2.gz TXBQZVDAMANKNZ-SJKOYZFVSA-N 0 3 364.423 2.383 20 5 FEBDHN Cn1ccnc1C[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292813 547468794 /nfs/dbraw/zinc/46/87/94/547468794.db2.gz QTCIURUHDLSIER-CVEARBPZSA-N 0 3 374.441 2.023 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183770024 547717172 /nfs/dbraw/zinc/71/71/72/547717172.db2.gz FWYMMMZQDAZGSC-GOSISDBHSA-N 0 3 370.453 2.353 20 5 FEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184132850 547774261 /nfs/dbraw/zinc/77/42/61/547774261.db2.gz YCVOMIXCASILCT-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN CSc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184325307 547808548 /nfs/dbraw/zinc/80/85/48/547808548.db2.gz OSFIVRPNIUCAMP-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650023 547860960 /nfs/dbraw/zinc/86/09/60/547860960.db2.gz XHNFFWSUPRXJIQ-CQSZACIVSA-N 0 3 370.837 2.158 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000185704894 548022146 /nfs/dbraw/zinc/02/21/46/548022146.db2.gz GFUWFCZIFIJTDY-UHFFFAOYSA-N 0 3 361.402 2.381 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Cn2cncn2)CC1 ZINC000186239663 548105288 /nfs/dbraw/zinc/10/52/88/548105288.db2.gz JMGDMJWZEDMHCL-UHFFFAOYSA-N 0 3 372.429 2.236 20 5 FEBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195608416 548654479 /nfs/dbraw/zinc/65/44/79/548654479.db2.gz RPGQRYUEMUPPFH-ZDUSSCGKSA-N 0 3 355.460 2.384 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246008335 549035469 /nfs/dbraw/zinc/03/54/69/549035469.db2.gz HQEVWEKIZTWOQC-JDFRZJQESA-N 0 3 365.430 2.280 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1C ZINC000246256106 549090443 /nfs/dbraw/zinc/09/04/43/549090443.db2.gz SZJZWHPYXWRDBP-ZIAGYGMSSA-N 0 3 355.460 2.172 20 5 FEBDHN CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000248450840 549441148 /nfs/dbraw/zinc/44/11/48/549441148.db2.gz IVXCNSZTVXPZSQ-MRXNPFEDSA-N 0 3 363.458 2.285 20 5 FEBDHN O=C(CCN1CCS[C@@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248571814 549460844 /nfs/dbraw/zinc/46/08/44/549460844.db2.gz MIDCTNGZUAXHMG-HUUCEWRRSA-N 0 3 369.418 2.269 20 5 FEBDHN COc1cc(OCC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000250150566 549638505 /nfs/dbraw/zinc/63/85/05/549638505.db2.gz WWCBLXYEEOCTCZ-KBPBESRZSA-N 0 3 365.430 2.219 20 5 FEBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262224212 549799822 /nfs/dbraw/zinc/79/98/22/549799822.db2.gz NAVCFYYOTVQGKQ-UHFFFAOYSA-N 0 3 361.789 2.305 20 5 FEBDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000490437271 561433066 /nfs/dbraw/zinc/43/30/66/561433066.db2.gz IBVYQAPBCVSIAN-AWEZNQCLSA-N 0 3 367.471 2.231 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000269124727 550158255 /nfs/dbraw/zinc/15/82/55/550158255.db2.gz WQDOUARFIWYPJZ-JSGCOSHPSA-N 0 3 363.414 2.168 20 5 FEBDHN COc1cc(CNCCc2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272479089 550451620 /nfs/dbraw/zinc/45/16/20/550451620.db2.gz SOVXDKJANZDPGA-UHFFFAOYSA-N 0 3 370.356 2.313 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273402792 550497276 /nfs/dbraw/zinc/49/72/76/550497276.db2.gz PGZLXYINFZJWFB-LZWOXQAQSA-N 0 3 352.431 2.063 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273402789 550497402 /nfs/dbraw/zinc/49/74/02/550497402.db2.gz PGZLXYINFZJWFB-IIAWOOMASA-N 0 3 352.431 2.063 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1F ZINC000273550781 550502675 /nfs/dbraw/zinc/50/26/75/550502675.db2.gz VWFQEPLSQVUPGM-LBPRGKRZSA-N 0 3 373.450 2.393 20 5 FEBDHN CC(C)[C@@H](CO)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000274272027 550530736 /nfs/dbraw/zinc/53/07/36/550530736.db2.gz BDUUFCOTIBMRQT-CYBMUJFWSA-N 0 3 364.427 2.263 20 5 FEBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275917706 550575161 /nfs/dbraw/zinc/57/51/61/550575161.db2.gz FTLHONYANFFVCF-FQEVSTJZSA-N 0 3 353.422 2.136 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000276921329 550611335 /nfs/dbraw/zinc/61/13/35/550611335.db2.gz YUALKWSHLXZRNA-UKRRQHHQSA-N 0 3 353.444 2.029 20 5 FEBDHN CCNC(=O)C1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000277056081 550626694 /nfs/dbraw/zinc/62/66/94/550626694.db2.gz BDKWCQZGYWAYBJ-UHFFFAOYSA-N 0 3 351.403 2.008 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277805750 550716192 /nfs/dbraw/zinc/71/61/92/550716192.db2.gz PPRBAOUDJVQBQI-UHFFFAOYSA-N 0 3 371.437 2.074 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277955733 550732807 /nfs/dbraw/zinc/73/28/07/550732807.db2.gz TTWFQMHGFWNCKK-GFCCVEGCSA-N 0 3 360.418 2.002 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278808193 550824349 /nfs/dbraw/zinc/82/43/49/550824349.db2.gz OHANMGBMJWEALD-GFCCVEGCSA-N 0 3 350.375 2.193 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510491 550898281 /nfs/dbraw/zinc/89/82/81/550898281.db2.gz UHFULMJGAREVSF-RISCZKNCSA-N 0 3 352.410 2.212 20 5 FEBDHN CS[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1N(C)C ZINC000495657240 561490038 /nfs/dbraw/zinc/49/00/38/561490038.db2.gz SSVBEMVFRBSPCM-HOTGVXAUSA-N 0 3 362.455 2.054 20 5 FEBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000498018563 561513928 /nfs/dbraw/zinc/51/39/28/561513928.db2.gz GPSBYKQYKQVAHE-DOTOQJQBSA-N 0 3 371.441 2.475 20 5 FEBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000498373917 561523613 /nfs/dbraw/zinc/52/36/13/561523613.db2.gz LROWPTMGPODIBL-WDEREUQCSA-N 0 3 373.356 2.209 20 5 FEBDHN CN1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000284836814 551647115 /nfs/dbraw/zinc/64/71/15/551647115.db2.gz NFCODTQVTLHHQM-DLBZAZTESA-N 0 3 358.398 2.155 20 5 FEBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000285369513 551745018 /nfs/dbraw/zinc/74/50/18/551745018.db2.gz FTUTXDYHGRMVHT-AWEZNQCLSA-N 0 3 369.219 2.051 20 5 FEBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285685366 551795166 /nfs/dbraw/zinc/79/51/66/551795166.db2.gz BPYCPLOEMBVDHT-UHFFFAOYSA-N 0 3 358.402 2.092 20 5 FEBDHN COC(=O)c1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000285875806 551822225 /nfs/dbraw/zinc/82/22/25/551822225.db2.gz QOIGIPQOJQAVAZ-MLGOLLRUSA-N 0 3 361.398 2.080 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000286238768 551864337 /nfs/dbraw/zinc/86/43/37/551864337.db2.gz DKQTVDVWJUNURW-GJZGRUSLSA-N 0 3 372.425 2.401 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982325 552070686 /nfs/dbraw/zinc/07/06/86/552070686.db2.gz APHCXOAFHHURLN-GDBMZVCRSA-N 0 3 369.425 2.479 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288428518 552151732 /nfs/dbraw/zinc/15/17/32/552151732.db2.gz KKFOYNOYUURJGQ-UHFFFAOYSA-N 0 3 374.445 2.489 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532946 552170448 /nfs/dbraw/zinc/17/04/48/552170448.db2.gz URJIACKHZBDKCK-KDOFPFPSSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532945 552170460 /nfs/dbraw/zinc/17/04/60/552170460.db2.gz URJIACKHZBDKCK-KBXCAEBGSA-N 0 3 369.425 2.479 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290175289 552438546 /nfs/dbraw/zinc/43/85/46/552438546.db2.gz QDSPOUXLCPRGEE-IBGZPJMESA-N 0 3 369.421 2.440 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000500766663 561581691 /nfs/dbraw/zinc/58/16/91/561581691.db2.gz HMSIUKXBTOWRHK-UHFFFAOYSA-N 0 3 372.425 2.349 20 5 FEBDHN C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000290539502 552495089 /nfs/dbraw/zinc/49/50/89/552495089.db2.gz DYRYQYCZHSHPBG-TZMCWYRMSA-N 0 3 355.398 2.164 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000294392689 552902614 /nfs/dbraw/zinc/90/26/14/552902614.db2.gz JXYPQCCCBFXMSS-SWLSCSKDSA-N 0 3 364.421 2.356 20 5 FEBDHN COC(=O)/C=C/c1ccc(N[C@H]2CCCN(CCCO)C2)c([N+](=O)[O-])c1 ZINC000294877294 552940734 /nfs/dbraw/zinc/94/07/34/552940734.db2.gz DTQJMTUKHQZTQW-VFADXPBXSA-N 0 3 363.414 2.040 20 5 FEBDHN Cc1nn([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000295380255 552996477 /nfs/dbraw/zinc/99/64/77/552996477.db2.gz QCMXKANPWORSPM-OAHLLOKOSA-N 0 3 371.441 2.442 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146823 553112488 /nfs/dbraw/zinc/11/24/88/553112488.db2.gz JYOYDIXBCCTGBQ-VUCTXSBTSA-N 0 3 363.414 2.335 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H]1CCCOC1 ZINC000502619231 561622166 /nfs/dbraw/zinc/62/21/66/561622166.db2.gz CGHIKKMYCCHHHP-AGIUHOORSA-N 0 3 351.403 2.335 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296441282 553160334 /nfs/dbraw/zinc/16/03/34/553160334.db2.gz WOWOPQMYHCNBEA-CSMYWGQOSA-N 0 3 361.398 2.089 20 5 FEBDHN CC(C)(C)OC(=O)N1CCO[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000296608834 553186723 /nfs/dbraw/zinc/18/67/23/553186723.db2.gz SBLQWFROMIFRIQ-HNNXBMFYSA-N 0 3 351.403 2.320 20 5 FEBDHN COc1ccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000296965114 553236132 /nfs/dbraw/zinc/23/61/32/553236132.db2.gz BIYYZTBEUPDUKX-SFHVURJKSA-N 0 3 362.430 2.231 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000297695915 553326158 /nfs/dbraw/zinc/32/61/58/553326158.db2.gz QFIKKZGARSTYTH-UHFFFAOYSA-N 0 3 352.398 2.162 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298284404 553408163 /nfs/dbraw/zinc/40/81/63/553408163.db2.gz XHWNQKYKBAHUNL-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN CN(CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000299117143 553517615 /nfs/dbraw/zinc/51/76/15/553517615.db2.gz SGQHSGFMFPBMIF-UHFFFAOYSA-N 0 3 371.393 2.228 20 5 FEBDHN Cc1nn(C)c(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549011 553660391 /nfs/dbraw/zinc/66/03/91/553660391.db2.gz LTGIAMPOSYJJSX-ZIAGYGMSSA-N 0 3 365.478 2.352 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000505616809 561675568 /nfs/dbraw/zinc/67/55/68/561675568.db2.gz ZFJNTTIRIZOXON-QGZVFWFLSA-N 0 3 353.369 2.360 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000505891060 561684285 /nfs/dbraw/zinc/68/42/85/561684285.db2.gz VZKDKFHYMRPXQA-UHFFFAOYSA-N 0 3 363.462 2.284 20 5 FEBDHN O=C(CCN1CCS[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621650 554296939 /nfs/dbraw/zinc/29/69/39/554296939.db2.gz FHZPJDMULLQVSM-HUUCEWRRSA-N 0 3 351.428 2.130 20 5 FEBDHN COc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371393 554433603 /nfs/dbraw/zinc/43/36/03/554433603.db2.gz BCOXEHUYUOMCPD-NVXWUHKLSA-N 0 3 362.474 2.061 20 5 FEBDHN CN(CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000511437456 561869414 /nfs/dbraw/zinc/86/94/14/561869414.db2.gz ODPYKGNIHGANQC-UHFFFAOYSA-N 0 3 355.442 2.244 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000360828008 554891628 /nfs/dbraw/zinc/89/16/28/554891628.db2.gz GKJUPUFZAXTSHL-UHFFFAOYSA-N 0 3 367.409 2.488 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C1 ZINC000363585035 555142265 /nfs/dbraw/zinc/14/22/65/555142265.db2.gz GBSCOQVFKUFJEA-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653934 555364262 /nfs/dbraw/zinc/36/42/62/555364262.db2.gz WFPXIWUJQIKYEQ-FZMZJTMJSA-N 0 3 363.443 2.121 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364863263 555418457 /nfs/dbraw/zinc/41/84/57/555418457.db2.gz BUHGABHFTJBZNW-CYBMUJFWSA-N 0 3 354.401 2.478 20 5 FEBDHN Cc1nnc(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000365109918 555487584 /nfs/dbraw/zinc/48/75/84/555487584.db2.gz MVBUSZSVSXXNMO-LLVKDONJSA-N 0 3 358.402 2.228 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000365482108 555587316 /nfs/dbraw/zinc/58/73/16/555587316.db2.gz KUQHNYWCDINDBF-HNNXBMFYSA-N 0 3 373.413 2.244 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366192923 555776877 /nfs/dbraw/zinc/77/68/77/555776877.db2.gz PZILIIDNZSQYDD-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCO[C@H]3CCCCO3)C2)nc1 ZINC000514082744 561959910 /nfs/dbraw/zinc/95/99/10/561959910.db2.gz JJHKVFXSVKODIZ-YOEHRIQHSA-N 0 3 350.419 2.409 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367325024 556018241 /nfs/dbraw/zinc/01/82/41/556018241.db2.gz AHMYDASLQVNWOV-AWEZNQCLSA-N 0 3 352.822 2.167 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000367838563 556151710 /nfs/dbraw/zinc/15/17/10/556151710.db2.gz FVXUCNXDXHRWJY-MRXNPFEDSA-N 0 3 355.797 2.484 20 5 FEBDHN CO[C@](C)(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638172 562017838 /nfs/dbraw/zinc/01/78/38/562017838.db2.gz UXUONZORHFDNLR-VQIMIIECSA-N 0 3 360.410 2.486 20 5 FEBDHN CN(C(=O)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369008233 556474759 /nfs/dbraw/zinc/47/47/59/556474759.db2.gz HQPUFSZVXNECSM-MRXNPFEDSA-N 0 3 357.414 2.481 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359133 556579445 /nfs/dbraw/zinc/57/94/45/556579445.db2.gz PCIAQJWHULKICT-MRVWCRGKSA-N 0 3 353.444 2.276 20 5 FEBDHN Cc1cc(C2=CCN(CCN3CCO[C@H](C)C3)CC2)cc([N+](=O)[O-])c1N ZINC000370587239 556915290 /nfs/dbraw/zinc/91/52/90/556915290.db2.gz DFJFHMLOGHJFPO-OAHLLOKOSA-N 0 3 360.458 2.295 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(c2cnccn2)CC1 ZINC000370630335 556924844 /nfs/dbraw/zinc/92/48/44/556924844.db2.gz HEHWWKFEGPJPOR-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN Cc1c([C@H](C)NC[C@@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283539 557130644 /nfs/dbraw/zinc/13/06/44/557130644.db2.gz LDIWWQKIUVKDCO-LPHOPBHVSA-N 0 3 363.458 2.435 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000371359969 557160010 /nfs/dbraw/zinc/16/00/10/557160010.db2.gz ARENTSINZSSYDL-UHFFFAOYSA-N 0 3 369.425 2.481 20 5 FEBDHN Cc1sc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000517651810 562094650 /nfs/dbraw/zinc/09/46/50/562094650.db2.gz ATZDXEXBBKHSNN-UHFFFAOYSA-N 0 3 361.427 2.364 20 5 FEBDHN Cc1sc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000517651810 562094651 /nfs/dbraw/zinc/09/46/51/562094651.db2.gz ATZDXEXBBKHSNN-UHFFFAOYSA-N 0 3 361.427 2.364 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471129 557699970 /nfs/dbraw/zinc/69/99/70/557699970.db2.gz KJVICLYMSZBBDF-CABCVRRESA-N 0 3 364.450 2.012 20 5 FEBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000374346546 557869217 /nfs/dbraw/zinc/86/92/17/557869217.db2.gz SMLWXNQKGLJXMW-UHFFFAOYSA-N 0 3 368.409 2.353 20 5 FEBDHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)[C@H]2C1 ZINC000521068026 562169072 /nfs/dbraw/zinc/16/90/72/562169072.db2.gz JKSITZHDTDQJPW-LSDHHAIUSA-N 0 3 350.419 2.076 20 5 FEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000374906011 557949046 /nfs/dbraw/zinc/94/90/46/557949046.db2.gz BLPWOBDBDUYRHX-PBHICJAKSA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OC2CCN(C)CC2)c1 ZINC000375006319 557963136 /nfs/dbraw/zinc/96/31/36/557963136.db2.gz TXQHAYRYGFETSL-UHFFFAOYSA-N 0 3 371.397 2.419 20 5 FEBDHN Cc1cccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000375238433 557996873 /nfs/dbraw/zinc/99/68/73/557996873.db2.gz CNMASQPQVZVOHY-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN COc1ccccc1N1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375673716 558065416 /nfs/dbraw/zinc/06/54/16/558065416.db2.gz QUZHNCMDKDHSCG-OAHLLOKOSA-N 0 3 359.430 2.401 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375886026 558093942 /nfs/dbraw/zinc/09/39/42/558093942.db2.gz XSOUSHNIMSGEEB-QGZVFWFLSA-N 0 3 360.458 2.144 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000521862990 562185193 /nfs/dbraw/zinc/18/51/93/562185193.db2.gz ONSCHZDOCHKXME-CQSZACIVSA-N 0 3 368.455 2.450 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1F ZINC000377061145 558257642 /nfs/dbraw/zinc/25/76/42/558257642.db2.gz KDEMTSBGTCYUMQ-UHFFFAOYSA-N 0 3 365.405 2.499 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535189 562199518 /nfs/dbraw/zinc/19/95/18/562199518.db2.gz VBLJIABGXCLCQW-STQMWFEESA-N 0 3 351.451 2.177 20 5 FEBDHN COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000378002099 558461051 /nfs/dbraw/zinc/46/10/51/558461051.db2.gz QFJBPUJLRSUVGM-AWEZNQCLSA-N 0 3 363.414 2.363 20 5 FEBDHN Cc1c(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367405 558540710 /nfs/dbraw/zinc/54/07/10/558540710.db2.gz DKEIFLDTMPDISQ-AWEZNQCLSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000408340607 558668639 /nfs/dbraw/zinc/66/86/39/558668639.db2.gz WPCNORUWBFECKS-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000408342948 558669106 /nfs/dbraw/zinc/66/91/06/558669106.db2.gz MFXMEHRSLMZZBV-GJZGRUSLSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000411313144 558874573 /nfs/dbraw/zinc/87/45/73/558874573.db2.gz AADRBEYRJVFPAT-CJNGLKHVSA-N 0 3 363.414 2.433 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411317737 558875596 /nfs/dbraw/zinc/87/55/96/558875596.db2.gz PDBWZGFXSCDUDD-BBRMVZONSA-N 0 3 363.414 2.433 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCCC[C@@H]2C)c1F ZINC000411411018 558889971 /nfs/dbraw/zinc/88/99/71/558889971.db2.gz FIRWUVDZULHHKY-LBPRGKRZSA-N 0 3 353.394 2.276 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1cnn(C)c1 ZINC000411498626 558905816 /nfs/dbraw/zinc/90/58/16/558905816.db2.gz PJXQQEURIVRTIQ-LBPRGKRZSA-N 0 3 361.402 2.359 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000411587606 558923829 /nfs/dbraw/zinc/92/38/29/558923829.db2.gz DNZWBHQFWMAZFN-CQSZACIVSA-N 0 3 362.430 2.091 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000411589109 558924200 /nfs/dbraw/zinc/92/42/00/558924200.db2.gz HJJNRPLUZBDKQZ-AWEZNQCLSA-N 0 3 362.430 2.091 20 5 FEBDHN COc1cc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411969247 558997170 /nfs/dbraw/zinc/99/71/70/558997170.db2.gz QEIWOGKKUZHEGV-LJQANCHMSA-N 0 3 355.394 2.232 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413127999 559081010 /nfs/dbraw/zinc/08/10/10/559081010.db2.gz CJFQUMFBKUAAAN-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000413152948 559083503 /nfs/dbraw/zinc/08/35/03/559083503.db2.gz JNIBNHXXZVJZBC-RHSMWYFYSA-N 0 3 360.389 2.424 20 5 FEBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000413506314 559112650 /nfs/dbraw/zinc/11/26/50/559112650.db2.gz VOQKWSXLUQFUBL-SNVBAGLBSA-N 0 3 361.320 2.155 20 5 FEBDHN COC[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414485369 559168171 /nfs/dbraw/zinc/16/81/71/559168171.db2.gz IARZOSHDHYBHRR-STQMWFEESA-N 0 3 362.382 2.445 20 5 FEBDHN O=C(NC[C@H]1CNCCO1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415200801 559214294 /nfs/dbraw/zinc/21/42/94/559214294.db2.gz XXLGRGQZANRNEU-QGZVFWFLSA-N 0 3 372.381 2.497 20 5 FEBDHN COC(=O)c1cc(C(=O)N(C)C(C)(C)CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000416090867 559291555 /nfs/dbraw/zinc/29/15/55/559291555.db2.gz FFCHAZBKJDPRIQ-UHFFFAOYSA-N 0 3 363.414 2.328 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416385523 559309071 /nfs/dbraw/zinc/30/90/71/559309071.db2.gz HRBWOYMAIJHKCJ-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c1C ZINC000416569832 559322474 /nfs/dbraw/zinc/32/24/74/559322474.db2.gz YUTLIZJOARLDJT-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCc4nnnn4CC3)o2)c1 ZINC000421392881 559540948 /nfs/dbraw/zinc/54/09/48/559540948.db2.gz CUVODZMADFGURE-ZDUSSCGKSA-N 0 3 354.370 2.336 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000423982040 559648909 /nfs/dbraw/zinc/64/89/09/559648909.db2.gz REORATCZQBGXJU-INIZCTEOSA-N 0 3 359.430 2.177 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504225 559706280 /nfs/dbraw/zinc/70/62/80/559706280.db2.gz VJFDBBBRKKUARN-AWEZNQCLSA-N 0 3 358.402 2.160 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000428551928 559778153 /nfs/dbraw/zinc/77/81/53/559778153.db2.gz LMATYJXBXUBAQW-HNNXBMFYSA-N 0 3 371.393 2.422 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCO1 ZINC000432543493 559860628 /nfs/dbraw/zinc/86/06/28/559860628.db2.gz UIILJGUFQRYCCP-CYBMUJFWSA-N 0 3 360.414 2.307 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000443653114 560089351 /nfs/dbraw/zinc/08/93/51/560089351.db2.gz LHSBLNBSYHKBLW-CHWSQXEVSA-N 0 3 353.394 2.353 20 5 FEBDHN COCCO[C@@H]1C[C@@H](CO)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000447078671 560156077 /nfs/dbraw/zinc/15/60/77/560156077.db2.gz UYIBHQIRYAZMST-VCEMYFSSSA-N 0 3 364.442 2.344 20 5 FEBDHN O=C1NCCc2ccc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593583 560165009 /nfs/dbraw/zinc/16/50/09/560165009.db2.gz SZOHVNGPKIBCIP-SJORKVTESA-N 0 3 369.425 2.351 20 5 FEBDHN C[C@@]12CN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555954 560189874 /nfs/dbraw/zinc/18/98/74/560189874.db2.gz NSHANPLCDLUPSN-ULAROXBWSA-N 0 3 367.405 2.371 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450351023 560259598 /nfs/dbraw/zinc/25/95/98/560259598.db2.gz SUMXGHGSWCSVCJ-UHFFFAOYSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000450467173 560263336 /nfs/dbraw/zinc/26/33/36/560263336.db2.gz CLOCUJIRGHNEMH-CYBMUJFWSA-N 0 3 374.441 2.433 20 5 FEBDHN CN(C)S(=O)(=O)c1ccc(NCCN2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450953560 560279789 /nfs/dbraw/zinc/27/97/89/560279789.db2.gz ZCFJQDHMEDWIOD-UHFFFAOYSA-N 0 3 370.475 2.131 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000455458567 560483158 /nfs/dbraw/zinc/48/31/58/560483158.db2.gz DUUMUIKXMIEKRP-OAHLLOKOSA-N 0 3 350.419 2.126 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000456326720 560515554 /nfs/dbraw/zinc/51/55/54/560515554.db2.gz GRVLQDQMMOTMLI-INIZCTEOSA-N 0 3 371.441 2.162 20 5 FEBDHN CN(C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457202378 560555579 /nfs/dbraw/zinc/55/55/79/560555579.db2.gz HGUPDFHXAMNMIS-UHFFFAOYSA-N 0 3 358.236 2.356 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744230 560705718 /nfs/dbraw/zinc/70/57/18/560705718.db2.gz DQMGJICKDVOLEC-IUIKQTSFSA-N 0 3 363.414 2.478 20 5 FEBDHN Cc1cc(NC2CCN(CCC(=O)N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461946592 560789191 /nfs/dbraw/zinc/78/91/91/560789191.db2.gz HETQGIXNCYDXBB-UHFFFAOYSA-N 0 3 352.410 2.397 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000467053239 560902511 /nfs/dbraw/zinc/90/25/11/560902511.db2.gz GOBOPMAMEGICQG-RYUDHWBXSA-N 0 3 359.473 2.070 20 5 FEBDHN COc1cc(CCNC(=O)c2ccc3c(c2)CNC3)c([N+](=O)[O-])cc1OC ZINC000470372675 560979926 /nfs/dbraw/zinc/97/99/26/560979926.db2.gz LYVREXPHLKFMRZ-UHFFFAOYSA-N 0 3 371.393 2.188 20 5 FEBDHN CCOc1cc(C(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000474100862 561065696 /nfs/dbraw/zinc/06/56/96/561065696.db2.gz XEZCXTTUINZWBM-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475097282 561090237 /nfs/dbraw/zinc/09/02/37/561090237.db2.gz YUKSSYMNGBJKGQ-ZBFHGGJFSA-N 0 3 366.414 2.130 20 5 FEBDHN COC[C@@H]1CCCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475110851 561090719 /nfs/dbraw/zinc/09/07/19/561090719.db2.gz OOKCURKMOGPUML-OAHLLOKOSA-N 0 3 366.414 2.395 20 5 FEBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475306630 561094534 /nfs/dbraw/zinc/09/45/34/561094534.db2.gz SUCYAUBWVFBBOV-MRXNPFEDSA-N 0 3 371.441 2.259 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N2CCCC2)cc1 ZINC000476354719 561117383 /nfs/dbraw/zinc/11/73/83/561117383.db2.gz NTWMKRAGTVCFMU-INIZCTEOSA-N 0 3 357.414 2.204 20 5 FEBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H](N2CCCC2)C1 ZINC000530463734 562412204 /nfs/dbraw/zinc/41/22/04/562412204.db2.gz HTXXXYUELVYIPS-QGZVFWFLSA-N 0 3 360.458 2.102 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340873 562442610 /nfs/dbraw/zinc/44/26/10/562442610.db2.gz ZLYLPIFJOUHDQH-KRWDZBQOSA-N 0 3 350.438 2.334 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](N2CCCC2)C1 ZINC000532875134 562491478 /nfs/dbraw/zinc/49/14/78/562491478.db2.gz CEKDYCWCZSCJFG-AWEZNQCLSA-N 0 3 370.409 2.219 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(CCN(C)C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000533193097 562500920 /nfs/dbraw/zinc/50/09/20/562500920.db2.gz LHUQYUWNRXTYQE-UHFFFAOYSA-N 0 3 365.430 2.431 20 5 FEBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546206969 562635021 /nfs/dbraw/zinc/63/50/21/562635021.db2.gz OHEJHOGMSITDMI-OAHLLOKOSA-N 0 3 357.414 2.363 20 5 FEBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546206969 562635022 /nfs/dbraw/zinc/63/50/22/562635022.db2.gz OHEJHOGMSITDMI-OAHLLOKOSA-N 0 3 357.414 2.363 20 5 FEBDHN Cn1ncc(C2CC2)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602710434 568018942 /nfs/dbraw/zinc/01/89/42/568018942.db2.gz LBLSYUUMKGPHNV-UHFFFAOYSA-N 0 3 356.430 2.359 20 5 FEBDHN NC(=O)c1cccc(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000557491202 674450800 /nfs/dbraw/zinc/45/08/00/674450800.db2.gz ASZKAHRPHWJFES-UHFFFAOYSA-N 0 3 364.471 2.467 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000560583253 674600886 /nfs/dbraw/zinc/60/08/86/674600886.db2.gz WPDOVEBFVSBXIL-DZGCQCFKSA-N 0 3 355.460 2.368 20 5 FEBDHN CC(COC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813105305 674720130 /nfs/dbraw/zinc/72/01/30/674720130.db2.gz XOJQCKMDLLIFKB-SSDOTTSWSA-N 0 3 362.239 2.247 20 5 FEBDHN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104679 674720147 /nfs/dbraw/zinc/72/01/47/674720147.db2.gz FTOOAAQOFIZXMJ-RTXFEEFZSA-N 0 3 354.359 2.458 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cccc(F)c2F)cc1 ZINC000562993857 674832548 /nfs/dbraw/zinc/83/25/48/674832548.db2.gz PXNVTTFYCSCRTN-UHFFFAOYSA-N 0 3 370.377 2.479 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](CO)C2CCCCC2)cc1 ZINC000571403578 670869601 /nfs/dbraw/zinc/86/96/01/670869601.db2.gz LLUKAGNCAPVVET-OAHLLOKOSA-N 0 3 370.471 2.147 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000572180023 670970487 /nfs/dbraw/zinc/97/04/87/670970487.db2.gz LCXCGXKAXHFNJA-CQSZACIVSA-N 0 3 355.460 2.135 20 5 FEBDHN CC(C)N(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581099308 671863406 /nfs/dbraw/zinc/86/34/06/671863406.db2.gz FYDYMJDCGQZTPP-UHFFFAOYSA-N 0 3 364.183 2.402 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610134955 675955892 /nfs/dbraw/zinc/95/58/92/675955892.db2.gz HLLDSCZPVUIBIM-KBPBESRZSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135042 675956179 /nfs/dbraw/zinc/95/61/79/675956179.db2.gz KFRZMQVSKTWMGJ-KBPBESRZSA-N 0 3 355.460 2.397 20 5 FEBDHN CCOc1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793067 672216514 /nfs/dbraw/zinc/21/65/14/672216514.db2.gz BHCRDXGLDSDELE-ZWKOTPCHSA-N 0 3 350.415 2.403 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000610768609 675995716 /nfs/dbraw/zinc/99/57/16/675995716.db2.gz AAYVNLHEVVTYSY-HNNXBMFYSA-N 0 3 365.455 2.056 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590046971 672556771 /nfs/dbraw/zinc/55/67/71/672556771.db2.gz QEUYGKLGAQXGHI-YGRLFVJLSA-N 0 3 368.231 2.442 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590442729 672582961 /nfs/dbraw/zinc/58/29/61/672582961.db2.gz GUXMFSXNBNVGEV-MJVIPROJSA-N 0 3 353.806 2.178 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1SC ZINC000590445428 672583436 /nfs/dbraw/zinc/58/34/36/672583436.db2.gz LWHLAYJGNFOGCJ-ZWNOBZJWSA-N 0 3 351.428 2.101 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590589131 672593378 /nfs/dbraw/zinc/59/33/78/672593378.db2.gz MDOYPANPZNEPBM-GWCFXTLKSA-N 0 3 361.851 2.270 20 5 FEBDHN COC[C@H](CC(C)(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615094 672958579 /nfs/dbraw/zinc/95/85/79/672958579.db2.gz IWAFDXREFICDNS-ZDUSSCGKSA-N 0 3 358.460 2.409 20 5 FEBDHN COC1CCN(CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612483983 676084121 /nfs/dbraw/zinc/08/41/21/676084121.db2.gz PHPNODSQBHXWIK-GFCCVEGCSA-N 0 3 353.394 2.064 20 5 FEBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000593884320 673004081 /nfs/dbraw/zinc/00/40/81/673004081.db2.gz WSDBMCZPUKIPGS-UHFFFAOYSA-N 0 3 367.471 2.237 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCc1cn(CCCN2CCSCC2)nn1 ZINC000594655244 673109080 /nfs/dbraw/zinc/10/90/80/673109080.db2.gz YVMJXPVNXVNSLG-UHFFFAOYSA-N 0 3 363.443 2.204 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000595411759 673246142 /nfs/dbraw/zinc/24/61/42/673246142.db2.gz STFQDZBMHWPKIF-GFCCVEGCSA-N 0 3 359.473 2.057 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000595411759 673246143 /nfs/dbraw/zinc/24/61/43/673246143.db2.gz STFQDZBMHWPKIF-GFCCVEGCSA-N 0 3 359.473 2.057 20 5 FEBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596461234 673387174 /nfs/dbraw/zinc/38/71/74/673387174.db2.gz DAHSSYLACYYFFG-UHFFFAOYSA-N 0 3 362.352 2.070 20 5 FEBDHN Cc1sc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733158641 673401028 /nfs/dbraw/zinc/40/10/28/673401028.db2.gz OYVWAJZBMQVDEZ-ZDUSSCGKSA-N 0 3 353.444 2.338 20 5 FEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246812 673481110 /nfs/dbraw/zinc/48/11/10/673481110.db2.gz QWQXONWCFPIPML-PWSUYJOCSA-N 0 3 356.329 2.104 20 5 FEBDHN CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)N1 ZINC000598531694 673579549 /nfs/dbraw/zinc/57/95/49/673579549.db2.gz OVCWQVCMUMMADO-CMPLNLGQSA-N 0 3 370.247 2.499 20 5 FEBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000598535882 673579838 /nfs/dbraw/zinc/57/98/38/673579838.db2.gz KQCLOLBUKXKLHD-GFCCVEGCSA-N 0 3 353.444 2.372 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880528 673825045 /nfs/dbraw/zinc/82/50/45/673825045.db2.gz ZNMPCIUXPNZAGD-OAHLLOKOSA-N 0 3 355.460 2.384 20 5 FEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959020 675855346 /nfs/dbraw/zinc/85/53/46/675855346.db2.gz KMGXDTXEXGQIGQ-GHMZBOCLSA-N 0 3 356.785 2.278 20 5 FEBDHN O=C1CC[C@@H](N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352324 675876962 /nfs/dbraw/zinc/87/69/62/675876962.db2.gz FREGXVUQDOVZLP-CYBMUJFWSA-N 0 3 352.822 2.039 20 5 FEBDHN CS(=O)(=O)NC1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000619748033 676393170 /nfs/dbraw/zinc/39/31/70/676393170.db2.gz VUFGLEDEQBRLBA-UHFFFAOYSA-N 0 3 365.411 2.025 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000748151893 679934839 /nfs/dbraw/zinc/93/48/39/679934839.db2.gz SKPBRXFVLFQVKB-OAHLLOKOSA-N 0 3 352.460 2.334 20 5 FEBDHN CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1(C)C ZINC000874099401 685295259 /nfs/dbraw/zinc/29/52/59/685295259.db2.gz WWLVWMGWXMUHKN-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000836089714 680419893 /nfs/dbraw/zinc/41/98/93/680419893.db2.gz PZWSLGRMFGMCTE-GFCCVEGCSA-N 0 3 368.821 2.128 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000836090269 680419960 /nfs/dbraw/zinc/41/99/60/680419960.db2.gz XGZKBAWPHYHPGP-GFCCVEGCSA-N 0 3 368.821 2.128 20 5 FEBDHN O=C(NCC1CCN(Cc2cc(F)ccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398454 680460105 /nfs/dbraw/zinc/46/01/05/680460105.db2.gz FDEQEVTWRTZPFE-GDBMZVCRSA-N 0 3 369.824 2.473 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000766930656 680893386 /nfs/dbraw/zinc/89/33/86/680893386.db2.gz IALAGSFNOIATHJ-ZDUSSCGKSA-N 0 3 352.435 2.050 20 5 FEBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC000912916904 685466657 /nfs/dbraw/zinc/46/66/57/685466657.db2.gz SRYNNKYTZJQOMR-ZDUSSCGKSA-N 0 3 353.806 2.324 20 5 FEBDHN O=C(CCN[C@@H](CO)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543140 682056227 /nfs/dbraw/zinc/05/62/27/682056227.db2.gz CLUPGNBCEQDENU-AWEZNQCLSA-N 0 3 353.375 2.447 20 5 FEBDHN CC[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000856407742 682776692 /nfs/dbraw/zinc/77/66/92/682776692.db2.gz ABSOQVWEGWFVSU-WCQYABFASA-N 0 3 350.375 2.035 20 5 FEBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000795072047 683014090 /nfs/dbraw/zinc/01/40/90/683014090.db2.gz GAPYKDYFRRPXNR-UHFFFAOYSA-N 0 3 371.459 2.145 20 5 FEBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342958 683391738 /nfs/dbraw/zinc/39/17/38/683391738.db2.gz FQCPLQKAGJZDHP-SUMWQHHRSA-N 0 3 351.403 2.049 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000929832714 683644304 /nfs/dbraw/zinc/64/43/04/683644304.db2.gz DZBSSPGTYLUKGR-BXKDBHETSA-N 0 3 356.329 2.364 20 5 FEBDHN CC(C)O[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000922611773 683753870 /nfs/dbraw/zinc/75/38/70/683753870.db2.gz PIBMMXYPPNYXML-KRWDZBQOSA-N 0 3 352.387 2.040 20 5 FEBDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000924008945 684387565 /nfs/dbraw/zinc/38/75/65/684387565.db2.gz SLJGGJRLFAHWMM-BXKDBHETSA-N 0 3 371.235 2.249 20 5 FEBDHN COCCC(=O)N1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872049218 684917042 /nfs/dbraw/zinc/91/70/42/684917042.db2.gz QKTGLPMPMVTIRY-LBPRGKRZSA-N 0 3 353.394 2.412 20 5 FEBDHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133976 687004351 /nfs/dbraw/zinc/00/43/51/687004351.db2.gz KJQFZGRDYTWYHA-UONOGXRCSA-N 0 3 352.822 2.355 20 5 FEBDHN CCOc1cc(NC(=O)N(CCOC)CCN(C)C)ccc1[N+](=O)[O-] ZINC000888834790 688680428 /nfs/dbraw/zinc/68/04/28/688680428.db2.gz RIRRRCLTTVZUSB-UHFFFAOYSA-N 0 3 354.407 2.035 20 5 FEBDHN COc1c(O)ccc(CN2CCC[C@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000893535875 689362881 /nfs/dbraw/zinc/36/28/81/689362881.db2.gz QQNOJQBIYHDRRP-ZDUSSCGKSA-N 0 3 352.387 2.284 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC23CC(O)C3)c1 ZINC000897843965 690089323 /nfs/dbraw/zinc/08/93/23/690089323.db2.gz KKHBGSLZBZIJQW-OTTFEQOBSA-N 0 3 374.178 2.202 20 5 FEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154083 690857054 /nfs/dbraw/zinc/85/70/54/690857054.db2.gz WXSHTNCHCYVJOG-AFAVFJNCSA-N 0 3 354.403 2.075 20 5 FEBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907538 721551686 /nfs/dbraw/zinc/55/16/86/721551686.db2.gz OCUDDDXAOTZDLZ-HOCLYGCPSA-N 0 3 373.388 2.053 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000359872607 210194036 /nfs/dbraw/zinc/19/40/36/210194036.db2.gz OPYXUNYYBMUTKP-IRXDYDNUSA-N 0 3 357.410 2.294 20 5 FEBDHN CN(C)Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000029952355 539869876 /nfs/dbraw/zinc/86/98/76/539869876.db2.gz QDCNORKDOVFUQM-UHFFFAOYSA-N 0 3 366.381 2.489 20 5 FEBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1CN1CCCCC1 ZINC000043285612 540096121 /nfs/dbraw/zinc/09/61/21/540096121.db2.gz BJHHLBSERJZPSH-UHFFFAOYSA-N 0 3 357.414 2.094 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047142584 540292550 /nfs/dbraw/zinc/29/25/50/540292550.db2.gz AQFIKZQXNRREHA-CYBMUJFWSA-N 0 3 363.414 2.376 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056240508 540713370 /nfs/dbraw/zinc/71/33/70/540713370.db2.gz QHPSSZBPRCWPCG-ZIAGYGMSSA-N 0 3 372.429 2.026 20 5 FEBDHN O=C(NCCN1CCCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466461 541169294 /nfs/dbraw/zinc/16/92/94/541169294.db2.gz QLTIHNCOGYQADZ-UHFFFAOYSA-N 0 3 357.414 2.386 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000064598130 541212509 /nfs/dbraw/zinc/21/25/09/541212509.db2.gz LTCQIWNQFZFJRL-MRXNPFEDSA-N 0 3 367.471 2.406 20 5 FEBDHN CCN1CCN(C(=O)CC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000066568327 541337368 /nfs/dbraw/zinc/33/73/68/541337368.db2.gz ZDVVVJWEBMPZRJ-UHFFFAOYSA-N 0 3 374.485 2.361 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000066663279 541357045 /nfs/dbraw/zinc/35/70/45/541357045.db2.gz ZBAUAQDRQSJMGT-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H](N2CCCC2)C1 ZINC000067191353 541430167 /nfs/dbraw/zinc/43/01/67/541430167.db2.gz WBIFFAJALZNIKO-ZDUSSCGKSA-N 0 3 361.398 2.066 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000067429490 541463282 /nfs/dbraw/zinc/46/32/82/541463282.db2.gz BUUJIZBXUYQWFQ-LSDHHAIUSA-N 0 3 353.444 2.062 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000067744386 541507891 /nfs/dbraw/zinc/50/78/91/541507891.db2.gz IPXMDAPKOIPWTM-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000068468036 541595943 /nfs/dbraw/zinc/59/59/43/541595943.db2.gz GUMYOVYRSNTQBA-UHFFFAOYSA-N 0 3 373.457 2.123 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544847826 541842312 /nfs/dbraw/zinc/84/23/12/541842312.db2.gz FXTSLIUXOADERC-UHFFFAOYSA-N 0 3 373.413 2.225 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NC[C@H](CC(C)C)N(C)C)cc([N+](=O)[O-])c1 ZINC000074136925 542042742 /nfs/dbraw/zinc/04/27/42/542042742.db2.gz DICKVPWVNHLBHI-INIZCTEOSA-N 0 3 365.430 2.478 20 5 FEBDHN CN1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075956188 542218242 /nfs/dbraw/zinc/21/82/42/542218242.db2.gz UAWHEWXLEWHAQV-UHFFFAOYSA-N 0 3 369.853 2.397 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000016599381 211163633 /nfs/dbraw/zinc/16/36/33/211163633.db2.gz ZQMGJXPWCPZNHK-KRWDZBQOSA-N 0 3 371.393 2.414 20 5 FEBDHN Cc1ccc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000077452484 542384172 /nfs/dbraw/zinc/38/41/72/542384172.db2.gz CHXMWMVBVDCOIG-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCN(C)C)CC2)c1 ZINC000077457728 542385045 /nfs/dbraw/zinc/38/50/45/542385045.db2.gz RKEXQQCLZPZXBG-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000078737090 542478196 /nfs/dbraw/zinc/47/81/96/542478196.db2.gz CFEWXYVGARZRPK-CQSZACIVSA-N 0 3 353.444 2.152 20 5 FEBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCCC2)cc1 ZINC000079076500 542498336 /nfs/dbraw/zinc/49/83/36/542498336.db2.gz AXQSMUSDVFSEPB-AWEZNQCLSA-N 0 3 358.402 2.225 20 5 FEBDHN Cn1ccnc1[C@@H](O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089924962 542772849 /nfs/dbraw/zinc/77/28/49/542772849.db2.gz ZWRYKGVFLCBYEC-KRWDZBQOSA-N 0 3 360.414 2.153 20 5 FEBDHN C[C@@H](CC1CCCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015481 542780802 /nfs/dbraw/zinc/78/08/02/542780802.db2.gz OCFMCGGVXPFTQT-ZDUSSCGKSA-N 0 3 355.460 2.432 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891508 543253222 /nfs/dbraw/zinc/25/32/22/543253222.db2.gz GQWMDMRZWURJSS-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111339986 543397533 /nfs/dbraw/zinc/39/75/33/543397533.db2.gz ZMSYPRBEUGJJPU-UHFFFAOYSA-N 0 3 361.851 2.211 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)cc1[N+](=O)[O-] ZINC000122811762 543725405 /nfs/dbraw/zinc/72/54/05/543725405.db2.gz KTQAMLIUXPQUHF-MRXNPFEDSA-N 0 3 362.430 2.078 20 5 FEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124068150 543799489 /nfs/dbraw/zinc/79/94/89/543799489.db2.gz PLSWXWDVPDQBCP-UHFFFAOYSA-N 0 3 369.365 2.409 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COC[C@@H]2CCCO2)C2CC2)cc1 ZINC000130821918 544166656 /nfs/dbraw/zinc/16/66/56/544166656.db2.gz VLOLPNIIFNQKBE-MSOLQXFVSA-N 0 3 350.415 2.116 20 5 FEBDHN COc1cc(CN[C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833880 544167205 /nfs/dbraw/zinc/16/72/05/544167205.db2.gz URFCIHIFEJOWQN-MNOVXSKESA-N 0 3 373.356 2.339 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000134914037 544327056 /nfs/dbraw/zinc/32/70/56/544327056.db2.gz GZQVPKQFSQVAIT-GOEBONIOSA-N 0 3 371.441 2.306 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865559 544380430 /nfs/dbraw/zinc/38/04/30/544380430.db2.gz XXKUAKIDZAGIBO-VQTJNVASSA-N 0 3 371.437 2.291 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c(Cl)c1 ZINC000151635472 544564615 /nfs/dbraw/zinc/56/46/15/544564615.db2.gz NQZCLZZBMNITGI-LBPRGKRZSA-N 0 3 373.862 2.355 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152865785 544704323 /nfs/dbraw/zinc/70/43/23/544704323.db2.gz OZTATBUCZXKHTJ-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154955084 544970870 /nfs/dbraw/zinc/97/08/70/544970870.db2.gz AJEMKWJNKYFLKM-HNNXBMFYSA-N 0 3 355.460 2.231 20 5 FEBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181685700 327741702 /nfs/dbraw/zinc/74/17/02/327741702.db2.gz UTWCJCARAPLVQW-CQSZACIVSA-N 0 3 369.377 2.457 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC12CCCC2 ZINC000189167166 328132750 /nfs/dbraw/zinc/13/27/50/328132750.db2.gz ZPAREWZZMCGGGZ-HNNXBMFYSA-N 0 3 353.444 2.186 20 5 FEBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000190204647 328194154 /nfs/dbraw/zinc/19/41/54/328194154.db2.gz XBIFHGIYYFPQBV-NWDGAFQWSA-N 0 3 350.341 2.063 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000191406338 328264179 /nfs/dbraw/zinc/26/41/79/328264179.db2.gz SMNHOPFGSDWLOH-CYBMUJFWSA-N 0 3 363.462 2.217 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000193242838 328364660 /nfs/dbraw/zinc/36/46/60/328364660.db2.gz KLUDBGKXZQTMJR-ZACCUICWSA-N 0 3 359.835 2.118 20 5 FEBDHN COc1cccc2c1CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000193719976 328391559 /nfs/dbraw/zinc/39/15/59/328391559.db2.gz HEKYHFHAAZDTSS-UHFFFAOYSA-N 0 3 355.394 2.303 20 5 FEBDHN COc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000193925140 328402621 /nfs/dbraw/zinc/40/26/21/328402621.db2.gz ARHYSLPFHAUTLG-ZDUSSCGKSA-N 0 3 371.459 2.004 20 5 FEBDHN Cc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457572 325254727 /nfs/dbraw/zinc/25/47/27/325254727.db2.gz IFUVLQLDOSZHDW-ZIAGYGMSSA-N 0 3 364.446 2.105 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000085455779 325254744 /nfs/dbraw/zinc/25/47/44/325254744.db2.gz STZOZFPVEHXFLY-CHWSQXEVSA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090515945 325361525 /nfs/dbraw/zinc/36/15/25/325361525.db2.gz GZQIVJQQRVCIGS-CQSZACIVSA-N 0 3 368.397 2.030 20 5 FEBDHN Cc1cc(S(=O)(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000092980618 325430263 /nfs/dbraw/zinc/43/02/63/325430263.db2.gz VQPDPZUWOLNWQG-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN Cc1nn(C)c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000109275625 325663367 /nfs/dbraw/zinc/66/33/67/325663367.db2.gz BKXQDJKGNVTTSK-GFCCVEGCSA-N 0 3 359.430 2.496 20 5 FEBDHN Cc1cccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000110014169 325681845 /nfs/dbraw/zinc/68/18/45/325681845.db2.gz JHPIJOLLDITXAF-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000117259235 326053533 /nfs/dbraw/zinc/05/35/33/326053533.db2.gz NXLJEBDVLWZSOY-ZDUSSCGKSA-N 0 3 360.414 2.142 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000121190272 326320258 /nfs/dbraw/zinc/32/02/58/326320258.db2.gz TXNSNNWKHXMGBZ-UHFFFAOYSA-N 0 3 365.361 2.296 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000122830151 326410780 /nfs/dbraw/zinc/41/07/80/326410780.db2.gz DGNDGPBPWPRNHI-INIZCTEOSA-N 0 3 362.430 2.078 20 5 FEBDHN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123280396 326426036 /nfs/dbraw/zinc/42/60/36/326426036.db2.gz JIFQFVZYBOTHDW-GHMZBOCLSA-N 0 3 367.349 2.162 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140077 327065146 /nfs/dbraw/zinc/06/51/46/327065146.db2.gz CFYAMMMPWUHJFW-DOMZBBRYSA-N 0 3 362.386 2.368 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000164275201 327067762 /nfs/dbraw/zinc/06/77/62/327067762.db2.gz WDGBWYUCHKODJR-OCCSQVGLSA-N 0 3 363.414 2.168 20 5 FEBDHN COc1cc(OCC(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000170684669 327094009 /nfs/dbraw/zinc/09/40/09/327094009.db2.gz SEFHYXJSBAFLCH-CQSZACIVSA-N 0 3 363.414 2.069 20 5 FEBDHN COCCCN1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171199300 327124295 /nfs/dbraw/zinc/12/42/95/327124295.db2.gz LIDDOMCGQCRKMC-CQSZACIVSA-N 0 3 364.446 2.456 20 5 FEBDHN CCN1CCN(CCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172408830 327200306 /nfs/dbraw/zinc/20/03/06/327200306.db2.gz JOMLLHHFZZQPTD-UHFFFAOYSA-N 0 3 362.474 2.061 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000173023138 327231009 /nfs/dbraw/zinc/23/10/09/327231009.db2.gz KMOHVTYGQLGCJN-JTQLQIEISA-N 0 3 359.835 2.011 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173668960 327275039 /nfs/dbraw/zinc/27/50/39/327275039.db2.gz QWSFUQBIOYMMOW-ZDUSSCGKSA-N 0 3 371.459 2.098 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173668942 327275155 /nfs/dbraw/zinc/27/51/55/327275155.db2.gz QWSFUQBIOYMMOW-CYBMUJFWSA-N 0 3 371.459 2.098 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173832190 327287476 /nfs/dbraw/zinc/28/74/76/327287476.db2.gz UVJGBTBJCCHEMD-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261606675 328804805 /nfs/dbraw/zinc/80/48/05/328804805.db2.gz ABNYELBDTMZTKQ-JKSUJKDBSA-N 0 3 361.423 2.019 20 5 FEBDHN O=C(CN1CCNC[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261613286 328805436 /nfs/dbraw/zinc/80/54/36/328805436.db2.gz CCXGQYUSBAERJA-QGZVFWFLSA-N 0 3 358.373 2.319 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264545501 329034423 /nfs/dbraw/zinc/03/44/23/329034423.db2.gz BMFJOJWUHQGTGF-MRXNPFEDSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000264606129 329040229 /nfs/dbraw/zinc/04/02/29/329040229.db2.gz OOFCNNPHEYYXOD-OAHLLOKOSA-N 0 3 362.430 2.102 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000264697749 329050250 /nfs/dbraw/zinc/05/02/50/329050250.db2.gz CHAMKVPEFSUYDM-UHFFFAOYSA-N 0 3 353.444 2.421 20 5 FEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000265953121 329176148 /nfs/dbraw/zinc/17/61/48/329176148.db2.gz NENTZODIZJNCQV-LBPRGKRZSA-N 0 3 351.403 2.026 20 5 FEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266197556 329199570 /nfs/dbraw/zinc/19/95/70/329199570.db2.gz CMYKVGSKHXHHGE-UHFFFAOYSA-N 0 3 364.402 2.074 20 5 FEBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000267465981 329330521 /nfs/dbraw/zinc/33/05/21/329330521.db2.gz LYEJKWYWQVVQPG-LLVKDONJSA-N 0 3 354.204 2.278 20 5 FEBDHN CN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267954291 329371364 /nfs/dbraw/zinc/37/13/64/329371364.db2.gz QYMODMUPVFHMBZ-UHFFFAOYSA-N 0 3 360.183 2.320 20 5 FEBDHN Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1OCCN1CCCC1 ZINC000271464320 329695847 /nfs/dbraw/zinc/69/58/47/329695847.db2.gz XPFCZUJRQFGUQP-UHFFFAOYSA-N 0 3 373.413 2.364 20 5 FEBDHN CCCN(CCN(C)C)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000478400314 561165988 /nfs/dbraw/zinc/16/59/88/561165988.db2.gz OLGCXQITFPMALI-UHFFFAOYSA-N 0 3 351.403 2.185 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160242158 546021847 /nfs/dbraw/zinc/02/18/47/546021847.db2.gz LDXXHOBATSCCNY-LRDDRELGSA-N 0 3 355.398 2.021 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000161449070 546130842 /nfs/dbraw/zinc/13/08/42/546130842.db2.gz WJUCGZXHUZNFTG-HNNXBMFYSA-N 0 3 369.487 2.177 20 5 FEBDHN C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000173683514 546285785 /nfs/dbraw/zinc/28/57/85/546285785.db2.gz YGYMLBXZSLVTKL-CABCVRRESA-N 0 3 361.446 2.267 20 5 FEBDHN Cc1c(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000480053940 561202145 /nfs/dbraw/zinc/20/21/45/561202145.db2.gz NSUXQZIGUJCQSQ-INIZCTEOSA-N 0 3 364.446 2.155 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CN1C1CC1 ZINC000177094485 546543865 /nfs/dbraw/zinc/54/38/65/546543865.db2.gz NIALHKMTZBCBHD-OCCSQVGLSA-N 0 3 355.398 2.136 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177142636 546553210 /nfs/dbraw/zinc/55/32/10/546553210.db2.gz KTDXFAVYKSMJFE-CHWSQXEVSA-N 0 3 355.398 2.136 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000177493434 546630743 /nfs/dbraw/zinc/63/07/43/546630743.db2.gz YSIUYBDEKFJNKO-CYBMUJFWSA-N 0 3 371.434 2.291 20 5 FEBDHN COCCO[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338953 546934332 /nfs/dbraw/zinc/93/43/32/546934332.db2.gz HYTRFVQVAJKOLQ-INIZCTEOSA-N 0 3 351.403 2.051 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180032085 547041720 /nfs/dbraw/zinc/04/17/20/547041720.db2.gz CBLIWEDRLNMEKY-INIZCTEOSA-N 0 3 369.487 2.273 20 5 FEBDHN COc1cnccc1N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483215239 561270742 /nfs/dbraw/zinc/27/07/42/561270742.db2.gz PQVPIZFIHVIKSZ-UHFFFAOYSA-N 0 3 358.398 2.199 20 5 FEBDHN CC(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656298 547354839 /nfs/dbraw/zinc/35/48/39/547354839.db2.gz LRABHPPYRNJZLC-XJKSGUPXSA-N 0 3 354.357 2.417 20 5 FEBDHN CN(C)CCOc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000183111107 547603067 /nfs/dbraw/zinc/60/30/67/547603067.db2.gz CXOMLLBMSBOOPH-UHFFFAOYSA-N 0 3 358.398 2.202 20 5 FEBDHN COc1cc(S(=O)(=O)NCC[C@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000183293424 547633622 /nfs/dbraw/zinc/63/36/22/547633622.db2.gz UNXWPJLPYZPUAI-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186302247 548114799 /nfs/dbraw/zinc/11/47/99/548114799.db2.gz BDOXGOMNXJCNOC-QGZVFWFLSA-N 0 3 371.441 2.223 20 5 FEBDHN COC(=O)COc1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000485954554 561333332 /nfs/dbraw/zinc/33/33/32/561333332.db2.gz UGFGGZYXDQYLRI-UHFFFAOYSA-N 0 3 374.328 2.196 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000487645078 561373180 /nfs/dbraw/zinc/37/31/80/561373180.db2.gz AWKKRTCWQZHRTB-LBPRGKRZSA-N 0 3 371.384 2.033 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246468221 549139970 /nfs/dbraw/zinc/13/99/70/549139970.db2.gz GPNWVMOLHSESLC-WMLDXEAASA-N 0 3 371.441 2.269 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000246992936 549258832 /nfs/dbraw/zinc/25/88/32/549258832.db2.gz KHYTWMHOSQBGKA-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000247129112 549289064 /nfs/dbraw/zinc/28/90/64/549289064.db2.gz NLLQNAVSYUPBRH-KSSFIOAISA-N 0 3 369.425 2.337 20 5 FEBDHN CN(C(=O)CN1CCNC[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000261718251 549746906 /nfs/dbraw/zinc/74/69/06/549746906.db2.gz KYKRQOIHEWJWRZ-SFHVURJKSA-N 0 3 372.400 2.343 20 5 FEBDHN COc1ccc(OCCN2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])c1 ZINC000268495544 550076285 /nfs/dbraw/zinc/07/62/85/550076285.db2.gz SPJNVWNWVQTGEE-UHFFFAOYSA-N 0 3 366.414 2.457 20 5 FEBDHN C[C@@H](NC(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000269703861 550218667 /nfs/dbraw/zinc/21/86/67/550218667.db2.gz MOPTYGZFIHBAGB-CQSZACIVSA-N 0 3 372.425 2.002 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000270914452 550320184 /nfs/dbraw/zinc/32/01/84/550320184.db2.gz OKAVFWHLRNWCGZ-UHFFFAOYSA-N 0 3 374.485 2.154 20 5 FEBDHN Cc1ccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000494515526 561471124 /nfs/dbraw/zinc/47/11/24/561471124.db2.gz YOHNZBXDJGRZCT-GFCCVEGCSA-N 0 3 358.398 2.109 20 5 FEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000274463532 550538896 /nfs/dbraw/zinc/53/88/96/550538896.db2.gz KGPRSMSETCZYRT-GFCCVEGCSA-N 0 3 358.398 2.451 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274510357 550541237 /nfs/dbraw/zinc/54/12/37/550541237.db2.gz XJVDWTGKRXUZBY-HNNXBMFYSA-N 0 3 362.474 2.015 20 5 FEBDHN C[C@@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468254 550674284 /nfs/dbraw/zinc/67/42/84/550674284.db2.gz PJMXNUHHFOTNPD-LSDHHAIUSA-N 0 3 364.446 2.456 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000278388151 550779980 /nfs/dbraw/zinc/77/99/80/550779980.db2.gz CQXKJOVJPOYZCS-AWEZNQCLSA-N 0 3 374.441 2.236 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000281156241 551069168 /nfs/dbraw/zinc/06/91/68/551069168.db2.gz LAAFJTAUAIFJTM-STQMWFEESA-N 0 3 366.418 2.078 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498134134 561516763 /nfs/dbraw/zinc/51/67/63/561516763.db2.gz FTRFCHRUGDXVCR-UHFFFAOYSA-N 0 3 372.425 2.326 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498321321 561522040 /nfs/dbraw/zinc/52/20/40/561522040.db2.gz FBJIUPGTVWZUFX-UHFFFAOYSA-N 0 3 367.471 2.256 20 5 FEBDHN Cc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284630967 551594504 /nfs/dbraw/zinc/59/45/04/551594504.db2.gz TZSDPUMVKUDGTK-RDTXWAMCSA-N 0 3 357.414 2.088 20 5 FEBDHN O=C(NCCNc1ccncc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498466285 561524948 /nfs/dbraw/zinc/52/49/48/561524948.db2.gz UQLGEMDCIYREJL-UHFFFAOYSA-N 0 3 363.805 2.019 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000498514806 561526465 /nfs/dbraw/zinc/52/64/65/561526465.db2.gz QHUXSRJCQIBGFX-CYBMUJFWSA-N 0 3 360.414 2.097 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000285759667 551806506 /nfs/dbraw/zinc/80/65/06/551806506.db2.gz ZJFPMLLLHKZVLM-KGLIPLIRSA-N 0 3 362.430 2.101 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285910177 551826187 /nfs/dbraw/zinc/82/61/87/551826187.db2.gz YZTFSBXIBMIRRJ-AWEZNQCLSA-N 0 3 373.413 2.150 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917172 551826962 /nfs/dbraw/zinc/82/69/62/551826962.db2.gz SSKZBQYEZHRBHD-OLZOCXBDSA-N 0 3 351.378 2.198 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286565353 551900584 /nfs/dbraw/zinc/90/05/84/551900584.db2.gz DOKICWRGPWQRDP-ZFWWWQNUSA-N 0 3 353.444 2.151 20 5 FEBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000288012882 552074821 /nfs/dbraw/zinc/07/48/21/552074821.db2.gz CAQSPDWFGJTWQI-CQSZACIVSA-N 0 3 361.402 2.138 20 5 FEBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000288012882 552074823 /nfs/dbraw/zinc/07/48/23/552074823.db2.gz CAQSPDWFGJTWQI-CQSZACIVSA-N 0 3 361.402 2.138 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360204 552140354 /nfs/dbraw/zinc/14/03/54/552140354.db2.gz KORMROJYSOSPLV-ZYHUDNBSSA-N 0 3 361.427 2.298 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNC2(CO)CCC2)c1 ZINC000289429400 552320459 /nfs/dbraw/zinc/32/04/59/552320459.db2.gz DNVKFXJZQCRMSO-UHFFFAOYSA-N 0 3 362.167 2.204 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289677954 552360517 /nfs/dbraw/zinc/36/05/17/552360517.db2.gz WWNBNONODYEPSO-HNNXBMFYSA-N 0 3 351.403 2.073 20 5 FEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCCn2cc(CO)nn2)o1 ZINC000289985923 552410010 /nfs/dbraw/zinc/41/00/10/552410010.db2.gz XEUURBMYNQBNDH-UHFFFAOYSA-N 0 3 357.370 2.119 20 5 FEBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000290328634 552461133 /nfs/dbraw/zinc/46/11/33/552461133.db2.gz CJNATZRIRJMOPO-QGZVFWFLSA-N 0 3 363.393 2.300 20 5 FEBDHN COCCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291369886 552619376 /nfs/dbraw/zinc/61/93/76/552619376.db2.gz ZLBWXIGFSQVUQP-UHFFFAOYSA-N 0 3 363.458 2.487 20 5 FEBDHN COCC1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000291756729 552658557 /nfs/dbraw/zinc/65/85/57/552658557.db2.gz QXJBUXISKZALTJ-UHFFFAOYSA-N 0 3 354.403 2.145 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292140705 552697868 /nfs/dbraw/zinc/69/78/68/552697868.db2.gz YZPCOIZCCNWKPP-HNNXBMFYSA-N 0 3 373.862 2.273 20 5 FEBDHN COCCCN1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294792874 552934539 /nfs/dbraw/zinc/93/45/39/552934539.db2.gz DKFKUJLQMVZVNP-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN COc1cc(CNC[C@@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000295033701 552952826 /nfs/dbraw/zinc/95/28/26/552952826.db2.gz DLCTUBIIHHMUQY-HNNXBMFYSA-N 0 3 364.373 2.444 20 5 FEBDHN CC[C@@H]1CCCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039553 561610453 /nfs/dbraw/zinc/61/04/53/561610453.db2.gz CIRRJFNNWQVEKY-ZIAGYGMSSA-N 0 3 355.460 2.432 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])cc1F ZINC000295543576 553023620 /nfs/dbraw/zinc/02/36/20/553023620.db2.gz IHNMMHGGQVKRIQ-KRWDZBQOSA-N 0 3 351.378 2.300 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000295635532 553036888 /nfs/dbraw/zinc/03/68/88/553036888.db2.gz ZQVXBJHKMQQSNT-GOSISDBHSA-N 0 3 355.398 2.153 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000297851846 553347441 /nfs/dbraw/zinc/34/74/41/553347441.db2.gz SCVNGTVYHFIXQI-UHFFFAOYSA-N 0 3 369.328 2.207 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000503424075 561641071 /nfs/dbraw/zinc/64/10/71/561641071.db2.gz FJIBUMIEGSSMCU-LSDHHAIUSA-N 0 3 369.487 2.320 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000298828544 553478186 /nfs/dbraw/zinc/47/81/86/553478186.db2.gz GUIRTWUZKAUHHO-GJZGRUSLSA-N 0 3 374.441 2.235 20 5 FEBDHN C[C@H](NCCC(=O)Nc1sccc1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000299623441 553590785 /nfs/dbraw/zinc/59/07/85/553590785.db2.gz JOWAGTYKRSLKQG-JTQLQIEISA-N 0 3 362.411 2.435 20 5 FEBDHN COCCN(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000505485833 561671874 /nfs/dbraw/zinc/67/18/74/561671874.db2.gz FTJITOAKVZXSBG-OAHLLOKOSA-N 0 3 360.414 2.362 20 5 FEBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976188 553763219 /nfs/dbraw/zinc/76/32/19/553763219.db2.gz FLYZUXAHQTVOSJ-NXEZZACHSA-N 0 3 369.219 2.061 20 5 FEBDHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087411 561751123 /nfs/dbraw/zinc/75/11/23/561751123.db2.gz JBSMYJIOYSPHNC-AWEZNQCLSA-N 0 3 368.503 2.453 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330750462 554166629 /nfs/dbraw/zinc/16/66/29/554166629.db2.gz ATTHZPWQHNQGER-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331177195 554226305 /nfs/dbraw/zinc/22/63/05/554226305.db2.gz KEUMPOSVASZSPY-VBNZEHGJSA-N 0 3 355.460 2.414 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@H]3CCCCN3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332472573 554452476 /nfs/dbraw/zinc/45/24/76/554452476.db2.gz KLDDFOQOLJVKQF-ZIAGYGMSSA-N 0 3 362.430 2.101 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)CNCC3)cc1OC ZINC000360811048 554891021 /nfs/dbraw/zinc/89/10/21/554891021.db2.gz NMHANXIPPYEUKH-UHFFFAOYSA-N 0 3 372.381 2.295 20 5 FEBDHN Cc1ccccc1CN1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000361178742 554908368 /nfs/dbraw/zinc/90/83/68/554908368.db2.gz GDULDYCOMLBFON-UHFFFAOYSA-N 0 3 370.453 2.273 20 5 FEBDHN CCOc1ccccc1C1=CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363273690 555069132 /nfs/dbraw/zinc/06/91/32/555069132.db2.gz STCDHYCMJJJWSH-QGZVFWFLSA-N 0 3 372.425 2.340 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000363679533 555162465 /nfs/dbraw/zinc/16/24/65/555162465.db2.gz VPNKHRZRGODTEW-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000363781771 555185178 /nfs/dbraw/zinc/18/51/78/555185178.db2.gz SPGULRQGSYSQIM-SJLPKXTDSA-N 0 3 357.410 2.294 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364213832 555271719 /nfs/dbraw/zinc/27/17/19/555271719.db2.gz QWBGVVYUDOFYHU-GJZGRUSLSA-N 0 3 359.357 2.309 20 5 FEBDHN O=C1Nc2ccccc2[C@]12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451233 555316608 /nfs/dbraw/zinc/31/66/08/555316608.db2.gz XMDLDGNAIYCKNU-IEBWSBKVSA-N 0 3 353.378 2.224 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000364855651 555416214 /nfs/dbraw/zinc/41/62/14/555416214.db2.gz IRHDFHRHWILMGQ-HNNXBMFYSA-N 0 3 364.450 2.012 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1 ZINC000365019250 555465782 /nfs/dbraw/zinc/46/57/82/555465782.db2.gz MXVNPVMXAUZVDH-GFCCVEGCSA-N 0 3 373.862 2.415 20 5 FEBDHN NC(=O)c1ccc(CN2CCC[C@@]2(CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000365149887 555496047 /nfs/dbraw/zinc/49/60/47/555496047.db2.gz HWIQPWLFGVHOEU-FQEVSTJZSA-N 0 3 369.421 2.263 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365841382 555680670 /nfs/dbraw/zinc/68/06/70/555680670.db2.gz AXSQOJGNTGKBGP-UHFFFAOYSA-N 0 3 374.401 2.711 20 5 FEBDHN C[C@@H](C(=O)N1CCCN(CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366672665 555905326 /nfs/dbraw/zinc/90/53/26/555905326.db2.gz FBZQYCJSTZUNIV-CYBMUJFWSA-N 0 3 367.421 2.143 20 5 FEBDHN Cc1ccn(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000366766111 555928582 /nfs/dbraw/zinc/92/85/82/555928582.db2.gz XDIRKNVLEGXMCE-QGZVFWFLSA-N 0 3 360.414 2.177 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366825721 555944649 /nfs/dbraw/zinc/94/46/49/555944649.db2.gz QXRSAMJFYBEMPV-UHFFFAOYSA-N 0 3 353.444 2.091 20 5 FEBDHN CC[C@@H](C)Oc1cc(C)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856333 561983481 /nfs/dbraw/zinc/98/34/81/561983481.db2.gz XVPFQXOXUQBASB-RHSMWYFYSA-N 0 3 362.430 2.428 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367713936 556121298 /nfs/dbraw/zinc/12/12/98/556121298.db2.gz XGRIAQIDICPNLG-OAHLLOKOSA-N 0 3 363.395 2.202 20 5 FEBDHN O=C(CCN[C@@H](CO)Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000515383291 562008365 /nfs/dbraw/zinc/00/83/65/562008365.db2.gz APTXSVXHHZZBRV-OAHLLOKOSA-N 0 3 361.373 2.256 20 5 FEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369062212 556493551 /nfs/dbraw/zinc/49/35/51/556493551.db2.gz GYVQRELVAVXKNE-UHFFFAOYSA-N 0 3 360.458 2.113 20 5 FEBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](N2CCCC2)C1 ZINC000369102976 556506041 /nfs/dbraw/zinc/50/60/41/556506041.db2.gz KTDUBDLNTAUZKI-ZDUSSCGKSA-N 0 3 361.398 2.066 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1Cn1ccnn1 ZINC000369378005 556585085 /nfs/dbraw/zinc/58/50/85/556585085.db2.gz DIRFPYUOQIKNMW-MRXNPFEDSA-N 0 3 372.429 2.378 20 5 FEBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369669214 556664257 /nfs/dbraw/zinc/66/42/57/556664257.db2.gz YATMPIHWUYFLOA-UHFFFAOYSA-N 0 3 355.822 2.433 20 5 FEBDHN Cc1cccc(C)c1OC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369671692 556664974 /nfs/dbraw/zinc/66/49/74/556664974.db2.gz VKWCZIJZNIEADG-QGZVFWFLSA-N 0 3 374.441 2.485 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000370001311 556754608 /nfs/dbraw/zinc/75/46/08/556754608.db2.gz WGWKVVLHLPFCIF-KGLIPLIRSA-N 0 3 365.434 2.265 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689122 556940685 /nfs/dbraw/zinc/94/06/85/556940685.db2.gz KBGVKHFOBRDKAV-MSOLQXFVSA-N 0 3 374.441 2.132 20 5 FEBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336587 557152076 /nfs/dbraw/zinc/15/20/76/557152076.db2.gz RVHVUXYQHNIRAE-RDJZCZTQSA-N 0 3 360.414 2.295 20 5 FEBDHN CN1CCC2(CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000371360144 557159950 /nfs/dbraw/zinc/15/99/50/557159950.db2.gz CEGRKTIARSSEEO-UHFFFAOYSA-N 0 3 351.378 2.200 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000371362073 557160707 /nfs/dbraw/zinc/16/07/07/557160707.db2.gz WWYMABLENHGXRX-UHFFFAOYSA-N 0 3 369.425 2.481 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000517454882 562090643 /nfs/dbraw/zinc/09/06/43/562090643.db2.gz IYYIDZBCNZHOKH-HNNXBMFYSA-N 0 3 360.458 2.269 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000373154633 557639993 /nfs/dbraw/zinc/63/99/93/557639993.db2.gz SYUVYPPUMQLBGH-GFCCVEGCSA-N 0 3 361.427 2.300 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373234459 557655183 /nfs/dbraw/zinc/65/51/83/557655183.db2.gz YKSCNWCQJUIDCN-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FEBDHN CN1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000373289329 557666036 /nfs/dbraw/zinc/66/60/36/557666036.db2.gz QDXGEVMMCODEON-ABAIWWIYSA-N 0 3 361.427 2.288 20 5 FEBDHN CC(=O)c1ccc(NC2CCN(CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000520243575 562151665 /nfs/dbraw/zinc/15/16/65/562151665.db2.gz VHZSMEAQDHUCGE-UHFFFAOYSA-N 0 3 362.430 2.152 20 5 FEBDHN CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000520365612 562154462 /nfs/dbraw/zinc/15/44/62/562154462.db2.gz VOQAXTZIKXKXGA-INIZCTEOSA-N 0 3 369.425 2.304 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373809617 557764246 /nfs/dbraw/zinc/76/42/46/557764246.db2.gz JVCKAHRIFDJRGP-KDOFPFPSSA-N 0 3 363.414 2.193 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000374871256 557944234 /nfs/dbraw/zinc/94/42/34/557944234.db2.gz CPUKKCLBBMETKG-RDTXWAMCSA-N 0 3 360.458 2.378 20 5 FEBDHN O=C(c1cc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556451 558048113 /nfs/dbraw/zinc/04/81/13/558048113.db2.gz GWTHREZWGCYTHZ-JKSUJKDBSA-N 0 3 374.441 2.106 20 5 FEBDHN CC(C)CN1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000376495957 558181019 /nfs/dbraw/zinc/18/10/19/558181019.db2.gz SRGJWOXRIFIRII-UHFFFAOYSA-N 0 3 374.445 2.344 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2NCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000377086615 558263143 /nfs/dbraw/zinc/26/31/43/558263143.db2.gz NNWUONCWYHMIQD-OAHLLOKOSA-N 0 3 371.393 2.229 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378118390 558485034 /nfs/dbraw/zinc/48/50/34/558485034.db2.gz ZVZAKQKOCIXOLT-IBGZPJMESA-N 0 3 374.485 2.154 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378501293 558570748 /nfs/dbraw/zinc/57/07/48/558570748.db2.gz ZCPMMIGKNSBHCV-HNNXBMFYSA-N 0 3 369.368 2.056 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1C ZINC000408059538 558641838 /nfs/dbraw/zinc/64/18/38/558641838.db2.gz QKJXXEQCYMNTKH-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000409720973 558716727 /nfs/dbraw/zinc/71/67/27/558716727.db2.gz JQXWGYOEIDBJFQ-ZDUSSCGKSA-N 0 3 367.471 2.139 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411132427 558842677 /nfs/dbraw/zinc/84/26/77/558842677.db2.gz JYXAQRUYBPOTKD-ZIAGYGMSSA-N 0 3 362.430 2.221 20 5 FEBDHN O=C(CCN1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279093 558867192 /nfs/dbraw/zinc/86/71/92/558867192.db2.gz PFLVKCZAYSOJFJ-OCCSQVGLSA-N 0 3 361.320 2.311 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnccc2N2CCN(C)CC2)c1 ZINC000525657806 562251593 /nfs/dbraw/zinc/25/15/93/562251593.db2.gz ASBBBZULYUWXPB-UHFFFAOYSA-N 0 3 355.398 2.302 20 5 FEBDHN COc1ccc(CN2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686538 562252162 /nfs/dbraw/zinc/25/21/62/562252162.db2.gz RQRPRQINTCDBNI-KRWDZBQOSA-N 0 3 362.474 2.204 20 5 FEBDHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755316 558956917 /nfs/dbraw/zinc/95/69/17/558956917.db2.gz IKGVXSZKRIZIJH-FZKQIMNGSA-N 0 3 370.409 2.171 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411929985 558990060 /nfs/dbraw/zinc/99/00/60/558990060.db2.gz YKZAEGZXWSSFSW-JZXOWHBKSA-N 0 3 358.394 2.142 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411929984 558990191 /nfs/dbraw/zinc/99/01/91/558990191.db2.gz YKZAEGZXWSSFSW-JFIYKMOQSA-N 0 3 358.394 2.142 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H](N3CCCCC3)C2)c1F ZINC000412100888 559013833 /nfs/dbraw/zinc/01/38/33/559013833.db2.gz IUMPPUNAZIVAEZ-CYBMUJFWSA-N 0 3 365.405 2.372 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCCN(C(C)C)C2)c1F ZINC000413709432 559126198 /nfs/dbraw/zinc/12/61/98/559126198.db2.gz GAAYMZNRZIGBCI-LBPRGKRZSA-N 0 3 353.394 2.274 20 5 FEBDHN Cc1c(CS(=O)(=O)C2C[C@@H]3CCCC[C@@H]3NC2=O)cccc1[N+](=O)[O-] ZINC000414421083 559163022 /nfs/dbraw/zinc/16/30/22/559163022.db2.gz XFZRNYYMSBNPBE-DUVNUKRYSA-N 0 3 366.439 2.265 20 5 FEBDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000415384445 559229670 /nfs/dbraw/zinc/22/96/70/559229670.db2.gz TVLRLYURRFEYDY-QGZVFWFLSA-N 0 3 370.409 2.473 20 5 FEBDHN C[C@@]1(O)C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000418104155 559390141 /nfs/dbraw/zinc/39/01/41/559390141.db2.gz JWVQWTCNIJRXLP-KLPPZKSPSA-N 0 3 362.167 2.202 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421770637 559552793 /nfs/dbraw/zinc/55/27/93/559552793.db2.gz KNQYTTMKTZKMKW-UHFFFAOYSA-N 0 3 362.474 2.359 20 5 FEBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425548548 559709209 /nfs/dbraw/zinc/70/92/09/559709209.db2.gz NBAPICSUOKJQKO-PWSUYJOCSA-N 0 3 355.358 2.313 20 5 FEBDHN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428555759 559778166 /nfs/dbraw/zinc/77/81/66/559778166.db2.gz ZKGNKKPBRNAHBF-INIZCTEOSA-N 0 3 370.409 2.212 20 5 FEBDHN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428555760 559778277 /nfs/dbraw/zinc/77/82/77/559778277.db2.gz ZKGNKKPBRNAHBF-MRXNPFEDSA-N 0 3 370.409 2.212 20 5 FEBDHN COc1cc(NCC(=O)NCCN2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000431489734 559840185 /nfs/dbraw/zinc/84/01/85/559840185.db2.gz ZTIBCOYVTGDGOE-UHFFFAOYSA-N 0 3 368.409 2.147 20 5 FEBDHN C[C@@H]1CN(CCN(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000434695413 559906100 /nfs/dbraw/zinc/90/61/00/559906100.db2.gz PRGUHMGWAXNQKA-IYBDPMFKSA-N 0 3 351.447 2.405 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000436717336 559949757 /nfs/dbraw/zinc/94/97/57/559949757.db2.gz BSCJCLQWYWNFQB-INIZCTEOSA-N 0 3 371.441 2.399 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438945292 559985938 /nfs/dbraw/zinc/98/59/38/559985938.db2.gz GEOMTFODBSJLHX-OAHLLOKOSA-N 0 3 355.460 2.384 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000440420633 560010738 /nfs/dbraw/zinc/01/07/38/560010738.db2.gz NAMYVGFFAHCSMA-LLVKDONJSA-N 0 3 365.411 2.102 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CCO)CCCCC1 ZINC000440897494 560019357 /nfs/dbraw/zinc/01/93/57/560019357.db2.gz ROUHPWRTRFONGD-UHFFFAOYSA-N 0 3 351.403 2.217 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000441277637 560027711 /nfs/dbraw/zinc/02/77/11/560027711.db2.gz NFHQUTCFCMZTPH-WPGHFRTFSA-N 0 3 351.403 2.478 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443765909 560092097 /nfs/dbraw/zinc/09/20/97/560092097.db2.gz TZYLUFWWPMNYPF-HIFRSBDPSA-N 0 3 355.460 2.229 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000446901094 560153360 /nfs/dbraw/zinc/15/33/60/560153360.db2.gz ACIICBGICIAUDF-BZBRXENKSA-N 0 3 356.426 2.440 20 5 FEBDHN COCCO[C@@H]1C[C@H](CO)CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000447078668 560156256 /nfs/dbraw/zinc/15/62/56/560156256.db2.gz UYIBHQIRYAZMST-KRRMLOMWSA-N 0 3 364.442 2.344 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000448036157 560176362 /nfs/dbraw/zinc/17/63/62/560176362.db2.gz WBIVUBYQAYWDTM-MRXNPFEDSA-N 0 3 363.462 2.426 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096236 560250639 /nfs/dbraw/zinc/25/06/39/560250639.db2.gz GOCDAFRVMGKSFQ-UKRRQHHQSA-N 0 3 357.414 2.239 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@]1(N(C)C)CCSC1 ZINC000450365280 560259980 /nfs/dbraw/zinc/25/99/80/560259980.db2.gz NNQVLXZLOZJZGD-KRWDZBQOSA-N 0 3 362.455 2.423 20 5 FEBDHN Cc1cc(N[C@H](CO)CN2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450522373 560265022 /nfs/dbraw/zinc/26/50/22/560265022.db2.gz XGASVVZUESWRIG-INIZCTEOSA-N 0 3 371.441 2.041 20 5 FEBDHN CCOC(=O)[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000450574286 560266585 /nfs/dbraw/zinc/26/65/85/560266585.db2.gz ZOZBOJAGYSEBHY-HNNXBMFYSA-N 0 3 371.393 2.467 20 5 FEBDHN CCOC(=O)c1cc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450602020 560267670 /nfs/dbraw/zinc/26/76/70/560267670.db2.gz ZLZYLNRAHXWFCT-CQSZACIVSA-N 0 3 351.403 2.030 20 5 FEBDHN CC[C@@H](C)N1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450859557 560276032 /nfs/dbraw/zinc/27/60/32/560276032.db2.gz MZXTYVPALZVGNN-MRXNPFEDSA-N 0 3 362.474 2.348 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000451022478 560282940 /nfs/dbraw/zinc/28/29/40/560282940.db2.gz IGPZTUFKXNKMOD-UHFFFAOYSA-N 0 3 361.423 2.408 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475612 560309283 /nfs/dbraw/zinc/30/92/83/560309283.db2.gz CLWSAJFIXHVAFF-IAGOWNOFSA-N 0 3 359.426 2.421 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]21 ZINC000451482694 560309751 /nfs/dbraw/zinc/30/97/51/560309751.db2.gz WRESJEOOCHBSHH-OLMNPRSZSA-N 0 3 359.426 2.277 20 5 FEBDHN CCN1CCC(NC(=O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557829 560314534 /nfs/dbraw/zinc/31/45/34/560314534.db2.gz FKEQCGNUHWEOOE-QGZVFWFLSA-N 0 3 374.485 2.375 20 5 FEBDHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451589794 560316280 /nfs/dbraw/zinc/31/62/80/560316280.db2.gz WLITXVWUKAVABA-PMPSAXMXSA-N 0 3 361.398 2.022 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689356 560322152 /nfs/dbraw/zinc/32/21/52/560322152.db2.gz MBISGERQRPIADB-GOEBONIOSA-N 0 3 369.425 2.479 20 5 FEBDHN CO[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845653 560332084 /nfs/dbraw/zinc/33/20/84/560332084.db2.gz ITQOLMIEAJCNRA-KBRIMQKVSA-N 0 3 350.415 2.224 20 5 FEBDHN O=C(CCN1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882287 560334315 /nfs/dbraw/zinc/33/43/15/560334315.db2.gz CMUPSPDAHFIIGL-YGRLFVJLSA-N 0 3 361.320 2.169 20 5 FEBDHN O=C(CCN1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890515 560334935 /nfs/dbraw/zinc/33/49/35/560334935.db2.gz NIYZVFBKHMZVGZ-IINYFYTJSA-N 0 3 361.320 2.169 20 5 FEBDHN CCn1cc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000451898246 560335592 /nfs/dbraw/zinc/33/55/92/560335592.db2.gz VFCPEJJJDNLAOO-GFCCVEGCSA-N 0 3 361.402 2.499 20 5 FEBDHN CNc1nc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915705 560500038 /nfs/dbraw/zinc/50/00/38/560500038.db2.gz NLOGKJOBNBOGTB-HIFRSBDPSA-N 0 3 369.425 2.424 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457082887 560547497 /nfs/dbraw/zinc/54/74/97/560547497.db2.gz FNWFBZJXMFVXPL-HNNXBMFYSA-N 0 3 357.414 2.335 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492092 560689418 /nfs/dbraw/zinc/68/94/18/560689418.db2.gz ZQLMLXCXVOBRJY-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CC1)OCCc1ccccc12 ZINC000459529058 560692360 /nfs/dbraw/zinc/69/23/60/560692360.db2.gz RAROSTHHKWHHFE-UHFFFAOYSA-N 0 3 369.421 2.321 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](CO)[C@H](O)C3)o2)c(Cl)c1 ZINC000459674111 560701453 /nfs/dbraw/zinc/70/14/53/560701453.db2.gz BOXMPZRRRKJDKK-MEBBXXQBSA-N 0 3 352.774 2.293 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000460914896 560755527 /nfs/dbraw/zinc/75/55/27/560755527.db2.gz RNLLRBFLYCSJGI-UHFFFAOYSA-N 0 3 357.476 2.478 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460913812 560755536 /nfs/dbraw/zinc/75/55/36/560755536.db2.gz OCAMWQUBHYIQIW-UHFFFAOYSA-N 0 3 357.476 2.478 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2COCC[C@H]21 ZINC000464858492 560853541 /nfs/dbraw/zinc/85/35/41/560853541.db2.gz WWJBHZTULRILPL-XJKSGUPXSA-N 0 3 363.414 2.433 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000470151735 560975579 /nfs/dbraw/zinc/97/55/79/560975579.db2.gz JUGIKMHTZRTNNN-LBPRGKRZSA-N 0 3 354.382 2.356 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370620 561072465 /nfs/dbraw/zinc/07/24/65/561072465.db2.gz LAAANFOSCCYNAR-CABCVRRESA-N 0 3 352.387 2.050 20 5 FEBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000474936447 561085808 /nfs/dbraw/zinc/08/58/08/561085808.db2.gz WDTWWELPTWUNMV-LBPRGKRZSA-N 0 3 358.485 2.490 20 5 FEBDHN COc1c(C(=O)NCc2ccccc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000475387004 561095939 /nfs/dbraw/zinc/09/59/39/561095939.db2.gz KZNBVBAWBFJSBD-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000476351538 561117372 /nfs/dbraw/zinc/11/73/72/561117372.db2.gz DEUFXCJBDQXXMW-LBPRGKRZSA-N 0 3 363.443 2.032 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CCN(C)C ZINC000530880287 562427175 /nfs/dbraw/zinc/42/71/75/562427175.db2.gz GPOPYMFKVUZQTO-CQSZACIVSA-N 0 3 368.503 2.027 20 5 FEBDHN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000532581369 562482144 /nfs/dbraw/zinc/48/21/44/562482144.db2.gz WJMLSJAGKYKSCT-CQSZACIVSA-N 0 3 362.430 2.101 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000533023665 562495884 /nfs/dbraw/zinc/49/58/84/562495884.db2.gz RJAMUNMPLPDHQM-UHFFFAOYSA-N 0 3 365.430 2.094 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534245880 562528366 /nfs/dbraw/zinc/52/83/66/562528366.db2.gz BWRYVWLTOWRSPN-UHFFFAOYSA-N 0 3 360.414 2.259 20 5 FEBDHN CN(C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccn1 ZINC000545779489 562630157 /nfs/dbraw/zinc/63/01/57/562630157.db2.gz DZSMQZVJJHEPKM-UHFFFAOYSA-N 0 3 356.342 2.042 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC2(C1)CCN(C)CC2 ZINC000603383873 568094307 /nfs/dbraw/zinc/09/43/07/568094307.db2.gz PEWSTEZICNCSTR-UHFFFAOYSA-N 0 3 367.471 2.318 20 5 FEBDHN O=C(CCNCc1cccc(N2CCC2=O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000568977375 568257101 /nfs/dbraw/zinc/25/71/01/568257101.db2.gz WDUIYVRCKIRZOV-UHFFFAOYSA-N 0 3 368.393 2.450 20 5 FEBDHN C[C@@H](C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569289452 568337757 /nfs/dbraw/zinc/33/77/57/568337757.db2.gz IGYLZSATOHCWKD-MRXNPFEDSA-N 0 3 374.485 2.184 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000570626327 568492007 /nfs/dbraw/zinc/49/20/07/568492007.db2.gz HLVMIFCBQRAMBH-JTNHKYCSSA-N 0 3 354.769 2.090 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000570758630 568511260 /nfs/dbraw/zinc/51/12/60/568511260.db2.gz SWSFTISUWQONQU-YXJHDRRASA-N 0 3 374.441 2.078 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027550 674479917 /nfs/dbraw/zinc/47/99/17/674479917.db2.gz YTMZRYZTVUJWSD-MISXGVKJSA-N 0 3 350.394 2.118 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027552 674479932 /nfs/dbraw/zinc/47/99/32/674479932.db2.gz YTMZRYZTVUJWSD-WDMOLILDSA-N 0 3 350.394 2.118 20 5 FEBDHN COc1ccc(CNC[C@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000559603072 674549326 /nfs/dbraw/zinc/54/93/26/674549326.db2.gz AZNGBJJTUJNJRB-ZDUSSCGKSA-N 0 3 352.412 2.332 20 5 FEBDHN CC[N@@H+]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452086 608371540 /nfs/dbraw/zinc/37/15/40/608371540.db2.gz NAJPWPRWIFVIIV-NSHDSACASA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@H+]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452086 608371542 /nfs/dbraw/zinc/37/15/42/608371542.db2.gz NAJPWPRWIFVIIV-NSHDSACASA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@@H+]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452086 608371544 /nfs/dbraw/zinc/37/15/44/608371544.db2.gz NAJPWPRWIFVIIV-NSHDSACASA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@H+]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452086 608371546 /nfs/dbraw/zinc/37/15/46/608371546.db2.gz NAJPWPRWIFVIIV-NSHDSACASA-N 0 3 368.401 2.219 20 5 FEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1I ZINC000813102149 674719639 /nfs/dbraw/zinc/71/96/39/674719639.db2.gz BWTMAWONJNPERG-SSDOTTSWSA-N 0 3 365.123 2.122 20 5 FEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000813509295 674754169 /nfs/dbraw/zinc/75/41/69/674754169.db2.gz WXBJUOZQJJUQCJ-KRWDZBQOSA-N 0 3 350.394 2.087 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000564356902 675000508 /nfs/dbraw/zinc/00/05/08/675000508.db2.gz KVHCTOIWDPBLGJ-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3cccc(F)c3Cl)C[C@H]2C1 ZINC001048814705 675015594 /nfs/dbraw/zinc/01/55/94/675015594.db2.gz YQCMBBOOLPENTO-QVHKTLOISA-N 0 3 367.808 2.035 20 5 FEBDHN Cc1cccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000065978431 670435921 /nfs/dbraw/zinc/43/59/21/670435921.db2.gz MDBWAXWKGXMELW-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCOC)CCN(C)C ZINC000578991007 671704314 /nfs/dbraw/zinc/70/43/14/671704314.db2.gz HOXRZDKIMJLDTM-UHFFFAOYSA-N 0 3 355.460 2.357 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000580356527 671800026 /nfs/dbraw/zinc/80/00/26/671800026.db2.gz JZOXRWIOPDJQCF-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000610135308 675956165 /nfs/dbraw/zinc/95/61/65/675956165.db2.gz PLMNXMXWPUCKQE-RYUDHWBXSA-N 0 3 359.423 2.227 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000610135396 675956306 /nfs/dbraw/zinc/95/63/06/675956306.db2.gz RCWVQNIBOYHXMA-KGLIPLIRSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000610135259 675956374 /nfs/dbraw/zinc/95/63/74/675956374.db2.gz NXGHOGJUBHNIIG-STQMWFEESA-N 0 3 371.459 2.097 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000132309671 672096935 /nfs/dbraw/zinc/09/69/35/672096935.db2.gz UGLKHOFNOGPSNP-UHFFFAOYSA-N 0 3 373.450 2.443 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447662 672583388 /nfs/dbraw/zinc/58/33/88/672583388.db2.gz ZCRQIEAYFWQJBQ-NOZJJQNGSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591984339 672728904 /nfs/dbraw/zinc/72/89/04/672728904.db2.gz FANXFGBWFFNFEV-SNVBAGLBSA-N 0 3 360.336 2.170 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1 ZINC000592242172 672776175 /nfs/dbraw/zinc/77/61/75/672776175.db2.gz QCINXVUMLPQLFI-CYBMUJFWSA-N 0 3 356.220 2.427 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)cc1SC ZINC000592241939 672776218 /nfs/dbraw/zinc/77/62/18/672776218.db2.gz LXFVEHXUUVYFJT-GFCCVEGCSA-N 0 3 353.444 2.395 20 5 FEBDHN [NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381052 672794983 /nfs/dbraw/zinc/79/49/83/672794983.db2.gz ZJHAEEQBNSPEQC-ZJUUUORDSA-N 0 3 367.349 2.162 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000592543754 672812736 /nfs/dbraw/zinc/81/27/36/672812736.db2.gz HOVODIWEEORKJO-CYBMUJFWSA-N 0 3 355.822 2.474 20 5 FEBDHN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044372 673024776 /nfs/dbraw/zinc/02/47/76/673024776.db2.gz QTCIVGUGVWNPTM-XJKSGUPXSA-N 0 3 351.403 2.479 20 5 FEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032992 673187802 /nfs/dbraw/zinc/18/78/02/673187802.db2.gz OLIWNWFUQOWSRE-YLQAJVPDSA-N 0 3 354.403 2.075 20 5 FEBDHN CC(C)(C)O[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596070216 673355791 /nfs/dbraw/zinc/35/57/91/673355791.db2.gz OSWSUZCOQUXNSB-MQMHXKEQSA-N 0 3 356.444 2.304 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348630 673535463 /nfs/dbraw/zinc/53/54/63/673535463.db2.gz RNOYGKSJMYGBES-KGLIPLIRSA-N 0 3 350.419 2.066 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603475 673588546 /nfs/dbraw/zinc/58/85/46/673588546.db2.gz UKSUBNUXVSBKJD-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CN1CCN(CC2CN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599104434 673633491 /nfs/dbraw/zinc/63/34/91/673633491.db2.gz BMPRYYIPVSQGKJ-UHFFFAOYSA-N 0 3 369.263 2.041 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000546198722 673796740 /nfs/dbraw/zinc/79/67/40/673796740.db2.gz WOOXZGQIBHNIMZ-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601356611 673847616 /nfs/dbraw/zinc/84/76/16/673847616.db2.gz SJPUQRBKWKVQIC-CMPLNLGQSA-N 0 3 361.489 2.316 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000601956373 673900105 /nfs/dbraw/zinc/90/01/05/673900105.db2.gz RCBKGRHAGALJDE-KRWDZBQOSA-N 0 3 352.431 2.098 20 5 FEBDHN CCOC(=O)[C@@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCCOC1 ZINC000602742889 673910717 /nfs/dbraw/zinc/91/07/17/673910717.db2.gz UMQFMEZPTFYGJV-QGZVFWFLSA-N 0 3 352.387 2.053 20 5 FEBDHN CC(C)Oc1nc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000566484157 675217908 /nfs/dbraw/zinc/21/79/08/675217908.db2.gz IYCKCRSBKOBMHO-UHFFFAOYSA-N 0 3 350.419 2.078 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818938333 675244244 /nfs/dbraw/zinc/24/42/44/675244244.db2.gz VCPIZYLDXYGBLX-UHFFFAOYSA-N 0 3 353.329 2.083 20 5 FEBDHN COC(=O)C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754536014 680361823 /nfs/dbraw/zinc/36/18/23/680361823.db2.gz BPHYBNPPQGKWHF-LLVKDONJSA-N 0 3 355.778 2.118 20 5 FEBDHN O=C(NCC1CCN(Cc2cc(O)ccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001401095 680460391 /nfs/dbraw/zinc/46/03/91/680460391.db2.gz YPPUWNXDVSYFMR-GDBMZVCRSA-N 0 3 367.833 2.039 20 5 FEBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCNC[C@](C)(F)C1 ZINC000843388405 681000796 /nfs/dbraw/zinc/00/07/96/681000796.db2.gz YAWWRCKUDGUGRQ-BONVTDFDSA-N 0 3 358.801 2.209 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932704428 681292086 /nfs/dbraw/zinc/29/20/86/681292086.db2.gz UXRWOXXILASXDR-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000775999195 681355833 /nfs/dbraw/zinc/35/58/33/681355833.db2.gz HRNWAKXZOXNZRW-KGLIPLIRSA-N 0 3 372.878 2.164 20 5 FEBDHN CN(CCCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584740 681411210 /nfs/dbraw/zinc/41/12/10/681411210.db2.gz PSLGATGZKATQTH-HNNXBMFYSA-N 0 3 353.419 2.475 20 5 FEBDHN Nc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000854496105 682558641 /nfs/dbraw/zinc/55/86/41/682558641.db2.gz DWPYFVPXVGLVFE-NXEZZACHSA-N 0 3 363.292 2.100 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000854643861 682574329 /nfs/dbraw/zinc/57/43/29/682574329.db2.gz ZJDMWAVLHSNAOO-GDBMZVCRSA-N 0 3 367.833 2.492 20 5 FEBDHN COc1ccc(CSCC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451743 683453971 /nfs/dbraw/zinc/45/39/71/683453971.db2.gz GNQUZPOTAVYHEN-DGCLKSJQSA-N 0 3 353.444 2.045 20 5 FEBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000929212164 683562813 /nfs/dbraw/zinc/56/28/13/683562813.db2.gz NWNONXWUBPYVDR-KBPBESRZSA-N 0 3 368.821 2.311 20 5 FEBDHN C[C@H]1COC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643425 683760231 /nfs/dbraw/zinc/76/02/31/683760231.db2.gz YDQHAYNXICRMGR-QPUJVOFHSA-N 0 3 362.167 2.324 20 5 FEBDHN COc1cc(CN[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000922876389 683796324 /nfs/dbraw/zinc/79/63/24/683796324.db2.gz VMUQSGHRUCECCO-XGHVKYEFSA-N 0 3 352.387 2.384 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000931186299 683849765 /nfs/dbraw/zinc/84/97/65/683849765.db2.gz LVCIALXIKHKCFF-QWHCGFSZSA-N 0 3 367.833 2.160 20 5 FEBDHN CN(C)S(=O)(=O)C1(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000886737133 688298649 /nfs/dbraw/zinc/29/86/49/688298649.db2.gz UBZISJABMAATBY-OAHLLOKOSA-N 0 3 367.471 2.331 20 5 FEBDHN COc1c(O)ccc(CNCCCN(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000892579682 689214459 /nfs/dbraw/zinc/21/44/59/689214459.db2.gz UJSSNDSXTKHKLV-UHFFFAOYSA-N 0 3 351.325 2.283 20 5 FEBDHN COc1c([O-])ccc(C[NH2+]CCCN(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000892579682 689214461 /nfs/dbraw/zinc/21/44/61/689214461.db2.gz UJSSNDSXTKHKLV-UHFFFAOYSA-N 0 3 351.325 2.283 20 5 FEBDHN CN(C)CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC000898018111 690115520 /nfs/dbraw/zinc/11/55/20/690115520.db2.gz ZGIPTOUOQLLKAI-UHFFFAOYSA-N 0 3 371.235 2.106 20 5 FEBDHN COc1cc([C@@H](C)NC[C@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140997 690850676 /nfs/dbraw/zinc/85/06/76/690850676.db2.gz JNRHBJQJPAKMKI-WBMJQRKESA-N 0 3 352.387 2.176 20 5 FEBDHN COc1cc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc([N+](=O)[O-])c1 ZINC000903225606 690869360 /nfs/dbraw/zinc/86/93/60/690869360.db2.gz HDJGMRCDTXXMHV-DTMRBDBOSA-N 0 3 354.428 2.362 20 5 FEBDHN COC1CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906930975 691346731 /nfs/dbraw/zinc/34/67/31/691346731.db2.gz SXTKLRVDPZRZST-UHFFFAOYSA-N 0 3 369.849 2.408 20 5 FEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000910280328 691910559 /nfs/dbraw/zinc/91/05/59/691910559.db2.gz QLLXRFKCEOJDBY-GFCCVEGCSA-N 0 3 352.410 2.356 20 5 FEBDHN COC(=O)c1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026321680 539782934 /nfs/dbraw/zinc/78/29/34/539782934.db2.gz KYHUFTBUIIMYFJ-KRWDZBQOSA-N 0 3 374.393 2.253 20 5 FEBDHN NC(=O)c1ccc(NCC2(N3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000029620750 539858947 /nfs/dbraw/zinc/85/89/47/539858947.db2.gz QUYYBCDKXMGIMG-UHFFFAOYSA-N 0 3 364.471 2.467 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000031465666 539908597 /nfs/dbraw/zinc/90/85/97/539908597.db2.gz DWRDIGPONJDXEI-UHFFFAOYSA-N 0 3 356.382 2.139 20 5 FEBDHN O=C(CCN1CCC(C(=O)N2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041896851 540039020 /nfs/dbraw/zinc/03/90/20/540039020.db2.gz RVDUSSXKWJJRNN-UHFFFAOYSA-N 0 3 374.441 2.258 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000043084811 540087652 /nfs/dbraw/zinc/08/76/52/540087652.db2.gz USFVDQUIQVHMJL-OLZOCXBDSA-N 0 3 363.414 2.374 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000046484463 540259382 /nfs/dbraw/zinc/25/93/82/540259382.db2.gz BMEATYHDIBWOHN-MRXNPFEDSA-N 0 3 358.446 2.119 20 5 FEBDHN CN(C)CCOc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000047298924 540303207 /nfs/dbraw/zinc/30/32/07/540303207.db2.gz AUHJURZURJSZNG-UHFFFAOYSA-N 0 3 372.425 2.377 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000056113562 540703607 /nfs/dbraw/zinc/70/36/07/540703607.db2.gz PZOKYSTUPDSCIJ-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN CN(C)[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000068486507 541598563 /nfs/dbraw/zinc/59/85/63/541598563.db2.gz JOHYWAFXKSKQFT-MRXNPFEDSA-N 0 3 360.458 2.364 20 5 FEBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068985467 541646899 /nfs/dbraw/zinc/64/68/99/541646899.db2.gz LVXOOWZVYMOENS-WMZOPIPTSA-N 0 3 369.425 2.324 20 5 FEBDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000073100475 541918089 /nfs/dbraw/zinc/91/80/89/541918089.db2.gz CKSDWOKCJPGRPU-UHFFFAOYSA-N 0 3 368.437 2.423 20 5 FEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnn(CCN2CCCCC2)c1 ZINC000074511505 542093518 /nfs/dbraw/zinc/09/35/18/542093518.db2.gz CJXXBMVGCBLNQX-UHFFFAOYSA-N 0 3 371.441 2.250 20 5 FEBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000074798309 542122818 /nfs/dbraw/zinc/12/28/18/542122818.db2.gz ZKBPRBDNKYZXOH-QGZVFWFLSA-N 0 3 367.409 2.346 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000077967229 542433525 /nfs/dbraw/zinc/43/35/25/542433525.db2.gz LLARAQPUPDCGGL-UHFFFAOYSA-N 0 3 350.419 2.335 20 5 FEBDHN CCN1CCN(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000081287744 542644562 /nfs/dbraw/zinc/64/45/62/542644562.db2.gz BSSIIPKHCMAWRF-UHFFFAOYSA-N 0 3 362.474 2.359 20 5 FEBDHN O=C(NC1CC1)c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089603319 542766573 /nfs/dbraw/zinc/76/65/73/542766573.db2.gz JCVNYEDVCHFMJV-MRXNPFEDSA-N 0 3 374.441 2.152 20 5 FEBDHN CCCCN1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102345970 543065481 /nfs/dbraw/zinc/06/54/81/543065481.db2.gz BRRJBYHKZOFOQI-AWEZNQCLSA-N 0 3 351.451 2.297 20 5 FEBDHN Cc1nn(CCC(=O)N(CC(C)C)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000102490105 543072053 /nfs/dbraw/zinc/07/20/53/543072053.db2.gz MUFPYLBWYJMUOD-UHFFFAOYSA-N 0 3 365.478 2.377 20 5 FEBDHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000103006857 543088243 /nfs/dbraw/zinc/08/82/43/543088243.db2.gz OCGLTJPMARIQMJ-CYBMUJFWSA-N 0 3 372.381 2.137 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000103531938 543113838 /nfs/dbraw/zinc/11/38/38/543113838.db2.gz XUQLGTLOHCBDJN-UHFFFAOYSA-N 0 3 350.375 2.225 20 5 FEBDHN CC(C)(O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104694574 543137455 /nfs/dbraw/zinc/13/74/55/543137455.db2.gz KFMJVHBTPLOOSC-UHFFFAOYSA-N 0 3 374.441 2.181 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107708624 543276675 /nfs/dbraw/zinc/27/66/75/543276675.db2.gz WZDWMSVQCGPNML-AWEZNQCLSA-N 0 3 353.444 2.234 20 5 FEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079345 543429849 /nfs/dbraw/zinc/42/98/49/543429849.db2.gz CFKFZJNRLMNHSS-KRWDZBQOSA-N 0 3 371.441 2.498 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000117336087 543629936 /nfs/dbraw/zinc/62/99/36/543629936.db2.gz VYRZPCMSBKHXQI-ZDUSSCGKSA-N 0 3 371.397 2.496 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000123862363 543787435 /nfs/dbraw/zinc/78/74/35/543787435.db2.gz JJCCTIXGTOSWNX-UHFFFAOYSA-N 0 3 356.426 2.176 20 5 FEBDHN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124832292 543845420 /nfs/dbraw/zinc/84/54/20/543845420.db2.gz YRWFDKHNQTWOQY-HNNXBMFYSA-N 0 3 357.414 2.302 20 5 FEBDHN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124832292 543845423 /nfs/dbraw/zinc/84/54/23/543845423.db2.gz YRWFDKHNQTWOQY-HNNXBMFYSA-N 0 3 357.414 2.302 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127838427 544016111 /nfs/dbraw/zinc/01/61/11/544016111.db2.gz HERLRHFTXDIVKN-AWEZNQCLSA-N 0 3 350.419 2.444 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000134056457 544292842 /nfs/dbraw/zinc/29/28/42/544292842.db2.gz OOECSBMQLUCKKB-LBPRGKRZSA-N 0 3 359.423 2.053 20 5 FEBDHN COc1ccccc1[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1 ZINC000137051460 544384009 /nfs/dbraw/zinc/38/40/09/544384009.db2.gz BRJPCVQODUKTEV-AWEZNQCLSA-N 0 3 373.413 2.284 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146621711 544440217 /nfs/dbraw/zinc/44/02/17/544440217.db2.gz BTSAUKXLQVWKDA-GFCCVEGCSA-N 0 3 359.835 2.107 20 5 FEBDHN COc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000150821795 544475592 /nfs/dbraw/zinc/47/55/92/544475592.db2.gz AMLXQMRAKVEKCC-ZDUSSCGKSA-N 0 3 371.459 2.098 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1C ZINC000152874420 544705751 /nfs/dbraw/zinc/70/57/51/544705751.db2.gz CWPYYBONVCZOQR-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1C ZINC000152883546 544706550 /nfs/dbraw/zinc/70/65/50/544706550.db2.gz KWLFVIICBURVSJ-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188255357 328076073 /nfs/dbraw/zinc/07/60/73/328076073.db2.gz HZXMXKBZGWOAAO-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000189396260 328145349 /nfs/dbraw/zinc/14/53/49/328145349.db2.gz OHTRIJZENXLNNM-OAHLLOKOSA-N 0 3 374.441 2.319 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794119 328168358 /nfs/dbraw/zinc/16/83/58/328168358.db2.gz JNZDMJCUPUNSFB-OAHLLOKOSA-N 0 3 362.474 2.474 20 5 FEBDHN CCS(=O)(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000060774047 324850822 /nfs/dbraw/zinc/85/08/22/324850822.db2.gz CSVYTBTWUPMDAE-UHFFFAOYSA-N 0 3 361.851 2.152 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccccc2)cc1OC ZINC000237050655 328503018 /nfs/dbraw/zinc/50/30/18/328503018.db2.gz FFQQOSGZFBRMPZ-AWEZNQCLSA-N 0 3 359.382 2.432 20 5 FEBDHN O=C(Nc1ccccc1)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090511778 325361588 /nfs/dbraw/zinc/36/15/88/325361588.db2.gz NBOWBHKXDAYNFY-UHFFFAOYSA-N 0 3 370.409 2.107 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000090551637 325362610 /nfs/dbraw/zinc/36/26/10/325362610.db2.gz VUAIWEGUZSXFDD-QGZVFWFLSA-N 0 3 356.426 2.357 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000090552058 325363271 /nfs/dbraw/zinc/36/32/71/325363271.db2.gz ZBARNFQFJLXMRZ-GOSISDBHSA-N 0 3 357.410 2.090 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707992 325633670 /nfs/dbraw/zinc/63/36/70/325633670.db2.gz CWKCQEICCJHIEO-CYBMUJFWSA-N 0 3 371.434 2.373 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000109252511 325662942 /nfs/dbraw/zinc/66/29/42/325662942.db2.gz NTJWFGVSFQXCCP-UHFFFAOYSA-N 0 3 371.393 2.164 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000109840084 325678814 /nfs/dbraw/zinc/67/88/14/325678814.db2.gz IULCURIAZPPZFX-LLVKDONJSA-N 0 3 361.851 2.271 20 5 FEBDHN Cc1c(CC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000119041593 326120886 /nfs/dbraw/zinc/12/08/86/326120886.db2.gz YAEOSXJKFQWFLW-SFHVURJKSA-N 0 3 374.485 2.074 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119979147 326217974 /nfs/dbraw/zinc/21/79/74/326217974.db2.gz VKRCSXVUJWDCIO-AWEZNQCLSA-N 0 3 350.419 2.444 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000120669639 326277149 /nfs/dbraw/zinc/27/71/49/326277149.db2.gz WVKVRQKQNUNRNU-GHMZBOCLSA-N 0 3 368.821 2.128 20 5 FEBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120815111 326290291 /nfs/dbraw/zinc/29/02/91/326290291.db2.gz ABJYSTKXIOAJOW-JTQLQIEISA-N 0 3 356.220 2.381 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000122367436 326394312 /nfs/dbraw/zinc/39/43/12/326394312.db2.gz KHYTWMHOSQBGKA-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122450526 326397195 /nfs/dbraw/zinc/39/71/95/326397195.db2.gz WYANPQNHHCETDT-YPMHNXCESA-N 0 3 373.862 2.353 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122473681 326398119 /nfs/dbraw/zinc/39/81/19/326398119.db2.gz PRHJGLOBTPZFEA-AAEUAGOBSA-N 0 3 373.862 2.353 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151632549 326687340 /nfs/dbraw/zinc/68/73/40/326687340.db2.gz VOCLJXJXANLJLJ-CQSZACIVSA-N 0 3 367.471 2.264 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000153077109 326723334 /nfs/dbraw/zinc/72/33/34/326723334.db2.gz BBHRUWCFXIHRTQ-UHFFFAOYSA-N 0 3 371.397 2.419 20 5 FEBDHN Cc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000153759147 326741943 /nfs/dbraw/zinc/74/19/43/326741943.db2.gz VTAXWSZCELEAPM-OAHLLOKOSA-N 0 3 350.419 2.478 20 5 FEBDHN CC[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160999253 326984669 /nfs/dbraw/zinc/98/46/69/326984669.db2.gz OXXMHLABPHLTJM-KRWDZBQOSA-N 0 3 370.409 2.051 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000161969933 327013594 /nfs/dbraw/zinc/01/35/94/327013594.db2.gz NXWZJBSOXHZSNT-GFCCVEGCSA-N 0 3 351.432 2.203 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164731497 327073709 /nfs/dbraw/zinc/07/37/09/327073709.db2.gz SAAHFTUPBJPLLI-UHFFFAOYSA-N 0 3 365.821 2.186 20 5 FEBDHN COCCCN1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000171207305 327124854 /nfs/dbraw/zinc/12/48/54/327124854.db2.gz CTGDLKXYSLDBSS-UHFFFAOYSA-N 0 3 364.446 2.237 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902794 327169090 /nfs/dbraw/zinc/16/90/90/327169090.db2.gz ATUZIMBBESNLPN-XJKSGUPXSA-N 0 3 350.419 2.066 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1C ZINC000173243039 327243591 /nfs/dbraw/zinc/24/35/91/327243591.db2.gz GGFXVZRTQNGLRK-WFASDCNBSA-N 0 3 355.460 2.172 20 5 FEBDHN C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343822 327250825 /nfs/dbraw/zinc/25/08/25/327250825.db2.gz LTUXUJNIZPUQBF-RHSMWYFYSA-N 0 3 351.472 2.453 20 5 FEBDHN C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1[C@H](C)CC[C@@H]1C ZINC000173685113 327276780 /nfs/dbraw/zinc/27/67/80/327276780.db2.gz ZMAWSPILFPVGSO-XGUBFFRZSA-N 0 3 361.446 2.264 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000175128106 327375726 /nfs/dbraw/zinc/37/57/26/327375726.db2.gz UKZRRJFGJMAAGC-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)c1C ZINC000262213499 328851818 /nfs/dbraw/zinc/85/18/18/328851818.db2.gz LVQFCKZZCZEHSL-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000265953120 329176101 /nfs/dbraw/zinc/17/61/01/329176101.db2.gz NENTZODIZJNCQV-GFCCVEGCSA-N 0 3 351.403 2.026 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265998463 329180339 /nfs/dbraw/zinc/18/03/39/329180339.db2.gz ORLXNSKAPBYVHQ-GDJRKYJOSA-N 0 3 363.414 2.334 20 5 FEBDHN CC(C)(C)OC(=O)NCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266057519 329185983 /nfs/dbraw/zinc/18/59/83/329185983.db2.gz YJVQJCUSCZKJHJ-UHFFFAOYSA-N 0 3 353.423 2.028 20 5 FEBDHN COc1ccc2cc(CN(C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266454073 329224540 /nfs/dbraw/zinc/22/45/40/329224540.db2.gz OXORMEQHACCWTD-GOSISDBHSA-N 0 3 370.409 2.446 20 5 FEBDHN CCOC(=O)c1ccnc(NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267029734 329284806 /nfs/dbraw/zinc/28/48/06/329284806.db2.gz AVFLEEITUSKWLI-HNNXBMFYSA-N 0 3 354.432 2.016 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178561 329393899 /nfs/dbraw/zinc/39/38/99/329393899.db2.gz KYGINXLRIXOSDC-BBRMVZONSA-N 0 3 358.442 2.408 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1=O ZINC000270309697 329589805 /nfs/dbraw/zinc/58/98/05/329589805.db2.gz ZWXDFLGIWGEHPK-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1N(C)C ZINC000271584841 329705381 /nfs/dbraw/zinc/70/53/81/329705381.db2.gz FIIKBQDNGXIMPT-HUUCEWRRSA-N 0 3 366.443 2.033 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1OC ZINC000275175019 330018608 /nfs/dbraw/zinc/01/86/08/330018608.db2.gz BYUOGDKHAYXQHG-WHOFXGATSA-N 0 3 351.403 2.478 20 5 FEBDHN COc1ccc(NC(=O)CN([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000276274740 330136048 /nfs/dbraw/zinc/13/60/48/330136048.db2.gz DIGBUGDXRWGTDX-GFCCVEGCSA-N 0 3 351.403 2.167 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(C(F)F)CC1 ZINC000426246965 330271724 /nfs/dbraw/zinc/27/17/24/330271724.db2.gz XITUHFZDYSMCSF-UHFFFAOYSA-N 0 3 357.357 2.324 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC1CCOCC1 ZINC000155973593 545588082 /nfs/dbraw/zinc/58/80/82/545588082.db2.gz VYXWXUMXIVQWKH-GFCCVEGCSA-N 0 3 351.403 2.289 20 5 FEBDHN CCN(CCc1nccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159182380 545929528 /nfs/dbraw/zinc/92/95/28/545929528.db2.gz OBECQRSJPNIHGM-CQSZACIVSA-N 0 3 351.428 2.356 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000478494025 561168347 /nfs/dbraw/zinc/16/83/47/561168347.db2.gz QRBHCAWGXBASDI-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000161306206 546118148 /nfs/dbraw/zinc/11/81/48/546118148.db2.gz YVXCYSWRDQQNNJ-AWEZNQCLSA-N 0 3 355.398 2.139 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000161334225 546121093 /nfs/dbraw/zinc/12/10/93/546121093.db2.gz OJPXRUCWNMNRKI-AWEZNQCLSA-N 0 3 355.398 2.139 20 5 FEBDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176219052 546420989 /nfs/dbraw/zinc/42/09/89/546420989.db2.gz LXWJFTQXYKGLTJ-UHFFFAOYSA-N 0 3 356.810 2.035 20 5 FEBDHN COC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000480281381 561206223 /nfs/dbraw/zinc/20/62/23/561206223.db2.gz FOSVZXIUVFMPQP-UHFFFAOYSA-N 0 3 356.444 2.307 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000176668128 546474831 /nfs/dbraw/zinc/47/48/31/546474831.db2.gz OLBLZSUTQBKYOL-NSHDSACASA-N 0 3 373.862 2.319 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CN1C1CC1 ZINC000177094527 546544117 /nfs/dbraw/zinc/54/41/17/546544117.db2.gz NIALHKMTZBCBHD-GXTWGEPZSA-N 0 3 355.398 2.136 20 5 FEBDHN CC(C)(CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000480784366 561216865 /nfs/dbraw/zinc/21/68/65/561216865.db2.gz CETMRXZNFXHHHX-UHFFFAOYSA-N 0 3 369.487 2.179 20 5 FEBDHN CN(C(=O)CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177926206 546709258 /nfs/dbraw/zinc/70/92/58/546709258.db2.gz QISJREBSNCROIP-FCEWJHQRSA-N 0 3 372.469 2.364 20 5 FEBDHN COCCO[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179344709 546936027 /nfs/dbraw/zinc/93/60/27/546936027.db2.gz MHQNYBSQONXWMH-AWEZNQCLSA-N 0 3 351.403 2.051 20 5 FEBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180536872 547126400 /nfs/dbraw/zinc/12/64/00/547126400.db2.gz AMXXXMPUHPVDQN-UHFFFAOYSA-N 0 3 369.425 2.275 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000180723477 547167378 /nfs/dbraw/zinc/16/73/78/547167378.db2.gz AWRMWZBBEGXOEX-GOSISDBHSA-N 0 3 370.409 2.483 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180922541 547210267 /nfs/dbraw/zinc/21/02/67/547210267.db2.gz OCXZLMFHEOWCFV-JHJVBQTASA-N 0 3 363.414 2.420 20 5 FEBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809488 547556191 /nfs/dbraw/zinc/55/61/91/547556191.db2.gz MYOWYHGWOFAUOX-UHFFFAOYSA-N 0 3 356.810 2.035 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000183147561 547610071 /nfs/dbraw/zinc/61/00/71/547610071.db2.gz LSSXDMDXXVFDCZ-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000183442410 547660361 /nfs/dbraw/zinc/66/03/61/547660361.db2.gz QEAGRZIPURMJAW-KRWDZBQOSA-N 0 3 369.421 2.400 20 5 FEBDHN CCc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184208500 547786777 /nfs/dbraw/zinc/78/67/77/547786777.db2.gz DEKRAJNQWKQTOS-UHFFFAOYSA-N 0 3 362.474 2.303 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000185436390 547984331 /nfs/dbraw/zinc/98/43/31/547984331.db2.gz NHRIYRMJNCISJE-UHFFFAOYSA-N 0 3 363.462 2.441 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186769572 548189068 /nfs/dbraw/zinc/18/90/68/548189068.db2.gz IZSTVYXBFQVUQJ-HNNXBMFYSA-N 0 3 369.487 2.321 20 5 FEBDHN CCOc1cc(C(=O)N(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000186800113 548196294 /nfs/dbraw/zinc/19/62/94/548196294.db2.gz PWGFROHYWHCURV-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN Cc1ccc(NCCCNC(=O)[C@H](N)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000237668164 548843389 /nfs/dbraw/zinc/84/33/89/548843389.db2.gz PVKLOXCJPOTUMK-MRXNPFEDSA-N 0 3 356.426 2.391 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C)[C@H](C(C)C)C1 ZINC000488046104 561382077 /nfs/dbraw/zinc/38/20/77/561382077.db2.gz UPQFNXUXXVBJGT-CJNGLKHVSA-N 0 3 364.446 2.202 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246038033 549039829 /nfs/dbraw/zinc/03/98/29/549039829.db2.gz AZRWXCJAUOXMSN-DZGCQCFKSA-N 0 3 355.460 2.254 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246065313 549044173 /nfs/dbraw/zinc/04/41/73/549044173.db2.gz DPKORCGBQZHCGC-AAEUAGOBSA-N 0 3 373.862 2.496 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246959557 549251417 /nfs/dbraw/zinc/25/14/17/549251417.db2.gz INNSLAKYICPIRK-GOEBONIOSA-N 0 3 367.471 2.316 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247094862 549283079 /nfs/dbraw/zinc/28/30/79/549283079.db2.gz PRHJGLOBTPZFEA-WCQYABFASA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247161351 549292880 /nfs/dbraw/zinc/29/28/80/549292880.db2.gz UFMGSBOTGSGJTC-KBPBESRZSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000248936204 549529215 /nfs/dbraw/zinc/52/92/15/549529215.db2.gz YIVKLQGCJJASKI-XJKSGUPXSA-N 0 3 354.410 2.427 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1[N+](=O)[O-] ZINC000249340689 549582858 /nfs/dbraw/zinc/58/28/58/549582858.db2.gz DGXUFSHFSXETKN-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCNC[C@@H]3c3cccnc3)n2)c1 ZINC000261783385 549754655 /nfs/dbraw/zinc/75/46/55/549754655.db2.gz PQLKLWKIGXTUHH-MRXNPFEDSA-N 0 3 366.381 2.186 20 5 FEBDHN CCOc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493550727 561456800 /nfs/dbraw/zinc/45/68/00/561456800.db2.gz RMRUUUBDIUBTBU-AWEZNQCLSA-N 0 3 351.447 2.271 20 5 FEBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797174 550308063 /nfs/dbraw/zinc/30/80/63/550308063.db2.gz FJJFPMKIRFGPPQ-IEBWSBKVSA-N 0 3 369.421 2.208 20 5 FEBDHN CSc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000270970226 550326990 /nfs/dbraw/zinc/32/69/90/550326990.db2.gz BRHFYHUSYXHTCT-OCCSQVGLSA-N 0 3 355.485 2.434 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272698256 550465451 /nfs/dbraw/zinc/46/54/51/550465451.db2.gz YEYNZGRDEPRWBH-KDOFPFPSSA-N 0 3 358.442 2.361 20 5 FEBDHN O=C1NC(=O)C2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)N1 ZINC000273795759 550511558 /nfs/dbraw/zinc/51/15/58/550511558.db2.gz WAYGHPGTRYHBSO-UHFFFAOYSA-N 0 3 370.365 2.029 20 5 FEBDHN COc1cc(CN[C@@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000276688660 550585327 /nfs/dbraw/zinc/58/53/27/550585327.db2.gz JUVVHVBOFBIZSN-OAHLLOKOSA-N 0 3 364.373 2.444 20 5 FEBDHN CCN(CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C1CC1 ZINC000277200295 550642753 /nfs/dbraw/zinc/64/27/53/550642753.db2.gz LNLUOTQXVALVRS-UHFFFAOYSA-N 0 3 364.402 2.296 20 5 FEBDHN COc1cc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000277567315 550685539 /nfs/dbraw/zinc/68/55/39/550685539.db2.gz NREQPOFVJQVFKS-ZDUSSCGKSA-N 0 3 365.430 2.143 20 5 FEBDHN COc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277618885 550692535 /nfs/dbraw/zinc/69/25/35/550692535.db2.gz WIDUICKPUPGFGO-HNNXBMFYSA-N 0 3 362.430 2.420 20 5 FEBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000278518634 550794500 /nfs/dbraw/zinc/79/45/00/550794500.db2.gz GCIWXYXJBOLCOW-SFHVURJKSA-N 0 3 357.410 2.356 20 5 FEBDHN CCn1nccc1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000278934648 550837871 /nfs/dbraw/zinc/83/78/71/550837871.db2.gz TUODAOUXJAJNCK-MRXNPFEDSA-N 0 3 374.441 2.431 20 5 FEBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225220 550866955 /nfs/dbraw/zinc/86/69/55/550866955.db2.gz IOFJLJAKPRNADY-CGTJXYLNSA-N 0 3 359.426 2.495 20 5 FEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280604839 551012656 /nfs/dbraw/zinc/01/26/56/551012656.db2.gz VKAHKCXBVXROAV-SFHVURJKSA-N 0 3 363.414 2.193 20 5 FEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000281213962 551074505 /nfs/dbraw/zinc/07/45/05/551074505.db2.gz QPTYTKJYVMOMQR-SECBINFHSA-N 0 3 365.814 2.102 20 5 FEBDHN CCN(CC)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497518375 561503077 /nfs/dbraw/zinc/50/30/77/561503077.db2.gz XINZLQMWLDFUAM-ZDUSSCGKSA-N 0 3 355.460 2.166 20 5 FEBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000282496156 551237149 /nfs/dbraw/zinc/23/71/49/551237149.db2.gz OJIBDZCKMDQAHU-MRXNPFEDSA-N 0 3 356.430 2.455 20 5 FEBDHN CCOC1CC2(C1)CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000285418658 551753422 /nfs/dbraw/zinc/75/34/22/551753422.db2.gz GLGYRXRFIOMPNK-KSTDHSDQSA-N 0 3 350.415 2.226 20 5 FEBDHN CCN1CCN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286151386 551854778 /nfs/dbraw/zinc/85/47/78/551854778.db2.gz ODERWNIIELVFQB-UHFFFAOYSA-N 0 3 350.448 2.039 20 5 FEBDHN CNC(=O)CC[C@H]1CCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286573157 551901496 /nfs/dbraw/zinc/90/14/96/551901496.db2.gz URAAAEXLBLGCPY-CQSZACIVSA-N 0 3 365.430 2.363 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787303 551925927 /nfs/dbraw/zinc/92/59/27/551925927.db2.gz RVSGOWALDSBYSW-ZBFHGGJFSA-N 0 3 367.471 2.026 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286878428 551935842 /nfs/dbraw/zinc/93/58/42/551935842.db2.gz ZDQWZEZACGBUGT-UKRRQHHQSA-N 0 3 353.444 2.151 20 5 FEBDHN CCN(CC)C(=O)[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500096291 561565840 /nfs/dbraw/zinc/56/58/40/561565840.db2.gz IHAGWESNHXDTCQ-INIZCTEOSA-N 0 3 362.430 2.256 20 5 FEBDHN C[C@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289411566 552316884 /nfs/dbraw/zinc/31/68/84/552316884.db2.gz BMUKPYJBJUFBIX-MRVPVSSYSA-N 0 3 350.156 2.060 20 5 FEBDHN CCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000500495527 561575141 /nfs/dbraw/zinc/57/51/41/561575141.db2.gz UYIOMRKVGMJFKF-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500868770 561584754 /nfs/dbraw/zinc/58/47/54/561584754.db2.gz ZEHHXOAHBLUVRU-CJNGLKHVSA-N 0 3 357.414 2.051 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000291775125 552660414 /nfs/dbraw/zinc/66/04/14/552660414.db2.gz LZENOHSQJSHWCI-CQSZACIVSA-N 0 3 359.386 2.076 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000292171203 552701064 /nfs/dbraw/zinc/70/10/64/552701064.db2.gz PSAPJTMDYFXGQH-WBVHZDCISA-N 0 3 350.415 2.083 20 5 FEBDHN O=C(CCN1CCC2(CC1)OCCCO2)Nc1cc([N+](=O)[O-])ccc1F ZINC000292988778 552778048 /nfs/dbraw/zinc/77/80/48/552778048.db2.gz LYJTVZGXGOQSLH-UHFFFAOYSA-N 0 3 367.377 2.292 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000293881508 552864736 /nfs/dbraw/zinc/86/47/36/552864736.db2.gz FVJJCUHXVNEGCF-IBGZPJMESA-N 0 3 356.426 2.494 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000294032018 552876740 /nfs/dbraw/zinc/87/67/40/552876740.db2.gz KCNMQZUWBUUCDU-LBPRGKRZSA-N 0 3 363.443 2.472 20 5 FEBDHN CSc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000294428840 552905559 /nfs/dbraw/zinc/90/55/59/552905559.db2.gz NRLGZWHECCXASB-CYBMUJFWSA-N 0 3 363.443 2.083 20 5 FEBDHN CCN(C)C(=O)[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000294953665 552947154 /nfs/dbraw/zinc/94/71/54/552947154.db2.gz DHRVZSOFBFIHLN-DYVFJYSZSA-N 0 3 364.446 2.404 20 5 FEBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000295890586 553072490 /nfs/dbraw/zinc/07/24/90/553072490.db2.gz CPRMODIRLPCPBV-UONOGXRCSA-N 0 3 364.446 2.347 20 5 FEBDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295898932 553073165 /nfs/dbraw/zinc/07/31/65/553073165.db2.gz CYUUVVDWYUIEHY-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503527392 561643876 /nfs/dbraw/zinc/64/38/76/561643876.db2.gz YGWLTVPAQDQRJG-MSOLQXFVSA-N 0 3 357.410 2.484 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000299300425 553544538 /nfs/dbraw/zinc/54/45/38/553544538.db2.gz NRMSEKZJHJGVOH-KRWDZBQOSA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000299321057 553547442 /nfs/dbraw/zinc/54/74/42/553547442.db2.gz FKZRBNJOGXAWHP-UHFFFAOYSA-N 0 3 371.441 2.053 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000299393737 553557399 /nfs/dbraw/zinc/55/73/99/553557399.db2.gz KILJUAPTDQOYCI-UHFFFAOYSA-N 0 3 371.434 2.373 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCN(CCc2ccccn2)CC1 ZINC000299663874 553599374 /nfs/dbraw/zinc/59/93/74/553599374.db2.gz HYDUDOHUAWNVQB-UHFFFAOYSA-N 0 3 357.414 2.097 20 5 FEBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)c1 ZINC000301500484 553656236 /nfs/dbraw/zinc/65/62/36/553656236.db2.gz DMKWXZIDEQCYSD-UHFFFAOYSA-N 0 3 353.394 2.291 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1N1CCN(c2ccncc2)CC1 ZINC000301905044 553690517 /nfs/dbraw/zinc/69/05/17/553690517.db2.gz YLNLKEBOPKMUQG-UHFFFAOYSA-N 0 3 364.203 2.474 20 5 FEBDHN Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437111 553716921 /nfs/dbraw/zinc/71/69/21/553716921.db2.gz MMABKGSWFIOKBT-HUUCEWRRSA-N 0 3 371.441 2.252 20 5 FEBDHN COCCN(C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000505518464 561672864 /nfs/dbraw/zinc/67/28/64/561672864.db2.gz DKBDQLFCRGJOBG-MRXNPFEDSA-N 0 3 360.414 2.362 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000505608298 561675179 /nfs/dbraw/zinc/67/51/79/561675179.db2.gz MWKSWWMINPHGEA-LJQANCHMSA-N 0 3 369.425 2.338 20 5 FEBDHN COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372217 561760524 /nfs/dbraw/zinc/76/05/24/561760524.db2.gz XFDVYBIQNXRUMJ-HIFRSBDPSA-N 0 3 366.437 2.205 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331992554 554359697 /nfs/dbraw/zinc/35/96/97/554359697.db2.gz WMOJLOLLGPQEJZ-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1C ZINC000332088416 554378034 /nfs/dbraw/zinc/37/80/34/554378034.db2.gz UAEISEABJQPPSR-ZBFHGGJFSA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000511020418 561854121 /nfs/dbraw/zinc/85/41/21/561854121.db2.gz VIZKSYCJRLZNTK-DAXOMENPSA-N 0 3 360.414 2.055 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000360468787 554876048 /nfs/dbraw/zinc/87/60/48/554876048.db2.gz XHKFZPXRHXSIDO-ZDUSSCGKSA-N 0 3 354.401 2.337 20 5 FEBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000363069047 555023357 /nfs/dbraw/zinc/02/33/57/555023357.db2.gz XVUHPOSHXHZIQI-QGZVFWFLSA-N 0 3 369.425 2.481 20 5 FEBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000363174613 555046156 /nfs/dbraw/zinc/04/61/56/555046156.db2.gz CBQQIZJMMBTXOC-KRWDZBQOSA-N 0 3 369.425 2.481 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000363707279 555168642 /nfs/dbraw/zinc/16/86/42/555168642.db2.gz FXRZYRUWJKXWOL-AWEZNQCLSA-N 0 3 353.806 2.231 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873339 555204034 /nfs/dbraw/zinc/20/40/34/555204034.db2.gz CIMISDWFAHGHTE-CXAGYDPISA-N 0 3 369.425 2.212 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)c1 ZINC000364195073 555267481 /nfs/dbraw/zinc/26/74/81/555267481.db2.gz BDKVFEPCLSHYFL-JKSUJKDBSA-N 0 3 359.357 2.309 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556372 555337471 /nfs/dbraw/zinc/33/74/71/555337471.db2.gz JBMBAKZYUVJMFT-OIISXLGYSA-N 0 3 361.442 2.143 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653935 555363831 /nfs/dbraw/zinc/36/38/31/555363831.db2.gz WFPXIWUJQIKYEQ-RISCZKNCSA-N 0 3 363.443 2.121 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000364695122 555376942 /nfs/dbraw/zinc/37/69/42/555376942.db2.gz LWRXFYMEKOKXPN-HNNXBMFYSA-N 0 3 353.382 2.053 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000365089505 555482757 /nfs/dbraw/zinc/48/27/57/555482757.db2.gz QRDMDZMRKCHTGL-CQSZACIVSA-N 0 3 350.419 2.132 20 5 FEBDHN CCOc1cc(CN2CC[C@H](N3CCN(CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000365174949 555502613 /nfs/dbraw/zinc/50/26/13/555502613.db2.gz FHKVRZLZRQDCTP-KRWDZBQOSA-N 0 3 362.474 2.205 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000365772444 555664272 /nfs/dbraw/zinc/66/42/72/555664272.db2.gz AEIPNRLGYCECQG-BMIGLBTASA-N 0 3 355.797 2.482 20 5 FEBDHN O=C(c1ccco1)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000365814941 555673682 /nfs/dbraw/zinc/67/36/82/555673682.db2.gz JSBPAWAONCMCFE-UHFFFAOYSA-N 0 3 369.381 2.459 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]2)CC1 ZINC000365854455 555683539 /nfs/dbraw/zinc/68/35/39/555683539.db2.gz ZNACGFXJGKHALS-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FEBDHN O=C([C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657699 555900851 /nfs/dbraw/zinc/90/08/51/555900851.db2.gz SEJQKAXKGUHJBY-SJLPKXTDSA-N 0 3 361.442 2.353 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000367661605 556107722 /nfs/dbraw/zinc/10/77/22/556107722.db2.gz RSOFRSAANPWMPF-MRXNPFEDSA-N 0 3 362.474 2.063 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766998 556133741 /nfs/dbraw/zinc/13/37/41/556133741.db2.gz HPYZUWGJEATBRJ-OAHLLOKOSA-N 0 3 350.438 2.193 20 5 FEBDHN Cn1ccnc1[C@H](N[C@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105542 556220419 /nfs/dbraw/zinc/22/04/19/556220419.db2.gz TUCLQPDXZGLHSJ-SUMWQHHRSA-N 0 3 352.398 2.288 20 5 FEBDHN Cn1ccnc1[C@H](N[C@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105542 556220423 /nfs/dbraw/zinc/22/04/23/556220423.db2.gz TUCLQPDXZGLHSJ-SUMWQHHRSA-N 0 3 352.398 2.288 20 5 FEBDHN N[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000368417941 556302575 /nfs/dbraw/zinc/30/25/75/556302575.db2.gz VGRJZHLTBKNOAK-SJORKVTESA-N 0 3 359.357 2.066 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@@H]2CCCOC2)CC1 ZINC000368612458 556362008 /nfs/dbraw/zinc/36/20/08/556362008.db2.gz KPJCJUVBJPDDIH-IAGOWNOFSA-N 0 3 364.442 2.473 20 5 FEBDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976429 556465699 /nfs/dbraw/zinc/46/56/99/556465699.db2.gz WGKZQPTZRZXLQD-YEWWUXTCSA-N 0 3 370.409 2.378 20 5 FEBDHN Cc1cccc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369310899 556571161 /nfs/dbraw/zinc/57/11/61/556571161.db2.gz SZJIWAUYGYTTDQ-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN Cc1cccc(OC[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369693147 556670094 /nfs/dbraw/zinc/67/00/94/556670094.db2.gz QEOGAUVDZILCEK-MRXNPFEDSA-N 0 3 360.414 2.177 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCCC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369721075 556677571 /nfs/dbraw/zinc/67/75/71/556677571.db2.gz LICOUCWDSPQDTJ-UHFFFAOYSA-N 0 3 367.471 2.400 20 5 FEBDHN CCc1ccc(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370000192 556753937 /nfs/dbraw/zinc/75/39/37/556753937.db2.gz XNODVKBIFYTTDS-MRXNPFEDSA-N 0 3 374.485 2.257 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352412 556847669 /nfs/dbraw/zinc/84/76/69/556847669.db2.gz YSPKKLVLEFDESM-LSDHHAIUSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352412 556847672 /nfs/dbraw/zinc/84/76/72/556847672.db2.gz YSPKKLVLEFDESM-LSDHHAIUSA-N 0 3 360.414 2.246 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4cccc([N+](=O)[O-])c4C)C[C@@H]3C2)no1 ZINC000370744679 556955785 /nfs/dbraw/zinc/95/57/85/556955785.db2.gz IGPNZMBZZHUOPA-HZPDHXFCSA-N 0 3 371.441 2.412 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517085322 562075009 /nfs/dbraw/zinc/07/50/09/562075009.db2.gz XAEDFBPXRKHOEI-HNNXBMFYSA-N 0 3 367.471 2.256 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@H]3CCCOC3)CC2)c1 ZINC000371647932 557250075 /nfs/dbraw/zinc/25/00/75/557250075.db2.gz VETLBCQNIMYCEI-WMZOPIPTSA-N 0 3 364.442 2.473 20 5 FEBDHN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000372353852 557448655 /nfs/dbraw/zinc/44/86/55/557448655.db2.gz BCXCKQPCZKBTBA-LPHOPBHVSA-N 0 3 374.485 2.012 20 5 FEBDHN COc1cccc([C@@H]2C[C@H]2NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000519143037 562125785 /nfs/dbraw/zinc/12/57/85/562125785.db2.gz KXOAYHUOTXAUIN-HYVNUMGLSA-N 0 3 358.394 2.489 20 5 FEBDHN CN1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372392467 557459298 /nfs/dbraw/zinc/45/92/98/557459298.db2.gz BFJWAPNEDDGLEP-KXBFYZLASA-N 0 3 370.409 2.178 20 5 FEBDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520009997 562148610 /nfs/dbraw/zinc/14/86/10/562148610.db2.gz CUVRGAANVSAUAC-SNVBAGLBSA-N 0 3 356.810 2.033 20 5 FEBDHN CCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000520311852 562153227 /nfs/dbraw/zinc/15/32/27/562153227.db2.gz ZOCRTXSCXUBMQN-UHFFFAOYSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374298384 557860653 /nfs/dbraw/zinc/86/06/53/557860653.db2.gz UNRHRELPUMPKIL-QAPCUYQASA-N 0 3 360.458 2.001 20 5 FEBDHN COc1ccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609942 557906620 /nfs/dbraw/zinc/90/66/20/557906620.db2.gz HCQMKZQUFXNEIG-IAGOWNOFSA-N 0 3 360.414 2.306 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000374871251 557944222 /nfs/dbraw/zinc/94/42/22/557944222.db2.gz CPUKKCLBBMETKG-KBXCAEBGSA-N 0 3 360.458 2.378 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000374917082 557950926 /nfs/dbraw/zinc/95/09/26/557950926.db2.gz XWYWZBUTPQETGE-GXFFZTMASA-N 0 3 355.341 2.362 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376425347 558171348 /nfs/dbraw/zinc/17/13/48/558171348.db2.gz CKYIBRLLADWBKA-SECBINFHSA-N 0 3 358.324 2.450 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000377493505 558351343 /nfs/dbraw/zinc/35/13/43/558351343.db2.gz GJVJEXDWXLAVRD-UHFFFAOYSA-N 0 3 366.487 2.146 20 5 FEBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CN2CCC1CC2 ZINC000522675251 562201497 /nfs/dbraw/zinc/20/14/97/562201497.db2.gz KLCITIAWSZTXAE-INIZCTEOSA-N 0 3 356.382 2.015 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316032 558666352 /nfs/dbraw/zinc/66/63/52/558666352.db2.gz NFEZEXZYUHASJN-QWHCGFSZSA-N 0 3 371.434 2.290 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524869519 562236524 /nfs/dbraw/zinc/23/65/24/562236524.db2.gz LUQSIUPAOHSXPM-CHWSQXEVSA-N 0 3 371.459 2.097 20 5 FEBDHN O=C(CCN1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279089 558867004 /nfs/dbraw/zinc/86/70/04/558867004.db2.gz PFLVKCZAYSOJFJ-GXTWGEPZSA-N 0 3 361.320 2.311 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2COCC[C@H]21 ZINC000411313149 558874581 /nfs/dbraw/zinc/87/45/81/558874581.db2.gz AADRBEYRJVFPAT-XJKSGUPXSA-N 0 3 363.414 2.433 20 5 FEBDHN Cc1c([C@H]2OCC[C@@H]2NCCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000411576652 558920909 /nfs/dbraw/zinc/92/09/09/558920909.db2.gz OWHWANSDZCTHNC-MAUKXSAKSA-N 0 3 373.413 2.085 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411861798 558978061 /nfs/dbraw/zinc/97/80/61/558978061.db2.gz XOTSHUJKIJARER-UHFFFAOYSA-N 0 3 373.413 2.114 20 5 FEBDHN CN(C)C1(CN(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000525851377 562257364 /nfs/dbraw/zinc/25/73/64/562257364.db2.gz RPBLCKDPISFIBZ-UHFFFAOYSA-N 0 3 350.419 2.099 20 5 FEBDHN CN(C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000412217614 559020634 /nfs/dbraw/zinc/02/06/34/559020634.db2.gz PXLKWBKLIWYSMZ-DLBZAZTESA-N 0 3 370.409 2.060 20 5 FEBDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000526919989 562269479 /nfs/dbraw/zinc/26/94/79/562269479.db2.gz PHILXKYBXGLSIH-UHFFFAOYSA-N 0 3 366.393 2.005 20 5 FEBDHN COc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCCN(C)C ZINC000416338593 559306440 /nfs/dbraw/zinc/30/64/40/559306440.db2.gz DSUIUXUFZWAVEP-UHFFFAOYSA-N 0 3 362.386 2.135 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000416428310 559312252 /nfs/dbraw/zinc/31/22/52/559312252.db2.gz TZSNRSRLIGPVES-CQSZACIVSA-N 0 3 361.423 2.236 20 5 FEBDHN CC(=O)N1CCN(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328366 559357806 /nfs/dbraw/zinc/35/78/06/559357806.db2.gz SKZRXXJUQZKKML-LJQANCHMSA-N 0 3 360.458 2.116 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418552122 559405883 /nfs/dbraw/zinc/40/58/83/559405883.db2.gz KBJVKYRNKWLQLQ-UHFFFAOYSA-N 0 3 368.393 2.171 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418576965 559406948 /nfs/dbraw/zinc/40/69/48/559406948.db2.gz IALORPPRDYHPAV-UHFFFAOYSA-N 0 3 368.393 2.302 20 5 FEBDHN O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751677 559413909 /nfs/dbraw/zinc/41/39/09/559413909.db2.gz RPVADBYDTPRSDK-HIFRSBDPSA-N 0 3 368.384 2.481 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000420001732 559468372 /nfs/dbraw/zinc/46/83/72/559468372.db2.gz RPXOOGJSJUCKNB-CQSZACIVSA-N 0 3 363.336 2.046 20 5 FEBDHN [NH3+]CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000420462539 559488760 /nfs/dbraw/zinc/48/87/60/559488760.db2.gz NBUDTSVROQXVOJ-LBPRGKRZSA-N 0 3 355.441 2.415 20 5 FEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCCN(Cc2ccccc2)CC1 ZINC000420583138 559493001 /nfs/dbraw/zinc/49/30/01/559493001.db2.gz KBIWXUXNYZDMDT-UHFFFAOYSA-N 0 3 354.410 2.406 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](O)CC12CCC2 ZINC000420989645 559517928 /nfs/dbraw/zinc/51/79/28/559517928.db2.gz CNNXMTHNXHQPHD-CQSZACIVSA-N 0 3 361.398 2.272 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000423956807 559647975 /nfs/dbraw/zinc/64/79/75/559647975.db2.gz CWUGIOMGNCCHFW-MRXNPFEDSA-N 0 3 373.409 2.361 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@@H]1C(C)C ZINC000425478829 559704560 /nfs/dbraw/zinc/70/45/60/559704560.db2.gz NESYJJKXRBTIEW-MRXNPFEDSA-N 0 3 364.446 2.204 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425985601 559726696 /nfs/dbraw/zinc/72/66/96/559726696.db2.gz RXGDTQXGJQPMAA-UHFFFAOYSA-N 0 3 374.397 2.180 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026748 559789060 /nfs/dbraw/zinc/78/90/60/559789060.db2.gz AATDBSVGTXXMFX-OHDICMOHSA-N 0 3 372.469 2.362 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077814 559871136 /nfs/dbraw/zinc/87/11/36/559871136.db2.gz SULZRNGTHSZXGP-GJZGRUSLSA-N 0 3 358.402 2.418 20 5 FEBDHN O=C(NCCNc1ccncc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433098837 559871770 /nfs/dbraw/zinc/87/17/70/559871770.db2.gz XYMMQGFXZJOYKA-UHFFFAOYSA-N 0 3 365.187 2.016 20 5 FEBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000434791788 559909408 /nfs/dbraw/zinc/90/94/08/559909408.db2.gz BINYNLWPNAJTHJ-HZPDHXFCSA-N 0 3 351.403 2.015 20 5 FEBDHN Cc1c(NC(=O)CCN2CCSC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000438646576 559981677 /nfs/dbraw/zinc/98/16/77/559981677.db2.gz BPHDAOSQPNEIHN-CYBMUJFWSA-N 0 3 353.444 2.032 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000440915974 560019618 /nfs/dbraw/zinc/01/96/18/560019618.db2.gz WTRMDZLHIUWCQZ-GXTWGEPZSA-N 0 3 369.425 2.350 20 5 FEBDHN O=C(NCCNc1ccncc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445182385 560130375 /nfs/dbraw/zinc/13/03/75/560130375.db2.gz MWIZLOFSXRRJQA-UHFFFAOYSA-N 0 3 358.401 2.340 20 5 FEBDHN O=C(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576095 560164747 /nfs/dbraw/zinc/16/47/47/560164747.db2.gz WKKRXOOESYDTNY-DLBZAZTESA-N 0 3 371.441 2.224 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448324080 560184401 /nfs/dbraw/zinc/18/44/01/560184401.db2.gz BHXFUFMXYWCVMZ-HNNXBMFYSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@H](NC1CC1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449070657 560214912 /nfs/dbraw/zinc/21/49/12/560214912.db2.gz LCAZVMVNOCRURI-VIFPVBQESA-N 0 3 360.336 2.282 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000449319496 560225153 /nfs/dbraw/zinc/22/51/53/560225153.db2.gz KCYAINSZUQDOEO-DOMZBBRYSA-N 0 3 361.364 2.379 20 5 FEBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000449672868 560236393 /nfs/dbraw/zinc/23/63/93/560236393.db2.gz NMIUPNANTVZXPW-CQSZACIVSA-N 0 3 358.402 2.069 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000449696525 560237315 /nfs/dbraw/zinc/23/73/15/560237315.db2.gz KFKNFTSKQRPOPE-AWEZNQCLSA-N 0 3 366.849 2.035 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000449713195 560237796 /nfs/dbraw/zinc/23/77/96/560237796.db2.gz WMHIMQFDMQNODK-ZYHUDNBSSA-N 0 3 360.357 2.498 20 5 FEBDHN COc1ccc(OCCN[C@@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000451033479 560283780 /nfs/dbraw/zinc/28/37/80/560283780.db2.gz UMEDWOFJOLOVLF-SFHVURJKSA-N 0 3 362.382 2.185 20 5 FEBDHN CCO[C@@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484793 560309717 /nfs/dbraw/zinc/30/97/17/560309717.db2.gz XSUAELLIGKTBTB-DLBZAZTESA-N 0 3 359.426 2.421 20 5 FEBDHN CS(=O)(=O)N1CC[C@@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549675 560314054 /nfs/dbraw/zinc/31/40/54/560314054.db2.gz QBTIQQSGQLOMRH-GOEBONIOSA-N 0 3 367.471 2.056 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598124 560316669 /nfs/dbraw/zinc/31/66/69/560316669.db2.gz NZBFHCYWRSPRFH-KDOFPFPSSA-N 0 3 367.446 2.421 20 5 FEBDHN CC[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453151161 560383869 /nfs/dbraw/zinc/38/38/69/560383869.db2.gz VPNBPANHPFDROQ-CQSZACIVSA-N 0 3 364.427 2.009 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000454097260 560428939 /nfs/dbraw/zinc/42/89/39/560428939.db2.gz MJMQOSLMXDMMGH-AWEZNQCLSA-N 0 3 362.430 2.091 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCN1CCCO ZINC000454927162 560463799 /nfs/dbraw/zinc/46/37/99/560463799.db2.gz MYWOXEWHSGCMDL-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000455134366 560471301 /nfs/dbraw/zinc/47/13/01/560471301.db2.gz DEADROWYAWIYRV-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000456040779 560505232 /nfs/dbraw/zinc/50/52/32/560505232.db2.gz FDHNOEJIWXLGDV-LRDDRELGSA-N 0 3 357.414 2.453 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000457063488 560546586 /nfs/dbraw/zinc/54/65/86/560546586.db2.gz VTWDXRVMLBRKFN-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458203776 560608789 /nfs/dbraw/zinc/60/87/89/560608789.db2.gz PLCSMIZPGPWHSD-UHFFFAOYSA-N 0 3 365.459 2.142 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000458499530 560627677 /nfs/dbraw/zinc/62/76/77/560627677.db2.gz JWABSENFBVXSKH-HOCLYGCPSA-N 0 3 364.446 2.110 20 5 FEBDHN COc1cccc(C(=O)NCC2(SC)CCN(C)CC2)c1[N+](=O)[O-] ZINC000460978985 560757864 /nfs/dbraw/zinc/75/78/64/560757864.db2.gz KDGLXMCGXXNRJO-UHFFFAOYSA-N 0 3 353.444 2.161 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000470690093 560987527 /nfs/dbraw/zinc/98/75/27/560987527.db2.gz PLVOEOLYZXBBPU-OAHLLOKOSA-N 0 3 363.414 2.374 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473535966 561052179 /nfs/dbraw/zinc/05/21/79/561052179.db2.gz UGSMAYXTDTUVKS-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN COC(=O)COc1ccc(CNC(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000474380641 561072665 /nfs/dbraw/zinc/07/26/65/561072665.db2.gz SYISUPNJLSYNJO-UHFFFAOYSA-N 0 3 354.403 2.033 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000475037785 561088425 /nfs/dbraw/zinc/08/84/25/561088425.db2.gz HKMNPIPUWLTEGT-WMZOPIPTSA-N 0 3 361.421 2.339 20 5 FEBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475306629 561094564 /nfs/dbraw/zinc/09/45/64/561094564.db2.gz SUCYAUBWVFBBOV-INIZCTEOSA-N 0 3 371.441 2.259 20 5 FEBDHN COc1c(C(=O)NCc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000475596645 561100556 /nfs/dbraw/zinc/10/05/56/561100556.db2.gz RCLOTQMYQBGHGY-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COC(=O)CC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000532723768 562486858 /nfs/dbraw/zinc/48/68/58/562486858.db2.gz NEWLVBCXFOZBBZ-UHFFFAOYSA-N 0 3 363.414 2.413 20 5 FEBDHN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000533303125 562504560 /nfs/dbraw/zinc/50/45/60/562504560.db2.gz FQRANZXEOXJZON-ZDUSSCGKSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2nccn2C)C1 ZINC000533866995 562520257 /nfs/dbraw/zinc/52/02/57/562520257.db2.gz PKOUJXMGYUBTHU-AWEZNQCLSA-N 0 3 357.414 2.455 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541814248 562620308 /nfs/dbraw/zinc/62/03/08/562620308.db2.gz DNTUULLVSCPGPY-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000584676836 568193100 /nfs/dbraw/zinc/19/31/00/568193100.db2.gz ACPCRNHGBYLASD-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000570923904 568704235 /nfs/dbraw/zinc/70/42/35/568704235.db2.gz XYJPRBFNGMIRNS-HOCLYGCPSA-N 0 3 367.471 2.262 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640230 599059189 /nfs/dbraw/zinc/05/91/89/599059189.db2.gz YIGQMIAYLXCWKE-CYBMUJFWSA-N 0 3 357.418 2.087 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640230 599059190 /nfs/dbraw/zinc/05/91/90/599059190.db2.gz YIGQMIAYLXCWKE-CYBMUJFWSA-N 0 3 357.418 2.087 20 5 FEBDHN C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419221 599362117 /nfs/dbraw/zinc/36/21/17/599362117.db2.gz FTIRWJUNDKXKIT-ZBEGNZNMSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419221 599362120 /nfs/dbraw/zinc/36/21/20/599362120.db2.gz FTIRWJUNDKXKIT-ZBEGNZNMSA-N 0 3 354.370 2.159 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826499380 608531575 /nfs/dbraw/zinc/53/15/75/608531575.db2.gz GUXLGTLJWNHZIY-MRXNPFEDSA-N 0 3 366.381 2.087 20 5 FEBDHN CC[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585626 674601140 /nfs/dbraw/zinc/60/11/40/674601140.db2.gz VTSCLDOXPBWMSC-CVEARBPZSA-N 0 3 355.460 2.450 20 5 FEBDHN CC[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585629 674601189 /nfs/dbraw/zinc/60/11/89/674601189.db2.gz VTSCLDOXPBWMSC-HOTGVXAUSA-N 0 3 355.460 2.450 20 5 FEBDHN CC(COC(=O)c1ccn(-c2cccc(Br)c2)n1)[N+](=O)[O-] ZINC000813108238 674720675 /nfs/dbraw/zinc/72/06/75/674720675.db2.gz WKJHBYQVHCEVAL-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000563626273 674919428 /nfs/dbraw/zinc/91/94/28/674919428.db2.gz XKBXESGCRIEJES-VIFPVBQESA-N 0 3 369.365 2.409 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000076250129 670545785 /nfs/dbraw/zinc/54/57/85/670545785.db2.gz ONYIPMYNRIEQED-UHFFFAOYSA-N 0 3 350.375 2.417 20 5 FEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)c(Br)c1 ZINC000093434229 670753010 /nfs/dbraw/zinc/75/30/10/670753010.db2.gz GIZMVFQZTPADJA-KOLCDFICSA-N 0 3 357.208 2.027 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000110085780 670847243 /nfs/dbraw/zinc/84/72/43/670847243.db2.gz SJBONDSULPTFEY-LBPRGKRZSA-N 0 3 356.810 2.481 20 5 FEBDHN COc1cc(F)cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000566111674 675181955 /nfs/dbraw/zinc/18/19/55/675181955.db2.gz LDRAVGYHURJPBQ-HNNXBMFYSA-N 0 3 350.346 2.272 20 5 FEBDHN CCCN(CCN1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000575011846 671292563 /nfs/dbraw/zinc/29/25/63/671292563.db2.gz QODJWEYUNFHDTQ-UHFFFAOYSA-N 0 3 351.451 2.214 20 5 FEBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000581920691 671949653 /nfs/dbraw/zinc/94/96/53/671949653.db2.gz ILVNKMWLJNNGEC-SECBINFHSA-N 0 3 364.183 2.402 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261710 675962131 /nfs/dbraw/zinc/96/21/31/675962131.db2.gz ZJOZYAZKSCJUOO-BETUJISGSA-N 0 3 370.475 2.025 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261710 675962134 /nfs/dbraw/zinc/96/21/34/675962134.db2.gz ZJOZYAZKSCJUOO-BETUJISGSA-N 0 3 370.475 2.025 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000589236439 672516202 /nfs/dbraw/zinc/51/62/02/672516202.db2.gz UQEIGRHNWUKOJY-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN CC1(C)CNCCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000591678568 672701085 /nfs/dbraw/zinc/70/10/85/672701085.db2.gz YKVMUVLGKDURRS-UHFFFAOYSA-N 0 3 361.320 2.360 20 5 FEBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591983407 672729121 /nfs/dbraw/zinc/72/91/21/672729121.db2.gz XRGNUBICVNAKKT-JTQLQIEISA-N 0 3 360.336 2.170 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000372005492 673150748 /nfs/dbraw/zinc/15/07/48/673150748.db2.gz AHTNINIFDBYDQV-KRWDZBQOSA-N 0 3 369.849 2.219 20 5 FEBDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595092284 673192440 /nfs/dbraw/zinc/19/24/40/673192440.db2.gz XBPWGQFUFMOEQS-JTQLQIEISA-N 0 3 368.821 2.176 20 5 FEBDHN O=[N+]([O-])c1cncc(Cl)c1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000596147945 673363106 /nfs/dbraw/zinc/36/31/06/673363106.db2.gz YLEVTMMCEMZVRY-QGZVFWFLSA-N 0 3 362.817 2.114 20 5 FEBDHN COCC[N@H+](C)CCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596177574 673365359 /nfs/dbraw/zinc/36/53/59/673365359.db2.gz NASWCBARDDFDEB-UHFFFAOYSA-N 0 3 352.435 2.270 20 5 FEBDHN COCC[N@@H+](C)CCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596177574 673365363 /nfs/dbraw/zinc/36/53/63/673365363.db2.gz NASWCBARDDFDEB-UHFFFAOYSA-N 0 3 352.435 2.270 20 5 FEBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693058 673499656 /nfs/dbraw/zinc/49/96/56/673499656.db2.gz ADLSFRBSWQXUGP-JKSUJKDBSA-N 0 3 365.455 2.009 20 5 FEBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C)C1 ZINC000597945561 673522371 /nfs/dbraw/zinc/52/23/71/673522371.db2.gz IHZFWCXYHFIIEO-CYBMUJFWSA-N 0 3 370.247 2.452 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632059 673700065 /nfs/dbraw/zinc/70/00/65/673700065.db2.gz RSSGSFKZXJUANQ-OKXMYEFYSA-N 0 3 365.455 2.217 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000546731646 673813997 /nfs/dbraw/zinc/81/39/97/673813997.db2.gz VZEMGNDBWIVBMN-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c([N+](=O)[O-])s1 ZINC000601443712 673863384 /nfs/dbraw/zinc/86/33/84/673863384.db2.gz KXTCHIPMSSELIJ-UHFFFAOYSA-N 0 3 361.489 2.460 20 5 FEBDHN Cc1c(CNC[C@@H](O)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819259329 675274732 /nfs/dbraw/zinc/27/47/32/675274732.db2.gz HBOBQYFFSCBEMJ-AWEZNQCLSA-N 0 3 353.419 2.269 20 5 FEBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000567522911 675299987 /nfs/dbraw/zinc/29/99/87/675299987.db2.gz DQUOIHJJBFCARI-LBPRGKRZSA-N 0 3 366.443 2.150 20 5 FEBDHN C[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587958 675304405 /nfs/dbraw/zinc/30/44/05/675304405.db2.gz DKYDAFWEIMBHGK-LDYMZIIASA-N 0 3 362.167 2.466 20 5 FEBDHN CO[C@@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000615732056 676225575 /nfs/dbraw/zinc/22/55/75/676225575.db2.gz QRCMTKIUXPZRDF-ZDUSSCGKSA-N 0 3 350.293 2.423 20 5 FEBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000825553754 675658398 /nfs/dbraw/zinc/65/83/98/675658398.db2.gz BGYJDFWYXMQBMD-UHFFFAOYSA-N 0 3 355.822 2.397 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000839412524 680751982 /nfs/dbraw/zinc/75/19/82/680751982.db2.gz VQUWWWHIYUTWKT-MFKMUULPSA-N 0 3 354.204 2.133 20 5 FEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082405 680771677 /nfs/dbraw/zinc/77/16/77/680771677.db2.gz FVBGAQAQQUTNGC-VHSXEESVSA-N 0 3 357.794 2.364 20 5 FEBDHN O=C(NCC1CCN(Cc2ccc(F)cc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001393366 680460074 /nfs/dbraw/zinc/46/00/74/680460074.db2.gz AQCHSLKEPJNEPA-GDBMZVCRSA-N 0 3 369.824 2.473 20 5 FEBDHN C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000771505119 681057679 /nfs/dbraw/zinc/05/76/79/681057679.db2.gz WPXAKRWYJSPSJV-LLVKDONJSA-N 0 3 363.443 2.450 20 5 FEBDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846204821 681200537 /nfs/dbraw/zinc/20/05/37/681200537.db2.gz CSEOOHNQUBOVGI-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCOC23CCCC3)cc1 ZINC000934384037 681562259 /nfs/dbraw/zinc/56/22/59/681562259.db2.gz BGDPFEUYKCKBSL-HNNXBMFYSA-N 0 3 354.428 2.060 20 5 FEBDHN CCc1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c([N+](=O)[O-])c1 ZINC000914119349 685495171 /nfs/dbraw/zinc/49/51/71/685495171.db2.gz IKCJDWIFFBPESI-INIZCTEOSA-N 0 3 354.428 2.352 20 5 FEBDHN CC[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000914226980 685499766 /nfs/dbraw/zinc/49/97/66/685499766.db2.gz DPJWLKCHVVBXDE-IRXDYDNUSA-N 0 3 367.471 2.451 20 5 FEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000915297526 685514086 /nfs/dbraw/zinc/51/40/86/685514086.db2.gz PBYAZPGVJYQHIM-NWDGAFQWSA-N 0 3 350.375 2.496 20 5 FEBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000784822375 682254441 /nfs/dbraw/zinc/25/44/41/682254441.db2.gz UUQWXTARDIEIJZ-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852321193 682260064 /nfs/dbraw/zinc/26/00/64/682260064.db2.gz JUJLXRSVEAYOCH-CQSZACIVSA-N 0 3 371.821 2.218 20 5 FEBDHN COC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000852320949 682260229 /nfs/dbraw/zinc/26/02/29/682260229.db2.gz HUVYXWAIIDFXRW-CQSZACIVSA-N 0 3 371.821 2.218 20 5 FEBDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584643 682304878 /nfs/dbraw/zinc/30/48/78/682304878.db2.gz PJKTVMJCRTXPRT-FZZIBODNSA-N 0 3 353.806 2.468 20 5 FEBDHN COc1cccc(COCC(=N)NOCc2onc(C)c2[N+](=O)[O-])c1 ZINC000853660126 682453391 /nfs/dbraw/zinc/45/33/91/682453391.db2.gz UBJHMDPYAIGWSJ-UHFFFAOYSA-N 0 3 350.331 2.115 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000862628988 683610587 /nfs/dbraw/zinc/61/05/87/683610587.db2.gz LSFPRSPZGFCUDA-GFCCVEGCSA-N 0 3 350.394 2.453 20 5 FEBDHN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000867698183 684354511 /nfs/dbraw/zinc/35/45/11/684354511.db2.gz SKBXFVLPPSQEPI-UHFFFAOYSA-N 0 3 368.231 2.206 20 5 FEBDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000924009057 684387640 /nfs/dbraw/zinc/38/76/40/684387640.db2.gz SLJGGJRLFAHWMM-SKDRFNHKSA-N 0 3 371.235 2.249 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N1CCN(C)CC1 ZINC000872031784 684916258 /nfs/dbraw/zinc/91/62/58/684916258.db2.gz MRCKOGUOMBMSTC-ZDUSSCGKSA-N 0 3 366.487 2.131 20 5 FEBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)CCc2ccccc2)cc1 ZINC000877501137 686392818 /nfs/dbraw/zinc/39/28/18/686392818.db2.gz JHLBGAIWEDARBL-UHFFFAOYSA-N 0 3 362.451 2.384 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882769328 687480667 /nfs/dbraw/zinc/48/06/67/687480667.db2.gz QXGVOYSWEDTLIG-UHFFFAOYSA-N 0 3 367.471 2.406 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478477 687642813 /nfs/dbraw/zinc/64/28/13/687642813.db2.gz LARUFDGMIRSYIS-UHFFFAOYSA-N 0 3 373.862 2.463 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCOCC1 ZINC000885859418 688171003 /nfs/dbraw/zinc/17/10/03/688171003.db2.gz ZSXXZSICLHELAB-OAHLLOKOSA-N 0 3 365.455 2.056 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000885892883 688179760 /nfs/dbraw/zinc/17/97/60/688179760.db2.gz FSYWFIIDFKTVRA-GFCCVEGCSA-N 0 3 371.796 2.370 20 5 FEBDHN COCCN1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906596199 691289544 /nfs/dbraw/zinc/28/95/44/691289544.db2.gz CRSREVFXDVEEES-AWEZNQCLSA-N 0 3 369.849 2.408 20 5 FEBDHN CN1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1(C)C ZINC000908002262 691596106 /nfs/dbraw/zinc/59/61/06/691596106.db2.gz POKVPNAAWCTNCC-UHFFFAOYSA-N 0 3 372.828 2.143 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984081 722105849 /nfs/dbraw/zinc/10/58/49/722105849.db2.gz RRDHSUWDEIFYLA-SJORKVTESA-N 0 3 369.425 2.112 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000014327686 539601707 /nfs/dbraw/zinc/60/17/07/539601707.db2.gz MRXIQZXWDHSFTQ-UHFFFAOYSA-N 0 3 350.375 2.342 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000030008844 539872326 /nfs/dbraw/zinc/87/23/26/539872326.db2.gz FLCHKSZNVFNVST-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032664516 539946913 /nfs/dbraw/zinc/94/69/13/539946913.db2.gz HAYDCSGPOCJDTL-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045134107 540204685 /nfs/dbraw/zinc/20/46/85/540204685.db2.gz JXIUBUKXTDOYOY-UHFFFAOYSA-N 0 3 373.457 2.053 20 5 FEBDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000045798364 540228788 /nfs/dbraw/zinc/22/87/88/540228788.db2.gz PBRSOVYFDUHAPO-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN O=C(NCCN1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047839497 540330629 /nfs/dbraw/zinc/33/06/29/540330629.db2.gz DHLNJPGEJOHRGY-UHFFFAOYSA-N 0 3 361.320 2.362 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000052660702 540480261 /nfs/dbraw/zinc/48/02/61/540480261.db2.gz YQEYTWHNJDGEOM-CQSZACIVSA-N 0 3 364.446 2.204 20 5 FEBDHN CCN1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053140010 540512854 /nfs/dbraw/zinc/51/28/54/540512854.db2.gz IQEVLQYUFMIMLN-UHFFFAOYSA-N 0 3 357.414 2.209 20 5 FEBDHN CC[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(CC)CC ZINC000538823447 540895632 /nfs/dbraw/zinc/89/56/32/540895632.db2.gz YHFXCBZZDRWMSP-INIZCTEOSA-N 0 3 374.445 2.187 20 5 FEBDHN Cc1ccc(CN(CCN(C)C)C(=O)COc2ccccc2[N+](=O)[O-])o1 ZINC000060407614 541111110 /nfs/dbraw/zinc/11/11/10/541111110.db2.gz NGIIEBIPTQMLLR-UHFFFAOYSA-N 0 3 361.398 2.465 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000061502649 541131543 /nfs/dbraw/zinc/13/15/43/541131543.db2.gz RYUHYCUISBUESJ-INIZCTEOSA-N 0 3 357.414 2.053 20 5 FEBDHN Cc1cc(C(=O)NC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000065954122 541273832 /nfs/dbraw/zinc/27/38/32/541273832.db2.gz PHLCDTRMTMUHPL-UHFFFAOYSA-N 0 3 358.398 2.328 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000066270045 541296736 /nfs/dbraw/zinc/29/67/36/541296736.db2.gz JVYGCYPOOZIOBF-MRXNPFEDSA-N 0 3 371.393 2.399 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000066484011 541325974 /nfs/dbraw/zinc/32/59/74/541325974.db2.gz WWFABPZQJZYPJZ-ROUUACIJSA-N 0 3 352.431 2.362 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000067764257 541510284 /nfs/dbraw/zinc/51/02/84/541510284.db2.gz KLIVQXIRWFPWTA-CQSZACIVSA-N 0 3 362.430 2.078 20 5 FEBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000077005923 542342373 /nfs/dbraw/zinc/34/23/73/542342373.db2.gz JIFMDNUVOFTTOI-HNNXBMFYSA-N 0 3 355.822 2.071 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000077451312 542382999 /nfs/dbraw/zinc/38/29/99/542382999.db2.gz FMBXTIFUIOYZOC-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 ZINC000078262986 542450804 /nfs/dbraw/zinc/45/08/04/542450804.db2.gz OBBSLJWOCVDGNQ-AWEZNQCLSA-N 0 3 370.400 2.412 20 5 FEBDHN CN1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000247419293 549331825 /nfs/dbraw/zinc/33/18/25/549331825.db2.gz NUTRKTIXJRMTJV-WBMJQRKESA-N 0 3 363.443 2.052 20 5 FEBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000102648593 543076095 /nfs/dbraw/zinc/07/60/95/543076095.db2.gz QSUOGHTUGYDLNQ-BETUJISGSA-N 0 3 351.403 2.149 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104532393 543133883 /nfs/dbraw/zinc/13/38/83/543133883.db2.gz XQNPMWQLWGGUOO-CQSZACIVSA-N 0 3 360.414 2.259 20 5 FEBDHN C[C@@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106097871 543195175 /nfs/dbraw/zinc/19/51/75/543195175.db2.gz BQKKXQNWMJQSKH-LSDHHAIUSA-N 0 3 374.441 2.179 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891632 543252952 /nfs/dbraw/zinc/25/29/52/543252952.db2.gz USCBXRCQOHLSIL-CQSZACIVSA-N 0 3 367.471 2.452 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1C ZINC000115585879 543575824 /nfs/dbraw/zinc/57/58/24/543575824.db2.gz VKQRQUJFNNAXEZ-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372141 543607775 /nfs/dbraw/zinc/60/77/75/543607775.db2.gz CGMPMHSKKFHDAZ-HNNXBMFYSA-N 0 3 373.475 2.248 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000123787845 543782550 /nfs/dbraw/zinc/78/25/50/543782550.db2.gz GZXLSNJULRQZDG-CJNGLKHVSA-N 0 3 357.414 2.335 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128522108 544057189 /nfs/dbraw/zinc/05/71/89/544057189.db2.gz KHKULOYRTLHOJD-MRXNPFEDSA-N 0 3 362.430 2.160 20 5 FEBDHN COc1ccc(OCCN[C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000132261637 544224762 /nfs/dbraw/zinc/22/47/62/544224762.db2.gz ONPLFMMLLASWNC-IBGZPJMESA-N 0 3 358.394 2.406 20 5 FEBDHN NC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328337 /nfs/dbraw/zinc/32/83/37/544328337.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 0 3 358.442 2.142 20 5 FEBDHN CS(=O)(=O)N1CCC[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135238534 544338736 /nfs/dbraw/zinc/33/87/36/544338736.db2.gz ZHBOQISZLNDXQE-AWEZNQCLSA-N 0 3 367.471 2.231 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135715204 544359301 /nfs/dbraw/zinc/35/93/01/544359301.db2.gz DJWBDHHENZYQBC-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136548577 544374348 /nfs/dbraw/zinc/37/43/48/544374348.db2.gz KCEMGYQVJMMNBH-STQMWFEESA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1C ZINC000247525065 549350162 /nfs/dbraw/zinc/35/01/62/549350162.db2.gz OLRRIKOLSCPOKV-GOEBONIOSA-N 0 3 367.471 2.316 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000153374451 544767655 /nfs/dbraw/zinc/76/76/55/544767655.db2.gz RHJFVEAACUYWEE-CQSZACIVSA-N 0 3 353.444 2.031 20 5 FEBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154319852 544890125 /nfs/dbraw/zinc/89/01/25/544890125.db2.gz DRLSLUSFRVWYSN-UHFFFAOYSA-N 0 3 361.851 2.104 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154966010 544971557 /nfs/dbraw/zinc/97/15/57/544971557.db2.gz JFENZHMZAPTTKF-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000181177488 327719361 /nfs/dbraw/zinc/71/93/61/327719361.db2.gz DAPZQDUEIPCZTC-UHFFFAOYSA-N 0 3 369.328 2.207 20 5 FEBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183346603 327812734 /nfs/dbraw/zinc/81/27/34/327812734.db2.gz VIVYUTJWAKXMTI-NSHDSACASA-N 0 3 361.402 2.325 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000187316893 328015986 /nfs/dbraw/zinc/01/59/86/328015986.db2.gz PKCCUIAKYRQGJW-GOSISDBHSA-N 0 3 373.457 2.454 20 5 FEBDHN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1CC(C)(C)O ZINC000188897588 328116380 /nfs/dbraw/zinc/11/63/80/328116380.db2.gz GWPGQTVHOWVKHN-LBPRGKRZSA-N 0 3 373.400 2.473 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000189973024 328179860 /nfs/dbraw/zinc/17/98/60/328179860.db2.gz QLDLHHZEIHRUFF-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccs2)n1 ZINC000191662301 328276229 /nfs/dbraw/zinc/27/62/29/328276229.db2.gz UAPXSNQALYAZKG-UHFFFAOYSA-N 0 3 351.432 2.077 20 5 FEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191793750 328282263 /nfs/dbraw/zinc/28/22/63/328282263.db2.gz XJPVCBQBWBJAOX-TZMCWYRMSA-N 0 3 363.414 2.363 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000192459071 328320130 /nfs/dbraw/zinc/32/01/30/328320130.db2.gz ZFBCKMKUNMRKQB-QGZVFWFLSA-N 0 3 369.421 2.400 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193516903 328379662 /nfs/dbraw/zinc/37/96/62/328379662.db2.gz RSFDRVGPMHMUFL-IBGZPJMESA-N 0 3 356.426 2.250 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000193919803 328402191 /nfs/dbraw/zinc/40/21/91/328402191.db2.gz LFQMDGOLKKLOKF-UHFFFAOYSA-N 0 3 355.460 2.444 20 5 FEBDHN CCCN1CCC(N(C)c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000077939988 325026666 /nfs/dbraw/zinc/02/66/66/325026666.db2.gz FXMRQFYCGQSWCF-UHFFFAOYSA-N 0 3 350.419 2.477 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000079437519 325090743 /nfs/dbraw/zinc/09/07/43/325090743.db2.gz KNMKPOATVHKSAF-UHFFFAOYSA-N 0 3 356.426 2.409 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080125856 325118695 /nfs/dbraw/zinc/11/86/95/325118695.db2.gz KPNUWBJZFYMIJV-MRXNPFEDSA-N 0 3 364.446 2.240 20 5 FEBDHN C[C@@H](CCc1ccco1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015276 325351534 /nfs/dbraw/zinc/35/15/34/325351534.db2.gz YCJQOFLKVMLSCG-ZDUSSCGKSA-N 0 3 367.427 2.077 20 5 FEBDHN CCOc1ccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091813552 325394835 /nfs/dbraw/zinc/39/48/35/325394835.db2.gz HFIKUSQROLUIMJ-GOSISDBHSA-N 0 3 372.425 2.340 20 5 FEBDHN COc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)N(C)C)cc1OC ZINC000114708549 325915110 /nfs/dbraw/zinc/91/51/10/325915110.db2.gz SBJJMPJSLJEFRJ-CYBMUJFWSA-N 0 3 363.418 2.369 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119395330 326157382 /nfs/dbraw/zinc/15/73/82/326157382.db2.gz FWDLHLSPFWTNGY-UHFFFAOYSA-N 0 3 361.439 2.476 20 5 FEBDHN Cc1c(Br)cc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000119779113 326197253 /nfs/dbraw/zinc/19/72/53/326197253.db2.gz SKYBNQFLDULPKZ-LLVKDONJSA-N 0 3 356.220 2.490 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120954925 326302102 /nfs/dbraw/zinc/30/21/02/326302102.db2.gz OCIJFRWXAPFRQR-NVXWUHKLSA-N 0 3 367.471 2.026 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000160959401 326983244 /nfs/dbraw/zinc/98/32/44/326983244.db2.gz XEGFLFADGNNSRS-HNNXBMFYSA-N 0 3 369.487 2.179 20 5 FEBDHN COCCCN1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000171124670 327119670 /nfs/dbraw/zinc/11/96/70/327119670.db2.gz VIKQHYLCFLNUKN-UHFFFAOYSA-N 0 3 364.446 2.014 20 5 FEBDHN O=[N+]([O-])c1cc(CNCC2CCN(S(=O)(=O)C(F)F)CC2)cs1 ZINC000171842268 327165037 /nfs/dbraw/zinc/16/50/37/327165037.db2.gz GXYYGGQYEJZNJQ-UHFFFAOYSA-N 0 3 369.415 2.010 20 5 FEBDHN O=C(CN1CCCN(C2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172348158 327197190 /nfs/dbraw/zinc/19/71/90/327197190.db2.gz NQPXEXMYCWHXTK-UHFFFAOYSA-N 0 3 352.822 2.357 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)N3C(C)C)cc1[N+](=O)[O-] ZINC000173279764 327246127 /nfs/dbraw/zinc/24/61/27/327246127.db2.gz CBAHLYXTDDYCPJ-JKSUJKDBSA-N 0 3 374.441 2.315 20 5 FEBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173634292 327272596 /nfs/dbraw/zinc/27/25/96/327272596.db2.gz OWAYEFQYTGELTG-ZDUSSCGKSA-N 0 3 371.434 2.230 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000173668166 327275032 /nfs/dbraw/zinc/27/50/32/327275032.db2.gz AGFLRVMXFAMOCD-ZDUSSCGKSA-N 0 3 371.459 2.098 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000174184684 327311287 /nfs/dbraw/zinc/31/12/87/327311287.db2.gz NAUDTCAKHPEGBD-TZMCWYRMSA-N 0 3 350.419 2.228 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000175019964 327368555 /nfs/dbraw/zinc/36/85/55/327368555.db2.gz NXVOIFQQKZDVPN-UHFFFAOYSA-N 0 3 356.426 2.409 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)c1C ZINC000262213502 328851672 /nfs/dbraw/zinc/85/16/72/328851672.db2.gz LVQFCKZZCZEHSL-CQSZACIVSA-N 0 3 361.423 2.290 20 5 FEBDHN CN1CCC(Nc2ccccc2NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000264244107 329004044 /nfs/dbraw/zinc/00/40/44/329004044.db2.gz ZYOFCPYNEZZYCA-UHFFFAOYSA-N 0 3 372.429 2.326 20 5 FEBDHN Cn1cc(CNCCN2CCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264858362 329068176 /nfs/dbraw/zinc/06/81/76/329068176.db2.gz NUSQGFAMBJMFLD-UHFFFAOYSA-N 0 3 361.471 2.134 20 5 FEBDHN COCCCN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265751014 329156651 /nfs/dbraw/zinc/15/66/51/329156651.db2.gz DYWRAFWVSJRAMP-UHFFFAOYSA-N 0 3 363.458 2.490 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000265790096 329160455 /nfs/dbraw/zinc/16/04/55/329160455.db2.gz LXERHUPMNDUSPE-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN CCCc1n[nH]c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000265985359 329179422 /nfs/dbraw/zinc/17/94/22/329179422.db2.gz OTDCNANNQFVHDM-UHFFFAOYSA-N 0 3 371.441 2.099 20 5 FEBDHN COc1ccc(NC(=O)CCN(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266734434 329254166 /nfs/dbraw/zinc/25/41/66/329254166.db2.gz OMIFDYDISZMTPU-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267479892 329331777 /nfs/dbraw/zinc/33/17/77/329331777.db2.gz UYFCITZMXVVAKW-CZUORRHYSA-N 0 3 371.441 2.277 20 5 FEBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156095 329391296 /nfs/dbraw/zinc/39/12/96/329391296.db2.gz HDOIUUDXJNCSJY-YMTOWFKASA-N 0 3 362.386 2.332 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275461972 330051518 /nfs/dbraw/zinc/05/15/18/330051518.db2.gz NLVWRUUSZCXOAU-HNNXBMFYSA-N 0 3 351.403 2.025 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000411374415 330255282 /nfs/dbraw/zinc/25/52/82/330255282.db2.gz CFWMOMOHJLLRKS-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN O=C(CCN1CC[C@H](Oc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352366 545620940 /nfs/dbraw/zinc/62/09/40/545620940.db2.gz MIBHCNCWVPQFJK-HNNXBMFYSA-N 0 3 356.382 2.472 20 5 FEBDHN CCOCCO[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157800429 545786463 /nfs/dbraw/zinc/78/64/63/545786463.db2.gz FWSPAHBBCYQDFB-AWEZNQCLSA-N 0 3 351.403 2.051 20 5 FEBDHN CN(C)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC1 ZINC000480457578 561209611 /nfs/dbraw/zinc/20/96/11/561209611.db2.gz CAQAAEUXVRDQTK-MRXNPFEDSA-N 0 3 357.414 2.311 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031986 546527901 /nfs/dbraw/zinc/52/79/01/546527901.db2.gz OYHZJRNWPGENOF-BXUZGUMPSA-N 0 3 361.398 2.127 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CN1C1CC1 ZINC000177094499 546543963 /nfs/dbraw/zinc/54/39/63/546543963.db2.gz NIALHKMTZBCBHD-JSGCOSHPSA-N 0 3 355.398 2.136 20 5 FEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000480736362 561215569 /nfs/dbraw/zinc/21/55/69/561215569.db2.gz MVUNZRWDLGIRPE-LBPRGKRZSA-N 0 3 366.443 2.152 20 5 FEBDHN Cn1c(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000482798946 561260288 /nfs/dbraw/zinc/26/02/88/561260288.db2.gz SPAGCJRULKMJSP-UHFFFAOYSA-N 0 3 366.487 2.415 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000483400463 561276073 /nfs/dbraw/zinc/27/60/73/561276073.db2.gz CGRRYWKYDPADSF-HZPDHXFCSA-N 0 3 367.446 2.315 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000183297701 547635458 /nfs/dbraw/zinc/63/54/58/547635458.db2.gz MLBANIGJHSKUAK-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183421852 547655489 /nfs/dbraw/zinc/65/54/89/547655489.db2.gz ZBFFERCFLABCGM-HNNXBMFYSA-N 0 3 369.487 2.321 20 5 FEBDHN O=C(CN[C@@H](CCO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183711860 547705783 /nfs/dbraw/zinc/70/57/83/547705783.db2.gz XGFIUXHVNIKJJQ-KRWDZBQOSA-N 0 3 361.442 2.405 20 5 FEBDHN Cc1cccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000183782428 547718794 /nfs/dbraw/zinc/71/87/94/547718794.db2.gz CZZPNUFCZWWGCJ-QGZVFWFLSA-N 0 3 369.421 2.400 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183779439 547718843 /nfs/dbraw/zinc/71/88/43/547718843.db2.gz XAJCZWGBDXGEGM-GOSISDBHSA-N 0 3 355.394 2.091 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184318908 547806307 /nfs/dbraw/zinc/80/63/07/547806307.db2.gz ATYMXIOGVZBYSW-UTZKEFOASA-N 0 3 360.458 2.140 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000184759352 547876145 /nfs/dbraw/zinc/87/61/45/547876145.db2.gz OBYWVITUQOWQSG-WMZOPIPTSA-N 0 3 363.458 2.391 20 5 FEBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184937460 547903685 /nfs/dbraw/zinc/90/36/85/547903685.db2.gz LJLPMJDOVPXTCU-HNNXBMFYSA-N 0 3 369.425 2.166 20 5 FEBDHN CCN1CCN(CCCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185055794 547924383 /nfs/dbraw/zinc/92/43/83/547924383.db2.gz LLAHRXBXWOTBGI-FOCLMDBBSA-N 0 3 360.458 2.142 20 5 FEBDHN COCCN1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185121846 547935793 /nfs/dbraw/zinc/93/57/93/547935793.db2.gz OZLBGMQOENPOGB-LBPRGKRZSA-N 0 3 353.394 2.064 20 5 FEBDHN COCCN1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185121867 547936033 /nfs/dbraw/zinc/93/60/33/547936033.db2.gz OZLBGMQOENPOGB-GFCCVEGCSA-N 0 3 353.394 2.064 20 5 FEBDHN COCCCN1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185169310 547946110 /nfs/dbraw/zinc/94/61/10/547946110.db2.gz LYQRXMVYKARBCT-ZDUSSCGKSA-N 0 3 367.421 2.455 20 5 FEBDHN CSc1cccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000485500219 561320544 /nfs/dbraw/zinc/32/05/44/561320544.db2.gz XTJGVRBRONLNIB-AAEUAGOBSA-N 0 3 355.485 2.434 20 5 FEBDHN COc1cc(C(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000187021429 548243154 /nfs/dbraw/zinc/24/31/54/548243154.db2.gz VJPSSEMZJJEHKB-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN O=C(c1ccco1)N1CCC(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194197555 548448155 /nfs/dbraw/zinc/44/81/55/548448155.db2.gz GYLASLJMAAOMFN-UHFFFAOYSA-N 0 3 374.353 2.490 20 5 FEBDHN CCOc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152328 561364941 /nfs/dbraw/zinc/36/49/41/561364941.db2.gz RQFPCIVPQREUFO-DOTOQJQBSA-N 0 3 362.474 2.456 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509400 548652649 /nfs/dbraw/zinc/65/26/49/548652649.db2.gz GEONUMRJPGHOHP-UHFFFAOYSA-N 0 3 360.414 2.042 20 5 FEBDHN CC(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000488013626 561381377 /nfs/dbraw/zinc/38/13/77/561381377.db2.gz WVADBRKNYAHMCP-OAHLLOKOSA-N 0 3 354.838 2.459 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246065351 549044436 /nfs/dbraw/zinc/04/44/36/549044436.db2.gz DPTKRTHNMONDTQ-DZGCQCFKSA-N 0 3 355.460 2.254 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246177976 549070735 /nfs/dbraw/zinc/07/07/35/549070735.db2.gz GVIAUUMTGUSRAI-SWLSCSKDSA-N 0 3 350.419 2.085 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246218192 549081730 /nfs/dbraw/zinc/08/17/30/549081730.db2.gz PTMOWNADTUXOSL-ZWNOBZJWSA-N 0 3 361.851 2.209 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000488716136 561395107 /nfs/dbraw/zinc/39/51/07/561395107.db2.gz QWKXFZCSOJFMKD-IBGZPJMESA-N 0 3 369.425 2.091 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762131 561396426 /nfs/dbraw/zinc/39/64/26/561396426.db2.gz CKXLHXROVAJKHN-MKBNYLNASA-N 0 3 357.414 2.410 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247094847 549283105 /nfs/dbraw/zinc/28/31/05/549283105.db2.gz PRHJGLOBTPZFEA-DGCLKSJQSA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248132125 549409010 /nfs/dbraw/zinc/40/90/10/549409010.db2.gz WRMVCACAYVZOOC-QAPCUYQASA-N 0 3 357.414 2.051 20 5 FEBDHN CCN1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248453445 549440653 /nfs/dbraw/zinc/44/06/53/549440653.db2.gz JZVJNGZNTWDYTE-YOEHRIQHSA-N 0 3 369.487 2.031 20 5 FEBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463937 549445212 /nfs/dbraw/zinc/44/52/12/549445212.db2.gz QTCIURUHDLSIER-JKSUJKDBSA-N 0 3 374.441 2.023 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248847569 549512421 /nfs/dbraw/zinc/51/24/21/549512421.db2.gz UXXDWUHKQYZITM-DOMZBBRYSA-N 0 3 357.414 2.131 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249149444 549561021 /nfs/dbraw/zinc/56/10/21/549561021.db2.gz XJPVCBQBWBJAOX-JSGCOSHPSA-N 0 3 363.414 2.363 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000253352804 549682768 /nfs/dbraw/zinc/68/27/68/549682768.db2.gz RIYDYGPAQLVPKR-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN NC(=O)c1ccc(CN2CCNC[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000262124580 549791206 /nfs/dbraw/zinc/79/12/06/549791206.db2.gz CJWBHYROQQHWKQ-QGZVFWFLSA-N 0 3 374.828 2.494 20 5 FEBDHN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746891 549845558 /nfs/dbraw/zinc/84/55/58/549845558.db2.gz AMQNRHXOHAPYQK-RKDXNWHRSA-N 0 3 367.349 2.032 20 5 FEBDHN COCCN(C)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264048887 549972535 /nfs/dbraw/zinc/97/25/35/549972535.db2.gz AQWZFUZPMJIVSI-UHFFFAOYSA-N 0 3 371.459 2.023 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147486 550160716 /nfs/dbraw/zinc/16/07/16/550160716.db2.gz QBLHMMYQYJMXBQ-WCQYABFASA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000493608132 561457209 /nfs/dbraw/zinc/45/72/09/561457209.db2.gz ZQUPQRKOWIRTCF-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870958 550315878 /nfs/dbraw/zinc/31/58/78/550315878.db2.gz OCJPTJYNRXBODF-HKUYNNGSSA-N 0 3 369.421 2.208 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000270973275 550327190 /nfs/dbraw/zinc/32/71/90/550327190.db2.gz UFJWCUZTDJEDLX-DZGCQCFKSA-N 0 3 357.414 2.111 20 5 FEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CN(C)CCN1C ZINC000271192407 550350632 /nfs/dbraw/zinc/35/06/32/550350632.db2.gz XUBOVBXONFXVKD-HUUCEWRRSA-N 0 3 352.504 2.301 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328726 550438322 /nfs/dbraw/zinc/43/83/22/550438322.db2.gz LAHOKGBJXDGEJT-ZWNOBZJWSA-N 0 3 361.427 2.156 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272333049 550438326 /nfs/dbraw/zinc/43/83/26/550438326.db2.gz AKOJLTMDAYYHMM-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272698258 550466042 /nfs/dbraw/zinc/46/60/42/550466042.db2.gz YEYNZGRDEPRWBH-RDTXWAMCSA-N 0 3 358.442 2.361 20 5 FEBDHN CC(C)N1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272839216 550472905 /nfs/dbraw/zinc/47/29/05/550472905.db2.gz LSCMQWMRMCXDAK-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN O=[N+]([O-])c1c(NCc2ccccc2CN2CC[C@@H](O)C2)nc2sccn21 ZINC000273204798 550489594 /nfs/dbraw/zinc/48/95/94/550489594.db2.gz OPGBUGOKHKMQIC-CQSZACIVSA-N 0 3 373.438 2.483 20 5 FEBDHN Cc1ccsc1[C@H](CO)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669568 561473853 /nfs/dbraw/zinc/47/38/53/561473853.db2.gz CDPHSUGUCPTMQI-OLZOCXBDSA-N 0 3 352.412 2.028 20 5 FEBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278760167 550819208 /nfs/dbraw/zinc/81/92/08/550819208.db2.gz KPUIFOHICUUSKZ-RCBQFDQVSA-N 0 3 351.403 2.096 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278768760 550820061 /nfs/dbraw/zinc/82/00/61/550820061.db2.gz OHANMGBMJWEALD-LBPRGKRZSA-N 0 3 350.375 2.193 20 5 FEBDHN COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823332 550825981 /nfs/dbraw/zinc/82/59/81/550825981.db2.gz CMPYZMNZVLQXIX-JKSUJKDBSA-N 0 3 368.821 2.125 20 5 FEBDHN Cc1ccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000279597584 550907103 /nfs/dbraw/zinc/90/71/03/550907103.db2.gz VXVRYLGAQXTQOV-LBPRGKRZSA-N 0 3 358.398 2.109 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000495471500 561488650 /nfs/dbraw/zinc/48/86/50/561488650.db2.gz YJLVLJNERPWBDK-UAGQMJEPSA-N 0 3 352.431 2.063 20 5 FEBDHN C[C@@H]1OCC[C@]12CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969343 550948259 /nfs/dbraw/zinc/94/82/59/550948259.db2.gz YUJKKLYQPZSVKY-GLJUWKHASA-N 0 3 363.414 2.192 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@]1(CO)CCCc2ccccc21 ZINC000281569569 551114416 /nfs/dbraw/zinc/11/44/16/551114416.db2.gz CMAMCDNVTDSUDW-JXFKEZNVSA-N 0 3 372.421 2.148 20 5 FEBDHN COCC[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746347 551265902 /nfs/dbraw/zinc/26/59/02/551265902.db2.gz NLWFKIVPSBWRAQ-CZUORRHYSA-N 0 3 356.444 2.163 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359183 551743795 /nfs/dbraw/zinc/74/37/95/551743795.db2.gz QDPDKKPJYGPAQK-YOEHRIQHSA-N 0 3 367.471 2.026 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000498885164 561536802 /nfs/dbraw/zinc/53/68/02/561536802.db2.gz WWRRTEFVHSZENZ-ZDUSSCGKSA-N 0 3 355.460 2.087 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021730 551839725 /nfs/dbraw/zinc/83/97/25/551839725.db2.gz ZOJRHVMZSDPKKG-OCCSQVGLSA-N 0 3 363.414 2.311 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OCCN(C)C)cc2)n1 ZINC000286171796 551857345 /nfs/dbraw/zinc/85/73/45/551857345.db2.gz CXJHMKNSIURTCP-UHFFFAOYSA-N 0 3 374.397 2.329 20 5 FEBDHN O=[N+]([O-])c1cc(F)c(CN2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000286285959 551869980 /nfs/dbraw/zinc/86/99/80/551869980.db2.gz FUZMSCIINLWHOE-UHFFFAOYSA-N 0 3 355.385 2.417 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499936116 561562333 /nfs/dbraw/zinc/56/23/33/561562333.db2.gz ZOGUUTCJMXAKEP-QGZVFWFLSA-N 0 3 374.441 2.119 20 5 FEBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500004168 561563856 /nfs/dbraw/zinc/56/38/56/561563856.db2.gz KIPWJYLTJBSQTA-NVXWUHKLSA-N 0 3 371.441 2.475 20 5 FEBDHN C[C@H](CCCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289509403 552332761 /nfs/dbraw/zinc/33/27/61/552332761.db2.gz MWVVOWFSNHUGRG-SECBINFHSA-N 0 3 364.183 2.450 20 5 FEBDHN CCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000500491952 561574859 /nfs/dbraw/zinc/57/48/59/561574859.db2.gz PKFLKYKSGKPKEL-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCn1cc(CO)nn1 ZINC000291509055 552631876 /nfs/dbraw/zinc/63/18/76/552631876.db2.gz IEXZMJZBTDBKDK-UHFFFAOYSA-N 0 3 360.201 2.165 20 5 FEBDHN C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CN(C)C ZINC000291686773 552651028 /nfs/dbraw/zinc/65/10/28/552651028.db2.gz FTJRVNSVEPCXKW-VIFPVBQESA-N 0 3 351.375 2.201 20 5 FEBDHN COc1cccc(C(=O)NCCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293742637 552851892 /nfs/dbraw/zinc/85/18/92/552851892.db2.gz NQMLBEPSSFUJCC-LBPRGKRZSA-N 0 3 358.398 2.266 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000293767403 552854493 /nfs/dbraw/zinc/85/44/93/552854493.db2.gz AMQIYBNIDUUKEK-DLBZAZTESA-N 0 3 358.398 2.011 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294171330 552887744 /nfs/dbraw/zinc/88/77/44/552887744.db2.gz SPWKHTYCJLSBCD-UHFFFAOYSA-N 0 3 356.386 2.015 20 5 FEBDHN COCC1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295424877 553004930 /nfs/dbraw/zinc/00/49/30/553004930.db2.gz OEYASSWUEARNOS-UHFFFAOYSA-N 0 3 356.444 2.163 20 5 FEBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295620658 553035174 /nfs/dbraw/zinc/03/51/74/553035174.db2.gz OJQZAAOJCYJGGF-LSDHHAIUSA-N 0 3 355.394 2.255 20 5 FEBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842727 553066867 /nfs/dbraw/zinc/06/68/67/553066867.db2.gz CZFWWDSMXLATPT-JKSUJKDBSA-N 0 3 363.414 2.479 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCN([C@@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000295980414 553084691 /nfs/dbraw/zinc/08/46/91/553084691.db2.gz JDHKNJIFAKXJKW-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146784 553111822 /nfs/dbraw/zinc/11/18/22/553111822.db2.gz JYOYDIXBCCTGBQ-JCURWCKSSA-N 0 3 363.414 2.335 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296921591 553229900 /nfs/dbraw/zinc/22/99/00/553229900.db2.gz MKOUCDVXZXPSKX-GFCCVEGCSA-N 0 3 368.409 2.217 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000297446398 553293148 /nfs/dbraw/zinc/29/31/48/553293148.db2.gz SCTXYKHOXAYOFW-CYBMUJFWSA-N 0 3 362.430 2.229 20 5 FEBDHN Cc1[nH]nc(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000299576133 553583807 /nfs/dbraw/zinc/58/38/07/553583807.db2.gz WSQZDPKCHAJTFC-UHFFFAOYSA-N 0 3 358.402 2.021 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(C3OCCO3)CC2)cccc1[N+](=O)[O-] ZINC000299661229 553598988 /nfs/dbraw/zinc/59/89/88/553598988.db2.gz QMDZLAQXTKQEGS-UHFFFAOYSA-N 0 3 363.414 2.317 20 5 FEBDHN CCN1CCC(N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301297849 553640287 /nfs/dbraw/zinc/64/02/87/553640287.db2.gz WKMISPZOZFAORS-UHFFFAOYSA-N 0 3 371.441 2.480 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000301309798 553641034 /nfs/dbraw/zinc/64/10/34/553641034.db2.gz YDNPKXLGLBTKCV-AWEZNQCLSA-N 0 3 355.398 2.165 20 5 FEBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000508440055 561762231 /nfs/dbraw/zinc/76/22/31/561762231.db2.gz FKPCJEQDCBDDBX-INIZCTEOSA-N 0 3 356.430 2.455 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000332013185 554363340 /nfs/dbraw/zinc/36/33/40/554363340.db2.gz PMRKIGYUJSSYSB-MFKMUULPSA-N 0 3 355.341 2.362 20 5 FEBDHN COc1cccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332199673 554400060 /nfs/dbraw/zinc/40/00/60/554400060.db2.gz QEDZPIRISCFAME-ZFWWWQNUSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332225122 554404287 /nfs/dbraw/zinc/40/42/87/554404287.db2.gz BOTOTGFWLHIZTD-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000360354307 554872262 /nfs/dbraw/zinc/87/22/62/554872262.db2.gz KQCKMSVMJVFSDY-UHFFFAOYSA-N 0 3 360.458 2.085 20 5 FEBDHN CCCN1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000360998881 554899779 /nfs/dbraw/zinc/89/97/79/554899779.db2.gz LTSLBKKICCCHFZ-UHFFFAOYSA-N 0 3 357.414 2.338 20 5 FEBDHN CCCN1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000363064420 555022419 /nfs/dbraw/zinc/02/24/19/555022419.db2.gz ZXIVMPXAUYHPJT-UHFFFAOYSA-N 0 3 351.403 2.170 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363187803 555048876 /nfs/dbraw/zinc/04/88/76/555048876.db2.gz SGEIEQLTJRUQHT-GFCCVEGCSA-N 0 3 363.414 2.359 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000363815388 555191669 /nfs/dbraw/zinc/19/16/69/555191669.db2.gz FNJWKYJDECMFCR-UHFFFAOYSA-N 0 3 360.458 2.085 20 5 FEBDHN CC(=O)c1ccc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000363919859 555213910 /nfs/dbraw/zinc/21/39/10/555213910.db2.gz KGJSGXIIAOGVTP-QGZVFWFLSA-N 0 3 360.458 2.402 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000364052386 555241152 /nfs/dbraw/zinc/24/11/52/555241152.db2.gz BTSAUKXLQVWKDA-LBPRGKRZSA-N 0 3 359.835 2.107 20 5 FEBDHN N[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364307333 555288612 /nfs/dbraw/zinc/28/86/12/555288612.db2.gz YOALAKZLPJDGDG-HZPDHXFCSA-N 0 3 373.384 2.456 20 5 FEBDHN N[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364307332 555288784 /nfs/dbraw/zinc/28/87/84/555288784.db2.gz YOALAKZLPJDGDG-HOTGVXAUSA-N 0 3 373.384 2.456 20 5 FEBDHN CSc1cccc(C(=O)N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000364517959 555328284 /nfs/dbraw/zinc/32/82/84/555328284.db2.gz IMGHFTXHWHDUOX-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc2O1 ZINC000364897942 555430041 /nfs/dbraw/zinc/43/00/41/555430041.db2.gz UZTAKGDWYZRRSL-ZDUSSCGKSA-N 0 3 356.382 2.146 20 5 FEBDHN CCOc1cc(CN2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000365179548 555503641 /nfs/dbraw/zinc/50/36/41/555503641.db2.gz JNBRQWNFNYWIOB-UHFFFAOYSA-N 0 3 351.447 2.272 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540004 555603297 /nfs/dbraw/zinc/60/32/97/555603297.db2.gz QIYLJPRKCHPRIH-ZTFGCOKTSA-N 0 3 361.442 2.143 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000365679492 555638865 /nfs/dbraw/zinc/63/88/65/555638865.db2.gz RAIUUGGUOGTVLS-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000513912624 561954210 /nfs/dbraw/zinc/95/42/10/561954210.db2.gz FVXVVGLDKRRRIK-INIZCTEOSA-N 0 3 371.441 2.359 20 5 FEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000366661377 555902442 /nfs/dbraw/zinc/90/24/42/555902442.db2.gz YXUMKKQAEPFUOF-IAGOWNOFSA-N 0 3 357.414 2.019 20 5 FEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000366663383 555902721 /nfs/dbraw/zinc/90/27/21/555902721.db2.gz PHUIIWWJKIJLJS-KRWDZBQOSA-N 0 3 357.414 2.019 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369062918 556493579 /nfs/dbraw/zinc/49/35/79/556493579.db2.gz IQAHNRGWVFTGFI-OAHLLOKOSA-N 0 3 374.441 2.222 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCC(F)(F)C(F)F)CC2)n1 ZINC000369681246 556666852 /nfs/dbraw/zinc/66/68/52/556666852.db2.gz JOWDJZSKJMCUMI-UHFFFAOYSA-N 0 3 354.304 2.345 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928982 556733431 /nfs/dbraw/zinc/73/34/31/556733431.db2.gz GBAQPGZPIWEXGJ-ZBFHGGJFSA-N 0 3 369.425 2.444 20 5 FEBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000370183441 556804594 /nfs/dbraw/zinc/80/45/94/556804594.db2.gz KYWLHCZIQSGDSL-MRXNPFEDSA-N 0 3 369.356 2.397 20 5 FEBDHN O=C(CCN1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370900961 557008091 /nfs/dbraw/zinc/00/80/91/557008091.db2.gz UVGRFAAGEQTKAF-OAHLLOKOSA-N 0 3 374.441 2.400 20 5 FEBDHN O=C(CCN1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370899913 557008486 /nfs/dbraw/zinc/00/84/86/557008486.db2.gz QITZNHHTBNUCOO-KRWDZBQOSA-N 0 3 374.441 2.400 20 5 FEBDHN Cc1ccc(CNCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000517551269 562092216 /nfs/dbraw/zinc/09/22/16/562092216.db2.gz BRGGLSUBLJXDQU-IBGZPJMESA-N 0 3 368.393 2.248 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000517730603 562096568 /nfs/dbraw/zinc/09/65/68/562096568.db2.gz QUSBOIKOWVRSGM-GJZGRUSLSA-N 0 3 363.462 2.426 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cccc(F)c3F)CC2)c1 ZINC000372153334 557394177 /nfs/dbraw/zinc/39/41/77/557394177.db2.gz UAAAFTUEZQXIJX-AWEZNQCLSA-N 0 3 366.368 2.310 20 5 FEBDHN COCCCN1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000372288745 557430643 /nfs/dbraw/zinc/43/06/43/557430643.db2.gz UDLKIEFHQDFODB-UHFFFAOYSA-N 0 3 374.441 2.189 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n1 ZINC000372497308 557485881 /nfs/dbraw/zinc/48/58/81/557485881.db2.gz PQNQXHUOYGJRAX-GOSISDBHSA-N 0 3 357.414 2.113 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000519488791 562132585 /nfs/dbraw/zinc/13/25/85/562132585.db2.gz QOODRURQNHCUKW-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CC(=O)N1CC[C@H](NCCn2cc([N+](=O)[O-])cn2)c2ccc(F)cc2C1 ZINC000372797957 557564241 /nfs/dbraw/zinc/56/42/41/557564241.db2.gz CYLGJBYHLXESPI-KRWDZBQOSA-N 0 3 361.377 2.014 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000373986805 557801525 /nfs/dbraw/zinc/80/15/25/557801525.db2.gz UBYAPPURBJDXEL-UHFFFAOYSA-N 0 3 371.434 2.230 20 5 FEBDHN CC(C)c1ccc(CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000375529095 558043794 /nfs/dbraw/zinc/04/37/94/558043794.db2.gz YMHQBPKTRPOYNJ-SJORKVTESA-N 0 3 371.441 2.153 20 5 FEBDHN COc1ccccc1N1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375673715 558065654 /nfs/dbraw/zinc/06/56/54/558065654.db2.gz QUZHNCMDKDHSCG-HNNXBMFYSA-N 0 3 359.430 2.401 20 5 FEBDHN O=C(CCN1CC[C@@H](Oc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376557643 558190331 /nfs/dbraw/zinc/19/03/31/558190331.db2.gz KOYITJCUGNGRNQ-QGZVFWFLSA-N 0 3 356.382 2.472 20 5 FEBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H](C)C1 ZINC000521845362 562184749 /nfs/dbraw/zinc/18/47/49/562184749.db2.gz OAQHGEYTMLERQO-ZIAGYGMSSA-N 0 3 372.429 2.026 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000522884229 562205492 /nfs/dbraw/zinc/20/54/92/562205492.db2.gz JTIRUEZPXIUGOP-MRXNPFEDSA-N 0 3 371.441 2.439 20 5 FEBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000523748250 562218967 /nfs/dbraw/zinc/21/89/67/562218967.db2.gz XNCVTQLHAGEKSZ-UHFFFAOYSA-N 0 3 357.432 2.002 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000524872544 562236423 /nfs/dbraw/zinc/23/64/23/562236423.db2.gz NOTFPRMCYJNFNF-OLZOCXBDSA-N 0 3 371.459 2.097 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000525056197 562239881 /nfs/dbraw/zinc/23/98/81/562239881.db2.gz ZRAWVBAVGPVOOZ-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105928 562240590 /nfs/dbraw/zinc/24/05/90/562240590.db2.gz BYPVXSXDDJIIMZ-ZJUUUORDSA-N 0 3 373.356 2.417 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411132423 558842631 /nfs/dbraw/zinc/84/26/31/558842631.db2.gz JYXAQRUYBPOTKD-KBPBESRZSA-N 0 3 362.430 2.221 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2COCC[C@@H]21 ZINC000411313137 558874668 /nfs/dbraw/zinc/87/46/68/558874668.db2.gz AADRBEYRJVFPAT-BBRMVZONSA-N 0 3 363.414 2.433 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CCCCN2C2CC2)c1F ZINC000412289091 559025259 /nfs/dbraw/zinc/02/52/59/559025259.db2.gz GWJFJYUYIQUACR-ZDUSSCGKSA-N 0 3 365.405 2.418 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1F ZINC000412361311 559030791 /nfs/dbraw/zinc/03/07/91/559030791.db2.gz KWFKZFUUFDQVFL-GOSISDBHSA-N 0 3 365.405 2.229 20 5 FEBDHN CNCc1ccccc1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415902419 559281920 /nfs/dbraw/zinc/28/19/20/559281920.db2.gz OYMITZZDTMCQDO-UHFFFAOYSA-N 0 3 370.413 2.063 20 5 FEBDHN CCOCCOC[C@@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319371 559357292 /nfs/dbraw/zinc/35/72/92/559357292.db2.gz BYSRZNQGWSJHAJ-WMZOPIPTSA-N 0 3 352.431 2.366 20 5 FEBDHN O=C(NCCCNCc1cccnc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418326299 559397561 /nfs/dbraw/zinc/39/75/61/559397561.db2.gz KEIFAWOIICTVMH-UHFFFAOYSA-N 0 3 369.425 2.237 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419281373 559435179 /nfs/dbraw/zinc/43/51/79/559435179.db2.gz BDPLUGSXPQPCSC-HOCLYGCPSA-N 0 3 366.368 2.138 20 5 FEBDHN Cc1ncccc1OC[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000419389524 559440453 /nfs/dbraw/zinc/44/04/53/559440453.db2.gz LDZPWUWNHFOQQT-MRXNPFEDSA-N 0 3 358.398 2.003 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000421796425 559553940 /nfs/dbraw/zinc/55/39/40/559553940.db2.gz OITLGLSLYGNTLB-WMZOPIPTSA-N 0 3 374.485 2.310 20 5 FEBDHN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCNCC1 ZINC000422720394 559604284 /nfs/dbraw/zinc/60/42/84/559604284.db2.gz ZJKBQPBCRCYQJK-UHFFFAOYSA-N 0 3 357.360 2.395 20 5 FEBDHN N[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000422941924 559612363 /nfs/dbraw/zinc/61/23/63/559612363.db2.gz WAWAIYUSYJZZDM-CYBMUJFWSA-N 0 3 360.336 2.269 20 5 FEBDHN N[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424012528 559650953 /nfs/dbraw/zinc/65/09/53/559650953.db2.gz PJQHJFAUFLNKSL-JKSUJKDBSA-N 0 3 373.384 2.456 20 5 FEBDHN CCOc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000425051894 559685378 /nfs/dbraw/zinc/68/53/78/559685378.db2.gz UKOVRPQJFIVSQP-SWLSCSKDSA-N 0 3 363.414 2.168 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](c4nnc[n-]4)C3)o2)c1 ZINC000425542362 559708727 /nfs/dbraw/zinc/70/87/27/559708727.db2.gz HHXNUKXLKDPJPY-CYBMUJFWSA-N 0 3 354.370 2.400 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](c4nnc[n-]4)C3)o2)c1 ZINC000425542362 559708728 /nfs/dbraw/zinc/70/87/28/559708728.db2.gz HHXNUKXLKDPJPY-CYBMUJFWSA-N 0 3 354.370 2.400 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(O)(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000426468964 559735261 /nfs/dbraw/zinc/73/52/61/559735261.db2.gz LAMDXKUJQKZEMS-UHFFFAOYSA-N 0 3 357.357 2.324 20 5 FEBDHN CC(=O)c1cc(NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431488824 559840091 /nfs/dbraw/zinc/84/00/91/559840091.db2.gz XCJCMIIVXMXUQI-UHFFFAOYSA-N 0 3 362.430 2.202 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3CCN[C@@H](C)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711016 559907020 /nfs/dbraw/zinc/90/70/20/559907020.db2.gz LBRJODUFTYQVDQ-JSGCOSHPSA-N 0 3 371.441 2.279 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2c[nH]cn2)CC1 ZINC000434983834 559913735 /nfs/dbraw/zinc/91/37/35/559913735.db2.gz UKFWPRKTHYGCHW-UHFFFAOYSA-N 0 3 371.397 2.496 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000440511748 560013168 /nfs/dbraw/zinc/01/31/68/560013168.db2.gz ZMOQIUCDPHMVJO-LJQANCHMSA-N 0 3 373.384 2.101 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000440516866 560013414 /nfs/dbraw/zinc/01/34/14/560013414.db2.gz RTNXSHVHXMDKIE-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000441277636 560027684 /nfs/dbraw/zinc/02/76/84/560027684.db2.gz NFHQUTCFCMZTPH-PJODQICGSA-N 0 3 351.403 2.478 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446051461 560138692 /nfs/dbraw/zinc/13/86/92/560138692.db2.gz IXSMSNUBPDTMRJ-CYBMUJFWSA-N 0 3 368.865 2.312 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899220 560153211 /nfs/dbraw/zinc/15/32/11/560153211.db2.gz HJENYEOYDCVZIB-UHFFFAOYSA-N 0 3 362.434 2.200 20 5 FEBDHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450022134 560248203 /nfs/dbraw/zinc/24/82/03/560248203.db2.gz KCRUDKMOJXOWLN-HNNXBMFYSA-N 0 3 357.414 2.337 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1C ZINC000451381124 560303487 /nfs/dbraw/zinc/30/34/87/560303487.db2.gz YZCOOIIDJLMRRO-KRWDZBQOSA-N 0 3 357.414 2.397 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@](O)(C(F)F)C3)o2)c1 ZINC000451433782 560306857 /nfs/dbraw/zinc/30/68/57/560306857.db2.gz PFXDWTXONNJHJJ-INIZCTEOSA-N 0 3 353.325 2.494 20 5 FEBDHN CCO[C@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484798 560309787 /nfs/dbraw/zinc/30/97/87/560309787.db2.gz XSUAELLIGKTBTB-IRXDYDNUSA-N 0 3 359.426 2.421 20 5 FEBDHN CS(=O)(=O)N1CC[C@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549677 560314181 /nfs/dbraw/zinc/31/41/81/560314181.db2.gz QBTIQQSGQLOMRH-ZBFHGGJFSA-N 0 3 367.471 2.056 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451593917 560316544 /nfs/dbraw/zinc/31/65/44/560316544.db2.gz IUZPIZLYCQFICM-KDOFPFPSSA-N 0 3 367.446 2.421 20 5 FEBDHN O=C(CCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882285 560334274 /nfs/dbraw/zinc/33/42/74/560334274.db2.gz CMUPSPDAHFIIGL-QMTHXVAHSA-N 0 3 361.320 2.169 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000455030520 560467965 /nfs/dbraw/zinc/46/79/65/560467965.db2.gz DFLKCQWOWKMXBZ-OAHLLOKOSA-N 0 3 369.425 2.398 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000455653136 560490653 /nfs/dbraw/zinc/49/06/53/560490653.db2.gz DLKSFKVTZDKUKU-UHFFFAOYSA-N 0 3 360.418 2.410 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000457062435 560546273 /nfs/dbraw/zinc/54/62/73/560546273.db2.gz VCJPGDRNSOUFEI-UHFFFAOYSA-N 0 3 367.471 2.283 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457117760 560550490 /nfs/dbraw/zinc/55/04/90/560550490.db2.gz MLGFSCTWAVBROZ-GFCCVEGCSA-N 0 3 351.403 2.167 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)n1 ZINC000458222070 560609751 /nfs/dbraw/zinc/60/97/51/560609751.db2.gz VEYKUCDWYDGSJN-UHFFFAOYSA-N 0 3 361.402 2.312 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1F ZINC000458329278 560615151 /nfs/dbraw/zinc/61/51/51/560615151.db2.gz XAWQWGSUVNINKH-UHFFFAOYSA-N 0 3 350.350 2.265 20 5 FEBDHN CC[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514620 560628677 /nfs/dbraw/zinc/62/86/77/560628677.db2.gz RDSLLUHZOHEBQD-DLBZAZTESA-N 0 3 364.446 2.192 20 5 FEBDHN COCCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)C1CCN(C)CC1 ZINC000464721772 560849086 /nfs/dbraw/zinc/84/90/86/560849086.db2.gz ZNEWCZKZXBLPJS-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724299 560915965 /nfs/dbraw/zinc/91/59/65/560915965.db2.gz RWHCHRDSYYAAOE-YOEHRIQHSA-N 0 3 372.469 2.410 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470124848 560974834 /nfs/dbraw/zinc/97/48/34/560974834.db2.gz JPPOUFLBAIZZLL-UHFFFAOYSA-N 0 3 367.425 2.272 20 5 FEBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471525688 561006433 /nfs/dbraw/zinc/00/64/33/561006433.db2.gz AHRQZZGISBKWAH-VIFPVBQESA-N 0 3 354.823 2.338 20 5 FEBDHN C[C@H](CN1CCCCCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472732952 561034065 /nfs/dbraw/zinc/03/40/65/561034065.db2.gz UKDSAYUJOIPCOW-GFCCVEGCSA-N 0 3 366.393 2.053 20 5 FEBDHN CN(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000473908965 561060480 /nfs/dbraw/zinc/06/04/80/561060480.db2.gz HPFKHBNWGFIZPI-INIZCTEOSA-N 0 3 355.460 2.384 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000474352867 561071790 /nfs/dbraw/zinc/07/17/90/561071790.db2.gz IPZRJEDHJZQMTF-UKRRQHHQSA-N 0 3 352.387 2.194 20 5 FEBDHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000475046558 561088744 /nfs/dbraw/zinc/08/87/44/561088744.db2.gz DVODVBGOVNQGGT-HOCLYGCPSA-N 0 3 365.384 2.170 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475097278 561090380 /nfs/dbraw/zinc/09/03/80/561090380.db2.gz YUKSSYMNGBJKGQ-GOEBONIOSA-N 0 3 366.414 2.130 20 5 FEBDHN COc1c(C(=O)N(CCN(C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000475758323 561104479 /nfs/dbraw/zinc/10/44/79/561104479.db2.gz LPPXWNVGGRGELK-UHFFFAOYSA-N 0 3 358.398 2.202 20 5 FEBDHN CCNc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000534491976 562535074 /nfs/dbraw/zinc/53/50/74/562535074.db2.gz CTDUETQUMZLTDO-UHFFFAOYSA-N 0 3 373.413 2.002 20 5 FEBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000536536694 562578162 /nfs/dbraw/zinc/57/81/62/562578162.db2.gz LAXZDGYJVQAOEU-LLVKDONJSA-N 0 3 371.426 2.232 20 5 FEBDHN CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000536805918 562580738 /nfs/dbraw/zinc/58/07/38/562580738.db2.gz JSGCOTIIXMWFHM-INIZCTEOSA-N 0 3 371.441 2.141 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CCCO)CC1 ZINC000541129581 562603968 /nfs/dbraw/zinc/60/39/68/562603968.db2.gz JUDIQPXQLCXKMT-UHFFFAOYSA-N 0 3 363.414 2.377 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCN(C)C2CCCC2)c1 ZINC000541821383 562620625 /nfs/dbraw/zinc/62/06/25/562620625.db2.gz YTGDJEFTCVGRNI-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000541975388 562624845 /nfs/dbraw/zinc/62/48/45/562624845.db2.gz NKPPOKOVOAIIPB-SFHVURJKSA-N 0 3 373.384 2.231 20 5 FEBDHN Cc1cccc(CN2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601850573 567860181 /nfs/dbraw/zinc/86/01/81/567860181.db2.gz PXNDUWOXSRTARS-INIZCTEOSA-N 0 3 371.441 2.226 20 5 FEBDHN Cc1cc(C(=O)NCc2ccncc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000568338321 568026281 /nfs/dbraw/zinc/02/62/81/568026281.db2.gz BQOWNIRPKYUFFN-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN CC[NH+](CC)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821189427 607302213 /nfs/dbraw/zinc/30/22/13/607302213.db2.gz LYMMSOKYGQHQII-UHFFFAOYSA-N 0 3 356.390 2.077 20 5 FEBDHN CC[NH+](CC)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821189427 607302214 /nfs/dbraw/zinc/30/22/14/607302214.db2.gz LYMMSOKYGQHQII-UHFFFAOYSA-N 0 3 356.390 2.077 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000561733959 674694500 /nfs/dbraw/zinc/69/45/00/674694500.db2.gz KVHCTOIWDPBLGJ-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN CC(COC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813103908 674719587 /nfs/dbraw/zinc/71/95/87/674719587.db2.gz IAHXGZKOTXABEA-ZETCQYMHSA-N 0 3 362.239 2.247 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813101991 674719076 /nfs/dbraw/zinc/71/90/76/674719076.db2.gz MJYBVAYVVBBBKM-HIFRSBDPSA-N 0 3 350.371 2.244 20 5 FEBDHN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105662 674719900 /nfs/dbraw/zinc/71/99/00/674719900.db2.gz RIZXHEWZMMBLOO-GWCFXTLKSA-N 0 3 374.846 2.400 20 5 FEBDHN CC(COC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813110211 674721071 /nfs/dbraw/zinc/72/10/71/674721071.db2.gz UUCDJHFGWCVELH-CXAGYDPISA-N 0 3 350.371 2.244 20 5 FEBDHN CC(COC(=O)c1cnn(-c2ccc(Br)cc2)c1)[N+](=O)[O-] ZINC000813113619 674721075 /nfs/dbraw/zinc/72/10/75/674721075.db2.gz RUKMTTZCRDNLNS-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000032663166 670130846 /nfs/dbraw/zinc/13/08/46/670130846.db2.gz SFMYMBHOCBCZAF-LLVKDONJSA-N 0 3 350.375 2.416 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047147848 670235006 /nfs/dbraw/zinc/23/50/06/670235006.db2.gz NKGPHDPLRYPRTG-LLVKDONJSA-N 0 3 350.375 2.273 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000068117097 670466515 /nfs/dbraw/zinc/46/65/15/670466515.db2.gz RNUBGSFDYLERHT-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000112916077 670878737 /nfs/dbraw/zinc/87/87/37/670878737.db2.gz CZLICQHHWKZHIZ-UHFFFAOYSA-N 0 3 350.375 2.449 20 5 FEBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000575429999 671313067 /nfs/dbraw/zinc/31/30/67/671313067.db2.gz KTITWJLEJHTTGU-CYBMUJFWSA-N 0 3 352.410 2.101 20 5 FEBDHN Cc1nn(CCC(=O)N(CCN(C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000608839552 675905295 /nfs/dbraw/zinc/90/52/95/675905295.db2.gz HODLHGGLVHOHEB-UHFFFAOYSA-N 0 3 351.451 2.131 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000579704160 671754543 /nfs/dbraw/zinc/75/45/43/671754543.db2.gz WXVQWHAESLWDGS-OAHLLOKOSA-N 0 3 369.487 2.079 20 5 FEBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000579756108 671758389 /nfs/dbraw/zinc/75/83/89/671758389.db2.gz IPMDWSMAZRVSMC-CYBMUJFWSA-N 0 3 350.346 2.272 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000610542495 675978952 /nfs/dbraw/zinc/97/89/52/675978952.db2.gz ZYWIVHAAEBOVFC-OKILXGFUSA-N 0 3 351.451 2.044 20 5 FEBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205224 676024826 /nfs/dbraw/zinc/02/48/26/676024826.db2.gz OPSSESXCCBBKRK-CHWSQXEVSA-N 0 3 351.403 2.289 20 5 FEBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045376 672556066 /nfs/dbraw/zinc/55/60/66/672556066.db2.gz QEHKSHNBZMFHDX-QMTHXVAHSA-N 0 3 368.231 2.442 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCC2)c(F)cc1[N+](=O)[O-] ZINC000590589458 672593245 /nfs/dbraw/zinc/59/32/45/672593245.db2.gz WJRAWJAAGQIQIL-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591736059 672706712 /nfs/dbraw/zinc/70/67/12/672706712.db2.gz HQNZUZHSGZJBGT-GJZGRUSLSA-N 0 3 369.487 2.221 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000195232804 672779747 /nfs/dbraw/zinc/77/97/47/672779747.db2.gz QGILHZLVPWSXLS-UHFFFAOYSA-N 0 3 367.471 2.310 20 5 FEBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529478 672934942 /nfs/dbraw/zinc/93/49/42/672934942.db2.gz BRWXRNFMHXJOOY-ZIAGYGMSSA-N 0 3 370.475 2.026 20 5 FEBDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593541334 672937983 /nfs/dbraw/zinc/93/79/83/672937983.db2.gz LQLDMXWXZSMMEO-CYBMUJFWSA-N 0 3 370.475 2.169 20 5 FEBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594039561 673024574 /nfs/dbraw/zinc/02/45/74/673024574.db2.gz AFJSPNAMYFLNRY-CVEARBPZSA-N 0 3 356.444 2.306 20 5 FEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594039566 673024926 /nfs/dbraw/zinc/02/49/26/673024926.db2.gz AFJSPNAMYFLNRY-JKSUJKDBSA-N 0 3 356.444 2.306 20 5 FEBDHN COCC1(C2CCC2)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594716210 673121818 /nfs/dbraw/zinc/12/18/18/673121818.db2.gz MBHYAKBDDHZLLY-INIZCTEOSA-N 0 3 350.415 2.083 20 5 FEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594747990 673127917 /nfs/dbraw/zinc/12/79/17/673127917.db2.gz HKMBYKQZJMBMDG-GFCCVEGCSA-N 0 3 366.443 2.152 20 5 FEBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000595120157 673197218 /nfs/dbraw/zinc/19/72/18/673197218.db2.gz OPCDYWAOUAKYDU-UHFFFAOYSA-N 0 3 367.349 2.163 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000462573057 673264159 /nfs/dbraw/zinc/26/41/59/673264159.db2.gz HKRZTJCUFAYADL-OAHLLOKOSA-N 0 3 367.471 2.446 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462706198 673277212 /nfs/dbraw/zinc/27/72/12/673277212.db2.gz RRRSLSVJZYRUMC-GFCCVEGCSA-N 0 3 359.423 2.229 20 5 FEBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693055 673499707 /nfs/dbraw/zinc/49/97/07/673499707.db2.gz ADLSFRBSWQXUGP-CVEARBPZSA-N 0 3 365.455 2.009 20 5 FEBDHN C[C@@H]1OCC[C@]1(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638920 673909135 /nfs/dbraw/zinc/90/91/35/673909135.db2.gz HMJRUFPFBJKXFR-CPCISQLKSA-N 0 3 351.222 2.048 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825450048 675653580 /nfs/dbraw/zinc/65/35/80/675653580.db2.gz NUWOCCCMTWEYKK-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN CC(COC(=O)c1ncc(Br)cc1Br)[N+](=O)[O-] ZINC000838964296 680729504 /nfs/dbraw/zinc/72/95/04/680729504.db2.gz HCRLVNDILGUOBE-YFKPBYRVSA-N 0 3 367.981 2.429 20 5 FEBDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000752071838 680221958 /nfs/dbraw/zinc/22/19/58/680221958.db2.gz ZDJUJBLGONDEAY-CHWSQXEVSA-N 0 3 353.423 2.026 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000836090272 680419715 /nfs/dbraw/zinc/41/97/15/680419715.db2.gz XGZKBAWPHYHPGP-LBPRGKRZSA-N 0 3 368.821 2.128 20 5 FEBDHN Cc1ccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001002787394 680508363 /nfs/dbraw/zinc/50/83/63/680508363.db2.gz JMJDTJRRKHEWLM-GDBMZVCRSA-N 0 3 351.834 2.394 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1Cl ZINC000836788146 680514267 /nfs/dbraw/zinc/51/42/67/680514267.db2.gz OPSXRIYPPAVDQV-UHFFFAOYSA-N 0 3 368.865 2.312 20 5 FEBDHN CC(COC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000842802025 680967944 /nfs/dbraw/zinc/96/79/44/680967944.db2.gz QEOYUDCPOGQMEL-VIFPVBQESA-N 0 3 351.309 2.461 20 5 FEBDHN CC([C@H](OC(=O)COCc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884395 681159544 /nfs/dbraw/zinc/15/95/44/681159544.db2.gz YVOWFLGGCOZJPR-ZBEGNZNMSA-N 0 3 351.334 2.026 20 5 FEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352523 681528032 /nfs/dbraw/zinc/52/80/32/681528032.db2.gz QHSYCRUUUQBSHO-WCQYABFASA-N 0 3 361.427 2.346 20 5 FEBDHN NCc1cn([C@H]2CCCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)nn1 ZINC000853015815 682364145 /nfs/dbraw/zinc/36/41/45/682364145.db2.gz GCCJFDUFJGUGFD-JTQLQIEISA-N 0 3 354.773 2.279 20 5 FEBDHN C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000921365740 683442582 /nfs/dbraw/zinc/44/25/82/683442582.db2.gz SWKSTLSENHZCAS-CJNGLKHVSA-N 0 3 353.444 2.061 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000929832716 683644510 /nfs/dbraw/zinc/64/45/10/683644510.db2.gz DZBSSPGTYLUKGR-JOYOIKCWSA-N 0 3 356.329 2.364 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925237362 684543454 /nfs/dbraw/zinc/54/34/54/684543454.db2.gz JMZGXWQQBDRVLE-CYBMUJFWSA-N 0 3 350.419 2.066 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(OCCO)CCOC1 ZINC000872085890 684918605 /nfs/dbraw/zinc/91/86/05/684918605.db2.gz RSUYUULCOBNHKB-LRDDRELGSA-N 0 3 356.444 2.135 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154485 686531177 /nfs/dbraw/zinc/53/11/77/686531177.db2.gz VRDAGGHERXACLX-ZDUSSCGKSA-N 0 3 353.423 2.041 20 5 FEBDHN C[C@](CO)(NC[C@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273605 686784738 /nfs/dbraw/zinc/78/47/38/686784738.db2.gz WRBQXNVPFZLSCS-IAGOWNOFSA-N 0 3 350.415 2.120 20 5 FEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135211 689302055 /nfs/dbraw/zinc/30/20/55/689302055.db2.gz NQBDDTISBBFVAB-BLLLJJGKSA-N 0 3 354.428 2.453 20 5 FEBDHN C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000908503990 691690747 /nfs/dbraw/zinc/69/07/47/691690747.db2.gz RTXXSDKDDHRMOL-SNVBAGLBSA-N 0 3 352.822 2.387 20 5 FEBDHN CCN1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910295115 691912979 /nfs/dbraw/zinc/91/29/79/691912979.db2.gz VBXONQGDBYGFET-GFCCVEGCSA-N 0 3 351.403 2.168 20 5 FEBDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164905978 721562421 /nfs/dbraw/zinc/56/24/21/721562421.db2.gz IHQXKDWKIAGPRW-ZBFHGGJFSA-N 0 3 373.388 2.174 20 5 FEBDHN CN(C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027581183 539810948 /nfs/dbraw/zinc/81/09/48/539810948.db2.gz NBDSRVVDDOAZFZ-QGZVFWFLSA-N 0 3 357.410 2.263 20 5 FEBDHN CCCNC(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000042687059 540073819 /nfs/dbraw/zinc/07/38/19/540073819.db2.gz YJDGBEHPFQCQHS-UHFFFAOYSA-N 0 3 362.430 2.162 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000045279556 540208687 /nfs/dbraw/zinc/20/86/87/540208687.db2.gz DSRHHELHIAGDCO-OAHLLOKOSA-N 0 3 367.409 2.374 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046878848 540275052 /nfs/dbraw/zinc/27/50/52/540275052.db2.gz UQAKYURZJDPGER-CYBMUJFWSA-N 0 3 365.430 2.464 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NCCC(C)C)cccc1[N+](=O)[O-] ZINC000048717160 540371269 /nfs/dbraw/zinc/37/12/69/540371269.db2.gz TVLBBKOWFSMZNH-CYBMUJFWSA-N 0 3 356.444 2.369 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC[C@H]1C ZINC000066307297 541299812 /nfs/dbraw/zinc/29/98/12/541299812.db2.gz PUBPGLMJKCZJSZ-OLZOCXBDSA-N 0 3 363.414 2.359 20 5 FEBDHN CCCN1CCC(N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067269572 541438528 /nfs/dbraw/zinc/43/85/28/541438528.db2.gz JYURSRQZTBIWAC-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067206558 541433049 /nfs/dbraw/zinc/43/30/49/541433049.db2.gz ALGIFJVPLJFLJF-HNNXBMFYSA-N 0 3 357.414 2.009 20 5 FEBDHN COc1cccc(OC)c1OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000067976872 541535212 /nfs/dbraw/zinc/53/52/12/541535212.db2.gz CVCKUELQDCEKLC-OAHLLOKOSA-N 0 3 362.382 2.142 20 5 FEBDHN CCCc1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000068310187 541574999 /nfs/dbraw/zinc/57/49/99/541574999.db2.gz UCYKLTBYBHFHJS-CQSZACIVSA-N 0 3 359.430 2.173 20 5 FEBDHN Cn1cc(CNCCOC[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068993160 541646787 /nfs/dbraw/zinc/64/67/87/541646787.db2.gz SBFZOUNCYYJONO-CQSZACIVSA-N 0 3 360.414 2.138 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000071898731 541775033 /nfs/dbraw/zinc/77/50/33/541775033.db2.gz UHJZIMYMRCOIJT-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN COC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092643656 542876680 /nfs/dbraw/zinc/87/66/80/542876680.db2.gz FTULDKOZCHAURB-AWEZNQCLSA-N 0 3 358.398 2.380 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000104733272 543140293 /nfs/dbraw/zinc/14/02/93/543140293.db2.gz SEGKNEZYTJSKGV-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123957548 543793528 /nfs/dbraw/zinc/79/35/28/543793528.db2.gz FMLBXBKUQLXJSQ-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)NCCN(C)C ZINC000129494062 544115854 /nfs/dbraw/zinc/11/58/54/544115854.db2.gz ACBBCRSLCQNUAI-ZDUSSCGKSA-N 0 3 357.842 2.148 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131457846 544191056 /nfs/dbraw/zinc/19/10/56/544191056.db2.gz FVOPTILTMJOWLU-HNNXBMFYSA-N 0 3 366.849 2.162 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000154109927 544864654 /nfs/dbraw/zinc/86/46/54/544864654.db2.gz SKPUNDGLPANRLN-CYBMUJFWSA-N 0 3 367.471 2.405 20 5 FEBDHN CN(C)C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000155262483 545006434 /nfs/dbraw/zinc/00/64/34/545006434.db2.gz MDFCQDFALPLNTQ-INIZCTEOSA-N 0 3 360.414 2.055 20 5 FEBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000179525983 327648017 /nfs/dbraw/zinc/64/80/17/327648017.db2.gz WODLEXGGUMHMTD-INIZCTEOSA-N 0 3 367.471 2.027 20 5 FEBDHN CCN(CC)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929434 327753278 /nfs/dbraw/zinc/75/32/78/327753278.db2.gz RXUIJWCXOHVXAP-OAHLLOKOSA-N 0 3 369.487 2.032 20 5 FEBDHN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007849 327756649 /nfs/dbraw/zinc/75/66/49/327756649.db2.gz LVJZGGLSTAEOEJ-IUODEOHRSA-N 0 3 362.430 2.336 20 5 FEBDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000182677883 327784341 /nfs/dbraw/zinc/78/43/41/327784341.db2.gz YFWWQNWUMWENTL-GFCCVEGCSA-N 0 3 370.837 2.279 20 5 FEBDHN CCOC(=O)C[C@](C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000186721097 327978311 /nfs/dbraw/zinc/97/83/11/327978311.db2.gz SIDBCQLQDURTHU-KRWDZBQOSA-N 0 3 351.403 2.151 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC1(N(C)C)CCC1 ZINC000187001575 327996262 /nfs/dbraw/zinc/99/62/62/327996262.db2.gz SRZPTXAXDDKJPT-ZDUSSCGKSA-N 0 3 364.446 2.347 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000188255776 328076153 /nfs/dbraw/zinc/07/61/53/328076153.db2.gz MLTOSXAOVNNEBP-UHFFFAOYSA-N 0 3 355.460 2.232 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000189110854 328129205 /nfs/dbraw/zinc/12/92/05/328129205.db2.gz ZXBIBNGBWKCEQD-MRXNPFEDSA-N 0 3 357.476 2.381 20 5 FEBDHN CN(C)C1(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000189129435 328130099 /nfs/dbraw/zinc/13/00/99/328130099.db2.gz MZYBDEMCJJZFMD-UHFFFAOYSA-N 0 3 361.851 2.353 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000191645759 328275585 /nfs/dbraw/zinc/27/55/85/328275585.db2.gz XYXFPRVUGDRXFS-INIZCTEOSA-N 0 3 371.441 2.405 20 5 FEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191829759 328283835 /nfs/dbraw/zinc/28/38/35/328283835.db2.gz UUWLIFXJTDZYNH-UKRRQHHQSA-N 0 3 363.414 2.363 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000192519150 328323396 /nfs/dbraw/zinc/32/33/96/328323396.db2.gz SRLZYMLADOHNGT-UHFFFAOYSA-N 0 3 359.430 2.393 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000192519150 328323398 /nfs/dbraw/zinc/32/33/98/328323398.db2.gz SRLZYMLADOHNGT-UHFFFAOYSA-N 0 3 359.430 2.393 20 5 FEBDHN O=C1NC(=O)[C@]2(CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)N1 ZINC000193475928 328377773 /nfs/dbraw/zinc/37/77/73/328377773.db2.gz OHGNSRUCJMLXFQ-GOSISDBHSA-N 0 3 370.365 2.029 20 5 FEBDHN COCCCN(C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080152456 325120254 /nfs/dbraw/zinc/12/02/54/325120254.db2.gz LIJRDFYRJWWVFK-UHFFFAOYSA-N 0 3 352.435 2.097 20 5 FEBDHN Cn1cc(C(=O)NCC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000104092294 325532228 /nfs/dbraw/zinc/53/22/28/325532228.db2.gz SPIRLIJYIBWODE-UHFFFAOYSA-N 0 3 371.441 2.013 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(N2CCCC2=O)CC1 ZINC000104730427 325544094 /nfs/dbraw/zinc/54/40/94/325544094.db2.gz IELCOZPHUYQJIL-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN CN(C)C(=O)COc1ccccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000105448072 325567402 /nfs/dbraw/zinc/56/74/02/325567402.db2.gz BMUHDEBGTQEHPD-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000107389661 325627174 /nfs/dbraw/zinc/62/71/74/325627174.db2.gz FUWQOJHFFYOSRJ-UHFFFAOYSA-N 0 3 371.441 2.306 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000116922585 326042258 /nfs/dbraw/zinc/04/22/58/326042258.db2.gz LVVZIJNPXKELIS-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN CCN1CCN([C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118998920 326116960 /nfs/dbraw/zinc/11/69/60/326116960.db2.gz VPRYIPKTLMXFLJ-CQSZACIVSA-N 0 3 352.866 2.460 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C2CCCC2)c1C ZINC000120385562 326254169 /nfs/dbraw/zinc/25/41/69/326254169.db2.gz DKGYPTKQARNZBE-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1c(CC(=O)NCc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000124331511 326451912 /nfs/dbraw/zinc/45/19/12/326451912.db2.gz OTELYPMVFSNLJS-UHFFFAOYSA-N 0 3 372.425 2.098 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000124728989 326459084 /nfs/dbraw/zinc/45/90/84/326459084.db2.gz HBYVQWUDUHGCFU-CYBMUJFWSA-N 0 3 373.500 2.461 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000126775455 326495011 /nfs/dbraw/zinc/49/50/11/326495011.db2.gz YYHKCNZTCZFBAS-INIZCTEOSA-N 0 3 373.409 2.457 20 5 FEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000151979388 326696202 /nfs/dbraw/zinc/69/62/02/326696202.db2.gz JYOGTDBGNYTJFE-KBPBESRZSA-N 0 3 364.446 2.256 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160218472 326957558 /nfs/dbraw/zinc/95/75/58/326957558.db2.gz ISJMHUJCFFQIJO-ZFWWWQNUSA-N 0 3 367.471 2.038 20 5 FEBDHN Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000173272580 327245506 /nfs/dbraw/zinc/24/55/06/327245506.db2.gz QCDWLSLJCZGTEW-QGZVFWFLSA-N 0 3 360.458 2.145 20 5 FEBDHN C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105452 327306626 /nfs/dbraw/zinc/30/66/26/327306626.db2.gz NESXSZRSCOPVPC-WMLDXEAASA-N 0 3 364.446 2.408 20 5 FEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000174639084 327340598 /nfs/dbraw/zinc/34/05/98/327340598.db2.gz KFTGNDNJRXLFRU-WMLDXEAASA-N 0 3 355.398 2.089 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1c1nccn1C ZINC000261663085 328809790 /nfs/dbraw/zinc/80/97/90/328809790.db2.gz BCLDUJAFCMASFI-MRXNPFEDSA-N 0 3 359.430 2.262 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000262466105 328867572 /nfs/dbraw/zinc/86/75/72/328867572.db2.gz XTACTMVYLMVPCP-HNNXBMFYSA-N 0 3 371.393 2.229 20 5 FEBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000264231689 329002786 /nfs/dbraw/zinc/00/27/86/329002786.db2.gz JVHFAIUSFOLWIO-UHFFFAOYSA-N 0 3 367.356 2.109 20 5 FEBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000264231689 329002788 /nfs/dbraw/zinc/00/27/88/329002788.db2.gz JVHFAIUSFOLWIO-UHFFFAOYSA-N 0 3 367.356 2.109 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264572724 329036843 /nfs/dbraw/zinc/03/68/43/329036843.db2.gz VSCIUEUIMQBMQO-HNNXBMFYSA-N 0 3 372.429 2.148 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264572724 329036845 /nfs/dbraw/zinc/03/68/45/329036845.db2.gz VSCIUEUIMQBMQO-HNNXBMFYSA-N 0 3 372.429 2.148 20 5 FEBDHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875059 329069912 /nfs/dbraw/zinc/06/99/12/329069912.db2.gz PPSPXIYMBCGXAB-QWRGUYRKSA-N 0 3 351.794 2.450 20 5 FEBDHN Cc1nn(C)c(C(=O)Nc2ccc(C)cc2OCCN(C)C)c1[N+](=O)[O-] ZINC000265611395 329142945 /nfs/dbraw/zinc/14/29/45/329142945.db2.gz HFDIRTDQEOGGGH-UHFFFAOYSA-N 0 3 361.402 2.138 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1NCCCN1CCC(C(=O)OC)CC1 ZINC000266959691 329276891 /nfs/dbraw/zinc/27/68/91/329276891.db2.gz HPZSLAYXIMUTCV-UHFFFAOYSA-N 0 3 365.430 2.428 20 5 FEBDHN CC[C@@H](NC(=O)NCCN(C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000267353850 329317972 /nfs/dbraw/zinc/31/79/72/329317972.db2.gz IGXRJCPLAWYKFK-MRXNPFEDSA-N 0 3 352.435 2.313 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CCCO)c2ccccc2)c1 ZINC000271760357 329722775 /nfs/dbraw/zinc/72/27/75/329722775.db2.gz HOJSYERXHWDMJA-PKOBYXMFSA-N 0 3 360.410 2.438 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000371458483 330244211 /nfs/dbraw/zinc/24/42/11/330244211.db2.gz KTMLABUIIYZXSR-FYCOFBDGSA-N 0 3 372.469 2.235 20 5 FEBDHN CN1CCN(C(=O)CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433173055 330274652 /nfs/dbraw/zinc/27/46/52/330274652.db2.gz IVAHNYGNYBIJBU-QGZVFWFLSA-N 0 3 360.458 2.071 20 5 FEBDHN COc1ccc([C@H]2[C@@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCCN2C)cc1 ZINC000159797662 545981043 /nfs/dbraw/zinc/98/10/43/545981043.db2.gz AGFQXKIVIJOOPJ-DYVFJYSZSA-N 0 3 373.413 2.139 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161310535 546119347 /nfs/dbraw/zinc/11/93/47/546119347.db2.gz XQUCLAIPNJLWQT-UHFFFAOYSA-N 0 3 355.398 2.059 20 5 FEBDHN Cc1cc(S(=O)(=O)NCc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000172015842 546233008 /nfs/dbraw/zinc/23/30/08/546233008.db2.gz VCCYUVLNMMWHNH-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN O=C1NC2(CCCC2)C(=O)N1CCCCNCc1ccccc1[N+](=O)[O-] ZINC000479870782 561198480 /nfs/dbraw/zinc/19/84/80/561198480.db2.gz FRPPFHWQRHUHQP-UHFFFAOYSA-N 0 3 360.414 2.329 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177763760 546682194 /nfs/dbraw/zinc/68/21/94/546682194.db2.gz UJLMRMOWAGNAQV-OLZOCXBDSA-N 0 3 363.414 2.311 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000481892263 561244787 /nfs/dbraw/zinc/24/47/87/561244787.db2.gz VPMQWOCAIWPROD-UHFFFAOYSA-N 0 3 358.402 2.087 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000483407320 561276246 /nfs/dbraw/zinc/27/62/46/561276246.db2.gz MXVHAGDZXWNZLV-HUUCEWRRSA-N 0 3 353.419 2.386 20 5 FEBDHN CNC(=O)C[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000483411505 561276384 /nfs/dbraw/zinc/27/63/84/561276384.db2.gz ABDXGZAQDVBNKM-MRXNPFEDSA-N 0 3 373.409 2.449 20 5 FEBDHN CN(CCOc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190778 547450379 /nfs/dbraw/zinc/45/03/79/547450379.db2.gz FRFHGGTZEQIIEA-CQSZACIVSA-N 0 3 364.373 2.484 20 5 FEBDHN Cc1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000183441893 547660202 /nfs/dbraw/zinc/66/02/02/547660202.db2.gz OCBAXQUQEXALPC-GOSISDBHSA-N 0 3 369.421 2.400 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000184204566 547787187 /nfs/dbraw/zinc/78/71/87/547787187.db2.gz ZFMNPLFQBNAYDY-UHFFFAOYSA-N 0 3 362.474 2.060 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184370445 547814394 /nfs/dbraw/zinc/81/43/94/547814394.db2.gz BOUAMNGESNFUQS-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN C[C@@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000184879295 547892691 /nfs/dbraw/zinc/89/26/91/547892691.db2.gz DYRBJVBEWXRXDQ-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)nc1-c1ccc(F)cc1 ZINC000485420860 561318791 /nfs/dbraw/zinc/31/87/91/561318791.db2.gz YASFEDWAIWOCEL-UHFFFAOYSA-N 0 3 360.389 2.300 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095802 561338026 /nfs/dbraw/zinc/33/80/26/561338026.db2.gz XTJSNQQBTPNNAO-JOQOYGCGSA-N 0 3 368.430 2.465 20 5 FEBDHN COCCN1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000194957719 548556630 /nfs/dbraw/zinc/55/66/30/548556630.db2.gz RLNOBTDUUATSHA-UHFFFAOYSA-N 0 3 362.430 2.010 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488072880 561382806 /nfs/dbraw/zinc/38/28/06/561382806.db2.gz GDKCTEMQKMIDJM-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246269215 549092704 /nfs/dbraw/zinc/09/27/04/549092704.db2.gz UVJGBTBJCCHEMD-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262807115 549851693 /nfs/dbraw/zinc/85/16/93/549851693.db2.gz QHNLSYVOAOXKTE-ZJUUUORDSA-N 0 3 356.220 2.109 20 5 FEBDHN CC(C)OCCOC[C@@H](O)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271121870 550342350 /nfs/dbraw/zinc/34/23/50/550342350.db2.gz FKAZLPCHRYZMQU-JKNJVXJCSA-N 0 3 352.431 2.342 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295016 550435282 /nfs/dbraw/zinc/43/52/82/550435282.db2.gz HSFJEUWCZJLNAS-ZANVPECISA-N 0 3 355.341 2.409 20 5 FEBDHN COCCCOCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000272399500 550444032 /nfs/dbraw/zinc/44/40/32/550444032.db2.gz WQPFKBIAHMIQNV-UHFFFAOYSA-N 0 3 362.430 2.480 20 5 FEBDHN CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274847386 550559148 /nfs/dbraw/zinc/55/91/48/550559148.db2.gz AICDPGJTOPLUIS-RYUDHWBXSA-N 0 3 367.475 2.093 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000277754015 550710142 /nfs/dbraw/zinc/71/01/42/550710142.db2.gz QLOKTRLESSQULF-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278505681 550793465 /nfs/dbraw/zinc/79/34/65/550793465.db2.gz LUNCOXYKUDUWFW-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000278519058 550794658 /nfs/dbraw/zinc/79/46/58/550794658.db2.gz MQVNBIUIDCVVGH-CQSZACIVSA-N 0 3 372.425 2.374 20 5 FEBDHN CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000495713774 561490509 /nfs/dbraw/zinc/49/05/09/561490509.db2.gz RXVMDWNUCWCWIS-CABCVRRESA-N 0 3 351.472 2.376 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280943240 551048075 /nfs/dbraw/zinc/04/80/75/551048075.db2.gz IBDCGLLHXRUYNE-MJGOQNOKSA-N 0 3 373.409 2.021 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC12CCOCC2 ZINC000282087710 551178820 /nfs/dbraw/zinc/17/88/20/551178820.db2.gz OKQPFFGIMAWASJ-INIZCTEOSA-N 0 3 363.414 2.481 20 5 FEBDHN CN(CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390048 561499992 /nfs/dbraw/zinc/49/99/92/561499992.db2.gz YNRPBGKBNVZBDU-DLBZAZTESA-N 0 3 368.437 2.245 20 5 FEBDHN CN(CC1CC1)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497534554 561503425 /nfs/dbraw/zinc/50/34/25/561503425.db2.gz RDSNNFZHQFJZMB-CQSZACIVSA-N 0 3 367.471 2.166 20 5 FEBDHN O=C(CCN1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295491 551343626 /nfs/dbraw/zinc/34/36/26/551343626.db2.gz MZKUTHMEIBOVKS-LSDHHAIUSA-N 0 3 351.428 2.130 20 5 FEBDHN Cn1nccc1[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1C1CC1 ZINC000284401119 551541819 /nfs/dbraw/zinc/54/18/19/551541819.db2.gz BDLHNBCFUHRJTM-VQIMIIECSA-N 0 3 369.425 2.313 20 5 FEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000284593154 551585430 /nfs/dbraw/zinc/58/54/30/551585430.db2.gz ZTKZMLDGOYHZFS-MRXNPFEDSA-N 0 3 373.409 2.401 20 5 FEBDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1O2 ZINC000284948742 551674773 /nfs/dbraw/zinc/67/47/73/551674773.db2.gz ADRZWYDGYBXELM-CQSZACIVSA-N 0 3 371.397 2.036 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000285493533 551765351 /nfs/dbraw/zinc/76/53/51/551765351.db2.gz DRWXYLLPBMOXGU-YIONKMFJSA-N 0 3 367.471 2.457 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000285556461 551774309 /nfs/dbraw/zinc/77/43/09/551774309.db2.gz RYUXXBPHQWUBCQ-YFCVBGDOSA-N 0 3 365.455 2.154 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000285574181 551777030 /nfs/dbraw/zinc/77/70/30/551777030.db2.gz NZCXNTFXXIYOLN-ZFWWWQNUSA-N 0 3 362.430 2.101 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286651135 551910761 /nfs/dbraw/zinc/91/07/61/551910761.db2.gz DQDGADNKNUQJBE-UHFFFAOYSA-N 0 3 350.375 2.451 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286738561 551920596 /nfs/dbraw/zinc/92/05/96/551920596.db2.gz OJBQXNHTWXJXOV-JSGCOSHPSA-N 0 3 371.434 2.290 20 5 FEBDHN COC(=O)c1cc(C)nc(N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000288087601 552088779 /nfs/dbraw/zinc/08/87/79/552088779.db2.gz ZTOUDHVOENKKNV-UHFFFAOYSA-N 0 3 362.386 2.246 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000288128229 552096428 /nfs/dbraw/zinc/09/64/28/552096428.db2.gz KMXHUZOMBXQMLH-GOEBONIOSA-N 0 3 374.441 2.235 20 5 FEBDHN CN(C)CCOC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000500293817 561569720 /nfs/dbraw/zinc/56/97/20/561569720.db2.gz UJLLFALLFQWVQK-UHFFFAOYSA-N 0 3 373.251 2.299 20 5 FEBDHN COc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCCO ZINC000293733332 552851253 /nfs/dbraw/zinc/85/12/53/552851253.db2.gz MZZYCIKEXUALEM-LBPRGKRZSA-N 0 3 361.398 2.408 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000293902959 552866485 /nfs/dbraw/zinc/86/64/85/552866485.db2.gz NBBRFVUGPHIBPB-DLBZAZTESA-N 0 3 370.409 2.078 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000294751429 552931659 /nfs/dbraw/zinc/93/16/59/552931659.db2.gz ANCVQOHNTLYPPN-UHFFFAOYSA-N 0 3 352.410 2.214 20 5 FEBDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000296012664 553089254 /nfs/dbraw/zinc/08/92/54/553089254.db2.gz LHGXYFKSMSUMPE-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN COC1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])n3C)CCCC2)CC1 ZINC000502510641 561620212 /nfs/dbraw/zinc/62/02/12/561620212.db2.gz NIYMBQYDSPBFSE-UHFFFAOYSA-N 0 3 364.446 2.087 20 5 FEBDHN CC(C)(C)OC(=O)N1CCO[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296551887 553178451 /nfs/dbraw/zinc/17/84/51/553178451.db2.gz MYEVXZMABWWZKX-OAHLLOKOSA-N 0 3 351.403 2.320 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000297768954 553336794 /nfs/dbraw/zinc/33/67/94/553336794.db2.gz LWEMOEKDNCUAMO-SMDDNHRTSA-N 0 3 351.378 2.299 20 5 FEBDHN C[C@@H]1C[C@]1(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382528 561640358 /nfs/dbraw/zinc/64/03/58/561640358.db2.gz IMKPTDPHNKTRII-HFBAOOFYSA-N 0 3 350.806 2.331 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503927 561643061 /nfs/dbraw/zinc/64/30/61/561643061.db2.gz JRFXBSKUZCKXQK-GASCZTMLSA-N 0 3 369.487 2.320 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000298820716 553477179 /nfs/dbraw/zinc/47/71/79/553477179.db2.gz BJZUMONRGVIKHI-GOEBONIOSA-N 0 3 374.441 2.235 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298999703 553501418 /nfs/dbraw/zinc/50/14/18/553501418.db2.gz JVDQRUDBTBKHJB-AWEZNQCLSA-N 0 3 373.457 2.080 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000299296886 553544016 /nfs/dbraw/zinc/54/40/16/553544016.db2.gz MRBNZYOSDBUDQF-GOEBONIOSA-N 0 3 374.441 2.235 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299372199 553554569 /nfs/dbraw/zinc/55/45/69/553554569.db2.gz QFQYBAHVOCKCNG-CYBMUJFWSA-N 0 3 350.419 2.078 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302194940 553709773 /nfs/dbraw/zinc/70/97/73/553709773.db2.gz SFULHJSXMGGFGU-CQSZACIVSA-N 0 3 370.475 2.165 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302284557 553714052 /nfs/dbraw/zinc/71/40/52/553714052.db2.gz VMYFQKMULZLKFX-NSHDSACASA-N 0 3 372.267 2.190 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000507771336 561740411 /nfs/dbraw/zinc/74/04/11/561740411.db2.gz DTIZDVPSJNPVFS-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN C[C@@H]1CCC[C@@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952535 561747103 /nfs/dbraw/zinc/74/71/03/561747103.db2.gz SAXBVXAXSSIJMV-ZIAGYGMSSA-N 0 3 355.460 2.289 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332075840 554375186 /nfs/dbraw/zinc/37/51/86/554375186.db2.gz FYOSERRNAMHHPK-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000332080176 554375621 /nfs/dbraw/zinc/37/56/21/554375621.db2.gz JIOGUEBGUBQVKU-HUUCEWRRSA-N 0 3 353.419 2.386 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000332080174 554375717 /nfs/dbraw/zinc/37/57/17/554375717.db2.gz JIOGUEBGUBQVKU-CABCVRRESA-N 0 3 353.419 2.386 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000332085526 554377230 /nfs/dbraw/zinc/37/72/30/554377230.db2.gz QPLJJSVZPZDPKT-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000332381722 554435721 /nfs/dbraw/zinc/43/57/21/554435721.db2.gz HEPIGTYIOOJQNC-RDTXWAMCSA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510523269 561837650 /nfs/dbraw/zinc/83/76/50/561837650.db2.gz LLPSPFZUMUCXAA-FZKQIMNGSA-N 0 3 359.430 2.216 20 5 FEBDHN Cc1nnc(C2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)[nH]1 ZINC000361304311 554915604 /nfs/dbraw/zinc/91/56/04/554915604.db2.gz OSUYRIKDXOILTE-MRXNPFEDSA-N 0 3 370.413 2.006 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000361503830 554922311 /nfs/dbraw/zinc/92/23/11/554922311.db2.gz PYYZDMYATWKMCJ-JQFCIGGWSA-N 0 3 374.441 2.350 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](N2CCCC2)C1 ZINC000361584352 554926248 /nfs/dbraw/zinc/92/62/48/554926248.db2.gz YUFXXJDQZBREMW-SFHVURJKSA-N 0 3 369.425 2.481 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362863659 554994201 /nfs/dbraw/zinc/99/42/01/554994201.db2.gz VXAACCWDEPNJBP-IMJJTQAJSA-N 0 3 362.430 2.127 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](N2CCCC2)C1 ZINC000363193836 555050547 /nfs/dbraw/zinc/05/05/47/555050547.db2.gz ZVZFWUBCDAMSPT-DZGCQCFKSA-N 0 3 362.430 2.101 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](N2CCCC2)C1 ZINC000363193838 555050589 /nfs/dbraw/zinc/05/05/89/555050589.db2.gz ZVZFWUBCDAMSPT-UKRRQHHQSA-N 0 3 362.430 2.101 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458201 555110979 /nfs/dbraw/zinc/11/09/79/555110979.db2.gz ZAWUNTMONOLGTD-NEPJUHHUSA-N 0 3 354.794 2.233 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C1 ZINC000363585036 555142005 /nfs/dbraw/zinc/14/20/05/555142005.db2.gz GBSCOQVFKUFJEA-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187253 555505801 /nfs/dbraw/zinc/50/58/01/555505801.db2.gz RGOINJBKBULRAH-NWDGAFQWSA-N 0 3 354.794 2.233 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1c2ccccc2CC[C@@H]1CO ZINC000365219042 555513692 /nfs/dbraw/zinc/51/36/92/555513692.db2.gz HLOMIHDYTGXHPW-QINHECLXSA-N 0 3 372.421 2.220 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000366172516 555771929 /nfs/dbraw/zinc/77/19/29/555771929.db2.gz ZXEMVRSIRUVTRR-ZDUSSCGKSA-N 0 3 356.382 2.146 20 5 FEBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]12 ZINC000366482908 555856573 /nfs/dbraw/zinc/85/65/73/555856573.db2.gz OQJWCRRHJNRSLE-HUUCEWRRSA-N 0 3 371.418 2.418 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000366609839 555889644 /nfs/dbraw/zinc/88/96/44/555889644.db2.gz QIZRYNOUAMKDAT-SFHVURJKSA-N 0 3 362.474 2.205 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244660 561965419 /nfs/dbraw/zinc/96/54/19/561965419.db2.gz LTMKNDWVLPLRLM-IJLUTSLNSA-N 0 3 367.402 2.108 20 5 FEBDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000367457714 556055606 /nfs/dbraw/zinc/05/56/06/556055606.db2.gz HPGDLEQPTSVCNT-UHFFFAOYSA-N 0 3 370.409 2.393 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870254 561984257 /nfs/dbraw/zinc/98/42/57/561984257.db2.gz XUUPTIKZBGRELN-BZNIZROVSA-N 0 3 353.369 2.358 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000368417938 556303143 /nfs/dbraw/zinc/30/31/43/556303143.db2.gz VGRJZHLTBKNOAK-DLBZAZTESA-N 0 3 359.357 2.066 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000368594798 556356997 /nfs/dbraw/zinc/35/69/97/556356997.db2.gz XLTBHYVPQMSGHP-BZNIZROVSA-N 0 3 356.382 2.015 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000516096486 562030541 /nfs/dbraw/zinc/03/05/41/562030541.db2.gz BRVCNHXBEYGLQG-LLVKDONJSA-N 0 3 361.354 2.098 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000369664015 556662531 /nfs/dbraw/zinc/66/25/31/556662531.db2.gz NQGKPHZHCAAZFO-UHFFFAOYSA-N 0 3 361.358 2.415 20 5 FEBDHN O=C(CCN1CCC(Oc2cnccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369684960 556668489 /nfs/dbraw/zinc/66/84/89/556668489.db2.gz YXCLHGKEPJOMHZ-UHFFFAOYSA-N 0 3 371.397 2.257 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000369721936 556677590 /nfs/dbraw/zinc/67/75/90/556677590.db2.gz PRLDQEUHVODZHA-UHFFFAOYSA-N 0 3 367.471 2.400 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502918 556892661 /nfs/dbraw/zinc/89/26/61/556892661.db2.gz LZPTWJBEKLUCSG-MRXNPFEDSA-N 0 3 355.394 2.493 20 5 FEBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000517219996 562080232 /nfs/dbraw/zinc/08/02/32/562080232.db2.gz GGHZMDATNMKDLY-YOEHRIQHSA-N 0 3 358.398 2.247 20 5 FEBDHN CN(C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000371283856 557131560 /nfs/dbraw/zinc/13/15/60/557131560.db2.gz MKARQVDJGBVHJM-QGZVFWFLSA-N 0 3 356.426 2.357 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713799 557271959 /nfs/dbraw/zinc/27/19/59/557271959.db2.gz DRBOVXQIMPMDSF-QZTJIDSGSA-N 0 3 363.414 2.479 20 5 FEBDHN CC[C@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047412 557365636 /nfs/dbraw/zinc/36/56/36/557365636.db2.gz QNIPERXCKYSECA-HKUYNNGSSA-N 0 3 362.474 2.042 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n1 ZINC000372497309 557486151 /nfs/dbraw/zinc/48/61/51/557486151.db2.gz PQNQXHUOYGJRAX-SFHVURJKSA-N 0 3 357.414 2.113 20 5 FEBDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000372543535 557498913 /nfs/dbraw/zinc/49/89/13/557498913.db2.gz FAAGCDCHHFTNLC-ZSOGYDGISA-N 0 3 365.434 2.311 20 5 FEBDHN O=C(CN1CC[C@H](N2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372617774 557522349 /nfs/dbraw/zinc/52/23/49/557522349.db2.gz QXGSHRABTYFLTC-ZDUSSCGKSA-N 0 3 352.822 2.357 20 5 FEBDHN CN1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000372660347 557532025 /nfs/dbraw/zinc/53/20/25/557532025.db2.gz OHPPYTRHJRLOSG-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN COc1cc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000373153159 557639574 /nfs/dbraw/zinc/63/95/74/557639574.db2.gz LJXGJQHALYQDNC-GUYCJALGSA-N 0 3 352.387 2.040 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000374204914 557843167 /nfs/dbraw/zinc/84/31/67/557843167.db2.gz MFJULDKMCNNBNU-UHFFFAOYSA-N 0 3 363.462 2.262 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000374505716 557892463 /nfs/dbraw/zinc/89/24/63/557892463.db2.gz OGJJSIXQPRWABF-KCXAZCMYSA-N 0 3 360.414 2.055 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000374597697 557904507 /nfs/dbraw/zinc/90/45/07/557904507.db2.gz WBUWZPMNSGQOEY-OAHLLOKOSA-N 0 3 362.474 2.204 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000374917078 557950811 /nfs/dbraw/zinc/95/08/11/557950811.db2.gz XWYWZBUTPQETGE-GWCFXTLKSA-N 0 3 355.341 2.362 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000375176990 557987745 /nfs/dbraw/zinc/98/77/45/557987745.db2.gz BUGPQLPKWFJDTE-UHFFFAOYSA-N 0 3 361.427 2.028 20 5 FEBDHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000375517747 558042079 /nfs/dbraw/zinc/04/20/79/558042079.db2.gz ZTRXUCDSZPCITR-GPMSIDNRSA-N 0 3 369.425 2.315 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376425349 558171172 /nfs/dbraw/zinc/17/11/72/558171172.db2.gz CKYIBRLLADWBKA-VIFPVBQESA-N 0 3 358.324 2.450 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451851 558175096 /nfs/dbraw/zinc/17/50/96/558175096.db2.gz XIRZQDCBLLTREX-KBXCAEBGSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1c(NC(=O)CCN2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000377168180 558280729 /nfs/dbraw/zinc/28/07/29/558280729.db2.gz JPKCRNMXXGKTRW-XYPHTWIQSA-N 0 3 374.441 2.350 20 5 FEBDHN C[C@@H](CO)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377841406 558433004 /nfs/dbraw/zinc/43/30/04/558433004.db2.gz AREMPJDNTHOCJG-NSHDSACASA-N 0 3 356.810 2.169 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524780777 562234607 /nfs/dbraw/zinc/23/46/07/562234607.db2.gz NAAUPNAYQNUFEF-ZFWWWQNUSA-N 0 3 350.419 2.098 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424710 558892602 /nfs/dbraw/zinc/89/26/02/558892602.db2.gz LLTMVTUZTDKJTL-KGLIPLIRSA-N 0 3 364.446 2.347 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428585 558893480 /nfs/dbraw/zinc/89/34/80/558893480.db2.gz QAGJFUNJJAGMLD-UONOGXRCSA-N 0 3 364.446 2.347 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000411484174 558902700 /nfs/dbraw/zinc/90/27/00/558902700.db2.gz OPWNPXOJFVQLIJ-OAHLLOKOSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553123 558916326 /nfs/dbraw/zinc/91/63/26/558916326.db2.gz ICLMYRBHQKDZOY-SUYBPPKGSA-N 0 3 374.441 2.030 20 5 FEBDHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755317 558957157 /nfs/dbraw/zinc/95/71/57/558957157.db2.gz IKGVXSZKRIZIJH-SCLBCKFNSA-N 0 3 370.409 2.171 20 5 FEBDHN O=C(CNC1(CO)C2CC3CC(C2)CC1C3)Nc1ccccc1[N+](=O)[O-] ZINC000412003633 559001378 /nfs/dbraw/zinc/00/13/78/559001378.db2.gz QOGBHVHFESHEHN-UHFFFAOYSA-N 0 3 359.426 2.310 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000415422697 559234067 /nfs/dbraw/zinc/23/40/67/559234067.db2.gz FAUZGIWCCZRMGI-MRXNPFEDSA-N 0 3 362.430 2.120 20 5 FEBDHN O=C(CCN1CCc2ccccc2C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000416187166 559297195 /nfs/dbraw/zinc/29/71/95/559297195.db2.gz DYVMGZDYQFODSA-UHFFFAOYSA-N 0 3 366.421 2.323 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c1C ZINC000416552741 559321431 /nfs/dbraw/zinc/32/14/31/559321431.db2.gz HYWUPNNXQGCNBF-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000421770277 559552715 /nfs/dbraw/zinc/55/27/15/559552715.db2.gz UJSUGLGTHDWUPY-UHFFFAOYSA-N 0 3 374.485 2.311 20 5 FEBDHN O=C(NC[C@@H]1CNCCO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423995373 559649660 /nfs/dbraw/zinc/64/96/60/559649660.db2.gz JJAYLNXLUATTLV-ZDUSSCGKSA-N 0 3 373.434 2.464 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1OCCN(C)C ZINC000426951746 559744781 /nfs/dbraw/zinc/74/47/81/559744781.db2.gz QVAUSONHPRXSAB-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CNC)c1 ZINC000428307625 559773191 /nfs/dbraw/zinc/77/31/91/559773191.db2.gz VSMKDMCOBPZIER-CQSZACIVSA-N 0 3 360.418 2.185 20 5 FEBDHN O=C(CNc1c(F)cc([N+](=O)[O-])cc1F)NCCN1CCCCCC1 ZINC000431495012 559840331 /nfs/dbraw/zinc/84/03/31/559840331.db2.gz NOLLGWFNHCKABX-UHFFFAOYSA-N 0 3 356.373 2.277 20 5 FEBDHN Cc1c(CNC(=O)NCCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000433456676 559881912 /nfs/dbraw/zinc/88/19/12/559881912.db2.gz NDADHJVULBHPOA-AWEZNQCLSA-N 0 3 364.446 2.203 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000433999392 559892407 /nfs/dbraw/zinc/89/24/07/559892407.db2.gz NNWBKRUKVBVIDB-PZTPBZSWSA-N 0 3 369.425 2.434 20 5 FEBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000434791790 559909452 /nfs/dbraw/zinc/90/94/52/559909452.db2.gz BINYNLWPNAJTHJ-JKSUJKDBSA-N 0 3 351.403 2.015 20 5 FEBDHN CCOC(=O)[C@@]1(COC)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000439485245 559995434 /nfs/dbraw/zinc/99/54/34/559995434.db2.gz IOYIVACSJMOTDT-SFHVURJKSA-N 0 3 366.414 2.265 20 5 FEBDHN CC(C)CN(Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441549291 560035460 /nfs/dbraw/zinc/03/54/60/560035460.db2.gz XCYIHLRRMQJMKJ-MRXNPFEDSA-N 0 3 350.394 2.450 20 5 FEBDHN Cc1cc(N2CCC[C@@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449169106 560218732 /nfs/dbraw/zinc/21/87/32/560218732.db2.gz CHMHUDAHCPXAKX-CZUORRHYSA-N 0 3 371.441 2.353 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCCN2CCO)c1 ZINC000449398313 560228839 /nfs/dbraw/zinc/22/88/39/560228839.db2.gz XRGISQAEXRGFBR-AWEZNQCLSA-N 0 3 359.373 2.133 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234065 560255156 /nfs/dbraw/zinc/25/51/56/560255156.db2.gz PPNHAQPLXRFWRO-HZPDHXFCSA-N 0 3 369.425 2.337 20 5 FEBDHN CCN1CCN(CC(C)(C)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000450923056 560278603 /nfs/dbraw/zinc/27/86/03/560278603.db2.gz PTHNTRTVTFMNJX-UHFFFAOYSA-N 0 3 364.475 2.428 20 5 FEBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450927830 560278892 /nfs/dbraw/zinc/27/88/92/560278892.db2.gz DSBVRQSNMKXFKA-OAHLLOKOSA-N 0 3 357.414 2.383 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689657 560322149 /nfs/dbraw/zinc/32/21/49/560322149.db2.gz MBISGERQRPIADB-HOCLYGCPSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455245269 560475319 /nfs/dbraw/zinc/47/53/19/560475319.db2.gz LFLQEUBCJRIKJA-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455888616 560499240 /nfs/dbraw/zinc/49/92/40/560499240.db2.gz DSRFYDCQRISIEL-UHFFFAOYSA-N 0 3 373.417 2.055 20 5 FEBDHN CC(C)(CN1CCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457055611 560546041 /nfs/dbraw/zinc/54/60/41/560546041.db2.gz SKBIBPGWPOVGKU-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000457929024 560594598 /nfs/dbraw/zinc/59/45/98/560594598.db2.gz MZOPOHZHEVXOON-ZDUSSCGKSA-N 0 3 362.430 2.229 20 5 FEBDHN CC[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514710 560628810 /nfs/dbraw/zinc/62/88/10/560628810.db2.gz RLIWCSKMIAYFGW-RDJZCZTQSA-N 0 3 364.446 2.192 20 5 FEBDHN CCOc1ccc(NC(=O)CN2[C@@H](C)CN(CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000459454314 560687440 /nfs/dbraw/zinc/68/74/40/560687440.db2.gz DBBFBXLNULFXEN-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN CC(C)CN(Cc1cnn(C)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459601358 560697033 /nfs/dbraw/zinc/69/70/33/560697033.db2.gz XKKGBYBFUQLHBJ-INIZCTEOSA-N 0 3 362.430 2.226 20 5 FEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)Cn2ccnn2)s1 ZINC000459696531 560702878 /nfs/dbraw/zinc/70/28/78/560702878.db2.gz LMKVHSSDPKWNHA-GFCCVEGCSA-N 0 3 359.411 2.066 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781745 560707948 /nfs/dbraw/zinc/70/79/48/560707948.db2.gz MHXAQINMLACWMM-JKSUJKDBSA-N 0 3 364.398 2.194 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468320773 560927050 /nfs/dbraw/zinc/92/70/50/560927050.db2.gz AOVNKKSCPSAJCC-OAHLLOKOSA-N 0 3 362.430 2.242 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000470170321 560976021 /nfs/dbraw/zinc/97/60/21/560976021.db2.gz SEFOAJXMCXAJJD-GHRIWEEISA-N 0 3 372.469 2.238 20 5 FEBDHN COC(=O)c1cn([C@@H]2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208204 560976756 /nfs/dbraw/zinc/97/67/56/560976756.db2.gz GOTDCSGSXBEQNL-LPDYGMJQSA-N 0 3 371.397 2.323 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CCC2)cc1OC ZINC000474102290 561065667 /nfs/dbraw/zinc/06/56/67/561065667.db2.gz ZTHUYWKBGORKOB-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN COC[C@H]1CCCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475110849 561090700 /nfs/dbraw/zinc/09/07/00/561090700.db2.gz OOKCURKMOGPUML-HNNXBMFYSA-N 0 3 366.414 2.395 20 5 FEBDHN COC(=O)COc1ccc(CN(C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000475131170 561091210 /nfs/dbraw/zinc/09/12/10/561091210.db2.gz TWPSDCJWEXRUAL-CQSZACIVSA-N 0 3 352.387 2.148 20 5 FEBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c(C)c2)CC1 ZINC000476060676 561110494 /nfs/dbraw/zinc/11/04/94/561110494.db2.gz FUBMEYJJHSBFIY-UHFFFAOYSA-N 0 3 372.429 2.031 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000476355962 561117503 /nfs/dbraw/zinc/11/75/03/561117503.db2.gz RKIVHQSPOLOLRI-HNNXBMFYSA-N 0 3 357.414 2.113 20 5 FEBDHN CC(C)(O)CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000530701053 562421198 /nfs/dbraw/zinc/42/11/98/562421198.db2.gz XLOAJYQHVNVZEU-UHFFFAOYSA-N 0 3 366.414 2.213 20 5 FEBDHN CN(C)[C@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCSC1 ZINC000533806678 562518610 /nfs/dbraw/zinc/51/86/10/562518610.db2.gz HZFJXKRMNHOSII-KRWDZBQOSA-N 0 3 364.471 2.100 20 5 FEBDHN CN1Cc2ccccc2[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000535271173 562554758 /nfs/dbraw/zinc/55/47/58/562554758.db2.gz PRHSDHAPYJJABE-INIZCTEOSA-N 0 3 351.366 2.388 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541022355 562600515 /nfs/dbraw/zinc/60/05/15/562600515.db2.gz AHIVZWZDRYTLJP-CQSZACIVSA-N 0 3 371.315 2.099 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541022354 562600650 /nfs/dbraw/zinc/60/06/50/562600650.db2.gz AHIVZWZDRYTLJP-AWEZNQCLSA-N 0 3 371.315 2.099 20 5 FEBDHN COc1ccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542069873 562626328 /nfs/dbraw/zinc/62/63/28/562626328.db2.gz KNHDORBSPTWGMW-LJQANCHMSA-N 0 3 371.393 2.179 20 5 FEBDHN CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736556067 599123809 /nfs/dbraw/zinc/12/38/09/599123809.db2.gz UVEANNXVTSXOEI-GFCCVEGCSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736556067 599123811 /nfs/dbraw/zinc/12/38/11/599123811.db2.gz UVEANNXVTSXOEI-GFCCVEGCSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556067 599123812 /nfs/dbraw/zinc/12/38/12/599123812.db2.gz UVEANNXVTSXOEI-GFCCVEGCSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556067 599123814 /nfs/dbraw/zinc/12/38/14/599123814.db2.gz UVEANNXVTSXOEI-GFCCVEGCSA-N 0 3 356.390 2.055 20 5 FEBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736239781 598498521 /nfs/dbraw/zinc/49/85/21/598498521.db2.gz XVJWBBUVLKPPFK-UPJWGTAASA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736239781 598498524 /nfs/dbraw/zinc/49/85/24/598498524.db2.gz XVJWBBUVLKPPFK-UPJWGTAASA-N 0 3 372.433 2.012 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738357161 599534503 /nfs/dbraw/zinc/53/45/03/599534503.db2.gz DPVXALLSKLYEHZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000738357161 599534506 /nfs/dbraw/zinc/53/45/06/599534506.db2.gz DPVXALLSKLYEHZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738357161 599534509 /nfs/dbraw/zinc/53/45/09/599534509.db2.gz DPVXALLSKLYEHZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000738357161 599534511 /nfs/dbraw/zinc/53/45/11/599534511.db2.gz DPVXALLSKLYEHZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN COc1cc(CN(CCNC(C)=O)C2CCSCC2)ccc1[N+](=O)[O-] ZINC000558864700 674518538 /nfs/dbraw/zinc/51/85/38/674518538.db2.gz ZWVMJWARUJYYGV-UHFFFAOYSA-N 0 3 367.471 2.437 20 5 FEBDHN COC(=O)c1cc(C)nc(NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000559588594 674548907 /nfs/dbraw/zinc/54/89/07/674548907.db2.gz PBKYJNIVUYMRRF-LBPRGKRZSA-N 0 3 364.427 2.861 20 5 FEBDHN C[N@@H+]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029197 608379614 /nfs/dbraw/zinc/37/96/14/608379614.db2.gz QIOVXQQRXWSIFL-NSHDSACASA-N 0 3 368.401 2.077 20 5 FEBDHN C[N@H+]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029197 608379615 /nfs/dbraw/zinc/37/96/15/608379615.db2.gz QIOVXQQRXWSIFL-NSHDSACASA-N 0 3 368.401 2.077 20 5 FEBDHN C[N@@H+]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029197 608379618 /nfs/dbraw/zinc/37/96/18/608379618.db2.gz QIOVXQQRXWSIFL-NSHDSACASA-N 0 3 368.401 2.077 20 5 FEBDHN C[N@H+]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029197 608379619 /nfs/dbraw/zinc/37/96/19/608379619.db2.gz QIOVXQQRXWSIFL-NSHDSACASA-N 0 3 368.401 2.077 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC(CO)CO)cc1 ZINC000561522309 674674980 /nfs/dbraw/zinc/67/49/80/674674980.db2.gz AEPUGWJCCZPXCH-UHFFFAOYSA-N 0 3 352.774 2.483 20 5 FEBDHN CC(COC(=O)c1ccc(F)cc1I)[N+](=O)[O-] ZINC000813111007 674721111 /nfs/dbraw/zinc/72/11/11/674721111.db2.gz OAROGUODZYAXFS-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C/C(Cl)=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001048525556 675008983 /nfs/dbraw/zinc/00/89/83/675008983.db2.gz XSGYLMYJMZBNKK-ODFKDJIGSA-N 0 3 362.257 2.330 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000816950188 675090045 /nfs/dbraw/zinc/09/00/45/675090045.db2.gz MZKFCBOCARPTIF-PELKAZGASA-N 0 3 372.194 2.273 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000573010879 671071405 /nfs/dbraw/zinc/07/14/05/671071405.db2.gz VTQRPBFKDRQOSS-AWEZNQCLSA-N 0 3 357.476 2.177 20 5 FEBDHN CCc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000578009292 671634254 /nfs/dbraw/zinc/63/42/54/671634254.db2.gz NWDMYPIZXWJZKB-LSDHHAIUSA-N 0 3 353.444 2.062 20 5 FEBDHN CCc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000580186479 671788677 /nfs/dbraw/zinc/78/86/77/671788677.db2.gz WBAZOLSRGLKTQE-CQSZACIVSA-N 0 3 367.471 2.452 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119393252 671898582 /nfs/dbraw/zinc/89/85/82/671898582.db2.gz NQGDZVONXXJRGD-UHFFFAOYSA-N 0 3 361.439 2.476 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000610135309 675956216 /nfs/dbraw/zinc/95/62/16/675956216.db2.gz PLMNXMXWPUCKQE-VXGBXAGGSA-N 0 3 359.423 2.227 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153771984 672204534 /nfs/dbraw/zinc/20/45/34/672204534.db2.gz VSYDDMZOVFLTPH-UHFFFAOYSA-N 0 3 368.865 2.234 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000590590314 672593221 /nfs/dbraw/zinc/59/32/21/672593221.db2.gz DPLCPWPGVSGNIP-UHFFFAOYSA-N 0 3 359.423 2.147 20 5 FEBDHN CCOc1ccc(NC(=O)CNC2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000611463014 676038782 /nfs/dbraw/zinc/03/87/82/676038782.db2.gz MEURYEXUVGSLMH-UHFFFAOYSA-N 0 3 351.403 2.217 20 5 FEBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591586674 672692293 /nfs/dbraw/zinc/69/22/93/672692293.db2.gz HARIRFXHBLKSTI-ZDUSSCGKSA-N 0 3 365.455 2.348 20 5 FEBDHN COC[C@@H](CC(C)(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615093 672958656 /nfs/dbraw/zinc/95/86/56/672958656.db2.gz IWAFDXREFICDNS-CYBMUJFWSA-N 0 3 358.460 2.409 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000372005493 673150751 /nfs/dbraw/zinc/15/07/51/673150751.db2.gz AHTNINIFDBYDQV-QGZVFWFLSA-N 0 3 369.849 2.219 20 5 FEBDHN CNS(=O)(=O)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000595485549 673257300 /nfs/dbraw/zinc/25/73/00/673257300.db2.gz VLOQEUNUHNGVTL-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN COCC1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000595908123 673337645 /nfs/dbraw/zinc/33/76/45/673337645.db2.gz GDKRMSPWTDUBKG-UHFFFAOYSA-N 0 3 351.403 2.481 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598598616 673587755 /nfs/dbraw/zinc/58/77/55/673587755.db2.gz GNPXLKGFINRCIZ-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855288 673610501 /nfs/dbraw/zinc/61/05/01/673610501.db2.gz COWWBDOGJUDUAM-SKDRFNHKSA-N 0 3 355.341 2.409 20 5 FEBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000599302221 673655924 /nfs/dbraw/zinc/65/59/24/673655924.db2.gz AWZPTVUUYBRASA-HNNXBMFYSA-N 0 3 350.415 2.104 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626576 673699241 /nfs/dbraw/zinc/69/92/41/673699241.db2.gz RYCNZJUOGHLYOY-VZTWBHMWSA-N 0 3 351.403 2.332 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599965982 673730983 /nfs/dbraw/zinc/73/09/83/673730983.db2.gz JDUAJIIETCQYDS-CABZTGNLSA-N 0 3 354.204 2.133 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000599966459 673731022 /nfs/dbraw/zinc/73/10/22/673731022.db2.gz JDUAJIIETCQYDS-SKDRFNHKSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779235 673817987 /nfs/dbraw/zinc/81/79/87/673817987.db2.gz ZPGIUANJCLKGRM-OKILXGFUSA-N 0 3 355.460 2.277 20 5 FEBDHN CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000601437884 673862392 /nfs/dbraw/zinc/86/23/92/673862392.db2.gz WOKRHNYNWQMYOZ-KGLIPLIRSA-N 0 3 353.419 2.386 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000602805474 673911426 /nfs/dbraw/zinc/91/14/26/673911426.db2.gz KERUERVVJBRHIR-ZDUSSCGKSA-N 0 3 358.320 2.442 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602846452 673911696 /nfs/dbraw/zinc/91/16/96/673911696.db2.gz OPTVDZMCGRLPIB-TZMCWYRMSA-N 0 3 352.435 2.399 20 5 FEBDHN O=C(CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000602987642 673914676 /nfs/dbraw/zinc/91/46/76/673914676.db2.gz MWHJUUHUGREBQR-GXFFZTMASA-N 0 3 361.320 2.026 20 5 FEBDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548085166 673921540 /nfs/dbraw/zinc/92/15/40/673921540.db2.gz UZTCSHQPTUHBOK-UHFFFAOYSA-N 0 3 361.427 2.427 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567771251 675320676 /nfs/dbraw/zinc/32/06/76/675320676.db2.gz WQIQEKIKZFHWQD-WFASDCNBSA-N 0 3 355.460 2.118 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825797523 675669432 /nfs/dbraw/zinc/66/94/32/675669432.db2.gz YVPLDWZNFJCHQO-LBPRGKRZSA-N 0 3 352.410 2.404 20 5 FEBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825877767 675672462 /nfs/dbraw/zinc/67/24/62/675672462.db2.gz PEZLJHWZFFRTHU-SNVBAGLBSA-N 0 3 371.235 2.357 20 5 FEBDHN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000616071357 676238313 /nfs/dbraw/zinc/23/83/13/676238313.db2.gz YPUWUCFFVYWABN-GFCCVEGCSA-N 0 3 361.489 2.445 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619499150 676381868 /nfs/dbraw/zinc/38/18/68/676381868.db2.gz BGDYFMKHTMLDBE-UHFFFAOYSA-N 0 3 371.459 2.100 20 5 FEBDHN CC(C)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839720187 680774357 /nfs/dbraw/zinc/77/43/57/680774357.db2.gz IRWBHNVPGDLFSV-CAPXZKIUSA-N 0 3 353.369 2.270 20 5 FEBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2sccc2Cl)CC1 ZINC001005379764 680573497 /nfs/dbraw/zinc/57/34/97/680573497.db2.gz VWULGOQTLDPXJT-DGCLKSJQSA-N 0 3 357.863 2.490 20 5 FEBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cc(O)ccc2Cl)CC1 ZINC001045437455 680629802 /nfs/dbraw/zinc/62/98/02/680629802.db2.gz RWNTUSIYQYTDKV-UKRRQHHQSA-N 0 3 367.833 2.182 20 5 FEBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCNC[C@@](C)(F)C1 ZINC000843388407 681000843 /nfs/dbraw/zinc/00/08/43/681000843.db2.gz YAWWRCKUDGUGRQ-ZUZCIYMTSA-N 0 3 358.801 2.209 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932704427 681292283 /nfs/dbraw/zinc/29/22/83/681292283.db2.gz UXRWOXXILASXDR-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN CCC(C)(C)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000848303299 681510792 /nfs/dbraw/zinc/51/07/92/681510792.db2.gz UUIUFNQFKZDZOK-UHFFFAOYSA-N 0 3 353.394 2.446 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CCN(CC)C1 ZINC000855490926 682676134 /nfs/dbraw/zinc/67/61/34/682676134.db2.gz MFQVBVNQQSITIY-GFCCVEGCSA-N 0 3 352.410 2.356 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855898237 682723358 /nfs/dbraw/zinc/72/33/58/682723358.db2.gz LMLMVDSXJLYHBT-NSHDSACASA-N 0 3 363.443 2.450 20 5 FEBDHN CC([C@@H](OC(=O)c1noc2c1COCC2)c1ccccc1F)[N+](=O)[O-] ZINC000857853560 682919605 /nfs/dbraw/zinc/91/96/05/682919605.db2.gz DKUYJFDERIFZGB-BJOHPYRUSA-N 0 3 350.302 2.450 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000866863672 684170342 /nfs/dbraw/zinc/17/03/42/684170342.db2.gz RWQRKONUMXBTIT-TZMCWYRMSA-N 0 3 373.450 2.393 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1F ZINC000866985656 684191439 /nfs/dbraw/zinc/19/14/39/684191439.db2.gz KBRRPOSEHZSREH-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN CCS(=O)(=O)N1CCC(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872061772 684917723 /nfs/dbraw/zinc/91/77/23/684917723.db2.gz GTTSLYQVEBKEAY-LBPRGKRZSA-N 0 3 373.450 2.446 20 5 FEBDHN CCS(=O)(=O)N1CCC(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872061769 684917785 /nfs/dbraw/zinc/91/77/85/684917785.db2.gz GTTSLYQVEBKEAY-GFCCVEGCSA-N 0 3 373.450 2.446 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877740125 686447955 /nfs/dbraw/zinc/44/79/55/686447955.db2.gz VBNKRGVPXDOVQF-KBPBESRZSA-N 0 3 366.439 2.332 20 5 FEBDHN C[C@](CO)(NC[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273604 686784587 /nfs/dbraw/zinc/78/45/87/686784587.db2.gz WRBQXNVPFZLSCS-DLBZAZTESA-N 0 3 350.415 2.120 20 5 FEBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133974 687003977 /nfs/dbraw/zinc/00/39/77/687003977.db2.gz KJQFZGRDYTWYHA-KBPBESRZSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076249587 542250309 /nfs/dbraw/zinc/25/03/09/542250309.db2.gz ZBXLWVWDYXNEKE-UHFFFAOYSA-N 0 3 372.429 2.090 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000026852814 539794872 /nfs/dbraw/zinc/79/48/72/539794872.db2.gz FCNZXZPLIWREBM-INIZCTEOSA-N 0 3 355.394 2.364 20 5 FEBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535760 539884535 /nfs/dbraw/zinc/88/45/35/539884535.db2.gz ZYSDEBDPBQMWEO-IUODEOHRSA-N 0 3 360.366 2.414 20 5 FEBDHN Cc1cc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000031464896 539908152 /nfs/dbraw/zinc/90/81/52/539908152.db2.gz SFZIUAAZACPYHO-UHFFFAOYSA-N 0 3 370.409 2.447 20 5 FEBDHN COC(=O)c1cc(C(=O)NCCN(C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000054281580 540580369 /nfs/dbraw/zinc/58/03/69/540580369.db2.gz WTLOHYRAAPJKDM-UHFFFAOYSA-N 0 3 371.393 2.243 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000060441843 541112485 /nfs/dbraw/zinc/11/24/85/541112485.db2.gz YXNYDUWKWSOKQO-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN COc1cc(OCC(=O)N2CCCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000063727990 541182178 /nfs/dbraw/zinc/18/21/78/541182178.db2.gz XUQVMXYUIKHFQI-UHFFFAOYSA-N 0 3 365.430 2.315 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H](C)C1 ZINC000066614311 541346330 /nfs/dbraw/zinc/34/63/30/541346330.db2.gz NZTYZPMOXMLUQV-OLZOCXBDSA-N 0 3 363.414 2.216 20 5 FEBDHN CCCc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000068310190 541575513 /nfs/dbraw/zinc/57/55/13/541575513.db2.gz UCYKLTBYBHFHJS-AWEZNQCLSA-N 0 3 359.430 2.173 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247419485 549331619 /nfs/dbraw/zinc/33/16/19/549331619.db2.gz KDDJIMQZJFBVFS-UONOGXRCSA-N 0 3 353.444 2.008 20 5 FEBDHN COc1ccc(-c2ccc(CN(CCO)CCCO)o2)c([N+](=O)[O-])c1 ZINC000093324001 542927161 /nfs/dbraw/zinc/92/71/61/542927161.db2.gz RPZFXWXKUNPZEX-UHFFFAOYSA-N 0 3 350.371 2.040 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCc2ccccc2CN(C)C)c([N+](=O)[O-])c1 ZINC000101569463 543034043 /nfs/dbraw/zinc/03/40/43/543034043.db2.gz WHEGMVMLKIAAIE-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000106891625 543252880 /nfs/dbraw/zinc/25/28/80/543252880.db2.gz OVNGKHHEWZZPKE-NSHDSACASA-N 0 3 357.407 2.029 20 5 FEBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000112851479 543465165 /nfs/dbraw/zinc/46/51/65/543465165.db2.gz JTYVNBDYDPIJRF-ZBFHGGJFSA-N 0 3 374.441 2.175 20 5 FEBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000112851486 543465291 /nfs/dbraw/zinc/46/52/91/543465291.db2.gz KAAFBOIETJKBFS-GDBMZVCRSA-N 0 3 374.441 2.175 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112922738 543469098 /nfs/dbraw/zinc/46/90/98/543469098.db2.gz MEEGAQNDVFYXPY-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN CN(C)CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000117259360 543625144 /nfs/dbraw/zinc/62/51/44/543625144.db2.gz LPEKPEFKIZLOJE-UHFFFAOYSA-N 0 3 372.425 2.383 20 5 FEBDHN CN(C)CCn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000117646743 543636521 /nfs/dbraw/zinc/63/65/21/543636521.db2.gz HBEPNVXWEYEHEH-UHFFFAOYSA-N 0 3 351.794 2.188 20 5 FEBDHN COc1cc(CN[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119646250 543669821 /nfs/dbraw/zinc/66/98/21/543669821.db2.gz PEZWSUOJULYIEG-VIFPVBQESA-N 0 3 352.309 2.405 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000124407501 543819348 /nfs/dbraw/zinc/81/93/48/543819348.db2.gz OWVNHCURBOAARH-UONOGXRCSA-N 0 3 357.414 2.335 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000124667124 543836369 /nfs/dbraw/zinc/83/63/69/543836369.db2.gz CHYVQKBAHWVQJZ-SUMWQHHRSA-N 0 3 357.414 2.335 20 5 FEBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000126187191 543922621 /nfs/dbraw/zinc/92/26/21/543922621.db2.gz VSEHDTBPTLECAM-GOSISDBHSA-N 0 3 358.442 2.118 20 5 FEBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128649717 544065205 /nfs/dbraw/zinc/06/52/05/544065205.db2.gz RXHPZDYJRFUQQV-SJORKVTESA-N 0 3 369.425 2.454 20 5 FEBDHN CCC1(CO)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000128385214 544049727 /nfs/dbraw/zinc/04/97/27/544049727.db2.gz JLAXHNOFVQMDBU-UHFFFAOYSA-N 0 3 365.430 2.417 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000133630467 544277709 /nfs/dbraw/zinc/27/77/09/544277709.db2.gz DJEMBZSRDXFQMT-UHFFFAOYSA-N 0 3 351.451 2.169 20 5 FEBDHN COc1cc(S(=O)(=O)NCCN(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000150802353 544473398 /nfs/dbraw/zinc/47/33/98/544473398.db2.gz UVLMUQHJJDFARF-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000151637336 544565433 /nfs/dbraw/zinc/56/54/33/544565433.db2.gz IJPYKWBCSQBOOH-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000151979307 544602300 /nfs/dbraw/zinc/60/23/00/544602300.db2.gz JYOGTDBGNYTJFE-OKILXGFUSA-N 0 3 364.446 2.256 20 5 FEBDHN O=c1[nH]cnc2cc(N3CCN(C4CCCCC4)CC3)c([N+](=O)[O-])cc12 ZINC000152437098 544652483 /nfs/dbraw/zinc/65/24/83/544652483.db2.gz VLGZPHGFCJWQFL-UHFFFAOYSA-N 0 3 357.414 2.286 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc([N+](=O)[O-])c1F ZINC000154319549 544890253 /nfs/dbraw/zinc/89/02/53/544890253.db2.gz RUSJSGHWRONSGN-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1nn(C)c(C(=O)N(C)CC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000154321999 544891529 /nfs/dbraw/zinc/89/15/29/544891529.db2.gz WFEGZEAVHIVVIV-UHFFFAOYSA-N 0 3 372.429 2.020 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000155073989 544985163 /nfs/dbraw/zinc/98/51/63/544985163.db2.gz KEOCBNKJHLFAFG-INIZCTEOSA-N 0 3 367.471 2.279 20 5 FEBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186892341 327988736 /nfs/dbraw/zinc/98/87/36/327988736.db2.gz AUAOHHRACQMZII-NSHDSACASA-N 0 3 356.785 2.470 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188447626 328087529 /nfs/dbraw/zinc/08/75/29/328087529.db2.gz BGJSQZORLNKFFX-UHFFFAOYSA-N 0 3 358.398 2.087 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c1C ZINC000189132250 328130444 /nfs/dbraw/zinc/13/04/44/328130444.db2.gz QAEQAPZQWFKGHZ-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000189867664 328172514 /nfs/dbraw/zinc/17/25/14/328172514.db2.gz VAXLUSXYDFYINE-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN COc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000189957870 328178705 /nfs/dbraw/zinc/17/87/05/328178705.db2.gz KWWFZDHTBTYJFE-LBPRGKRZSA-N 0 3 355.410 2.020 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000192054409 328297361 /nfs/dbraw/zinc/29/73/61/328297361.db2.gz ZWYSJLWFCFYQME-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000192146423 328302543 /nfs/dbraw/zinc/30/25/43/328302543.db2.gz XWRPNHGTSQLUHF-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000193430266 328374932 /nfs/dbraw/zinc/37/49/32/328374932.db2.gz JEMKHEJJWQJGHC-UHFFFAOYSA-N 0 3 361.423 2.239 20 5 FEBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000193689482 328389806 /nfs/dbraw/zinc/38/98/06/328389806.db2.gz CMHUYOGERVBHPS-OAHLLOKOSA-N 0 3 351.790 2.387 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080132469 325119553 /nfs/dbraw/zinc/11/95/53/325119553.db2.gz KEWJUAHDTSBRJT-UHFFFAOYSA-N 0 3 371.441 2.016 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080504564 325134175 /nfs/dbraw/zinc/13/41/75/325134175.db2.gz BTNICGHZFWZNFF-QGZVFWFLSA-N 0 3 371.441 2.223 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000090015514 325351511 /nfs/dbraw/zinc/35/15/11/325351511.db2.gz VPPIBSXRGQEPPY-LLVKDONJSA-N 0 3 355.441 2.285 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000090551814 325362931 /nfs/dbraw/zinc/36/29/31/325362931.db2.gz FNSSRFBNHSMLJZ-GOSISDBHSA-N 0 3 357.410 2.128 20 5 FEBDHN CS(=O)(=O)Nc1ccc(OCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000091069795 325372171 /nfs/dbraw/zinc/37/21/71/325372171.db2.gz SUTHEFFYWJUKQA-UHFFFAOYSA-N 0 3 365.411 2.135 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107708628 325633724 /nfs/dbraw/zinc/63/37/24/325633724.db2.gz WZDWMSVQCGPNML-CQSZACIVSA-N 0 3 353.444 2.234 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000120249905 326243720 /nfs/dbraw/zinc/24/37/20/326243720.db2.gz XJXGIWMCBMYCCR-UHFFFAOYSA-N 0 3 350.419 2.444 20 5 FEBDHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120324676 326249730 /nfs/dbraw/zinc/24/97/30/326249730.db2.gz KAMWWAKGFYFWMM-INIZCTEOSA-N 0 3 369.487 2.382 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000120670152 326277380 /nfs/dbraw/zinc/27/73/80/326277380.db2.gz WVKVRQKQNUNRNU-QWRGUYRKSA-N 0 3 368.821 2.128 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000120923043 326299191 /nfs/dbraw/zinc/29/91/91/326299191.db2.gz MPTNNNHZGMPQHD-AWEZNQCLSA-N 0 3 364.446 2.243 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000121286866 326327344 /nfs/dbraw/zinc/32/73/44/326327344.db2.gz BKJHYOCGALNOSJ-UONOGXRCSA-N 0 3 355.460 2.363 20 5 FEBDHN COc1ccc([C@@H]2C[C@@H](C)CN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000121795801 326367957 /nfs/dbraw/zinc/36/79/57/326367957.db2.gz YBAJEMLMWJOELI-SKDZVZGDSA-N 0 3 360.414 2.244 20 5 FEBDHN CC1CCN(CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130774605 326563025 /nfs/dbraw/zinc/56/30/25/326563025.db2.gz ZRBNXXXEWWYINB-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN CN(C)[C@H](CNC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000162460446 327026220 /nfs/dbraw/zinc/02/62/20/327026220.db2.gz LVWBPSYDENFEKZ-LJQANCHMSA-N 0 3 368.437 2.376 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000162797891 327035140 /nfs/dbraw/zinc/03/51/40/327035140.db2.gz PMFKFRVOWMVIHA-UHFFFAOYSA-N 0 3 364.446 2.196 20 5 FEBDHN CNC(=O)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170906757 327106857 /nfs/dbraw/zinc/10/68/57/327106857.db2.gz NZOBTYVVRRADBN-UHFFFAOYSA-N 0 3 358.398 2.250 20 5 FEBDHN C[C@@H](CN1CCCC1=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171050844 327114482 /nfs/dbraw/zinc/11/44/82/327114482.db2.gz INRMYENOSFPOID-ZDUSSCGKSA-N 0 3 357.414 2.096 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173995290 327300330 /nfs/dbraw/zinc/30/03/30/327300330.db2.gz ONNNGOVUPXSXQZ-NSHDSACASA-N 0 3 361.851 2.353 20 5 FEBDHN COc1ccc(CSCC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174022070 327302202 /nfs/dbraw/zinc/30/22/02/327302202.db2.gz XZCKCHMHUYKQDN-UHFFFAOYSA-N 0 3 353.444 2.047 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000174105296 327306547 /nfs/dbraw/zinc/30/65/47/327306547.db2.gz CGRIUQYNJDCLCS-GFCCVEGCSA-N 0 3 367.402 2.363 20 5 FEBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727957 327346540 /nfs/dbraw/zinc/34/65/40/327346540.db2.gz ZXKHPZDSDSFNAE-JSGCOSHPSA-N 0 3 370.356 2.495 20 5 FEBDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087045 327372953 /nfs/dbraw/zinc/37/29/53/327372953.db2.gz XMXQSQUUCUOSEJ-QWRGUYRKSA-N 0 3 361.851 2.399 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000175130611 327375897 /nfs/dbraw/zinc/37/58/97/327375897.db2.gz JHLKFLMAMMEMHR-ZFWWWQNUSA-N 0 3 355.460 2.172 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175149290 327376862 /nfs/dbraw/zinc/37/68/62/327376862.db2.gz SYNGDZYEKMEROM-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000175217127 327380561 /nfs/dbraw/zinc/38/05/61/327380561.db2.gz RYJYUJZRMZMUNM-MRXNPFEDSA-N 0 3 373.457 2.361 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920579 329172803 /nfs/dbraw/zinc/17/28/03/329172803.db2.gz CAQIJLIYKIAPRA-DGCLKSJQSA-N 0 3 351.403 2.167 20 5 FEBDHN CCN(CC)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266207071 329200626 /nfs/dbraw/zinc/20/06/26/329200626.db2.gz LLBZIFDJWSQSQM-CYBMUJFWSA-N 0 3 355.460 2.166 20 5 FEBDHN C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864747 329266949 /nfs/dbraw/zinc/26/69/49/329266949.db2.gz LXMMODGKLJRKJC-SWLSCSKDSA-N 0 3 360.366 2.414 20 5 FEBDHN CN(C)[C@@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCSC1 ZINC000267101013 329291846 /nfs/dbraw/zinc/29/18/46/329291846.db2.gz OWRLMWCLPDNFGP-QGZVFWFLSA-N 0 3 364.471 2.336 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267853156 329363221 /nfs/dbraw/zinc/36/32/21/329363221.db2.gz NOYBBQMGYWAUOR-CABCVRRESA-N 0 3 362.430 2.372 20 5 FEBDHN CNC(=O)c1ccc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912095 329367725 /nfs/dbraw/zinc/36/77/25/329367725.db2.gz GHMMLNFOJFFKMC-OKILXGFUSA-N 0 3 364.446 2.256 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000273950581 329904951 /nfs/dbraw/zinc/90/49/51/329904951.db2.gz STRCXEXGMDOPBA-UHFFFAOYSA-N 0 3 372.385 2.138 20 5 FEBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827038 330093573 /nfs/dbraw/zinc/09/35/73/330093573.db2.gz SUVPNAWIVGXCFQ-XJKSGUPXSA-N 0 3 355.822 2.397 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217311 330231521 /nfs/dbraw/zinc/23/15/21/330231521.db2.gz LVXWBBMKWJGRME-OLMNPRSZSA-N 0 3 358.442 2.259 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000369332047 330240726 /nfs/dbraw/zinc/24/07/26/330240726.db2.gz SCOQBFAJACMODY-KSSFIOAISA-N 0 3 367.413 2.162 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)CN2CCCCC2)c1F ZINC000411385345 330256705 /nfs/dbraw/zinc/25/67/05/330256705.db2.gz KDSVYLUQGGCHAZ-LBPRGKRZSA-N 0 3 353.394 2.276 20 5 FEBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671022 545556073 /nfs/dbraw/zinc/55/60/73/545556073.db2.gz FRMQGGHWGLYKGV-OAHLLOKOSA-N 0 3 352.866 2.460 20 5 FEBDHN Cc1cnc(CCN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000157527875 545751304 /nfs/dbraw/zinc/75/13/04/545751304.db2.gz PVMDQNRPBURKJZ-CQSZACIVSA-N 0 3 351.428 2.274 20 5 FEBDHN CNc1c(C(=O)N2CCN(c3ccncc3OC)CC2)cccc1[N+](=O)[O-] ZINC000478445126 561167075 /nfs/dbraw/zinc/16/70/75/561167075.db2.gz HCXFXNYBXRAKKP-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000478463855 561167572 /nfs/dbraw/zinc/16/75/72/561167572.db2.gz PTWIUAFXLWUGLI-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN CC(C)(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160198646 546017066 /nfs/dbraw/zinc/01/70/66/546017066.db2.gz ZIFHHFWILYTBBI-OAHLLOKOSA-N 0 3 363.458 2.469 20 5 FEBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000161386543 546125891 /nfs/dbraw/zinc/12/58/91/546125891.db2.gz WKMXKZKNIRULEC-KRWDZBQOSA-N 0 3 374.416 2.435 20 5 FEBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000162734828 546141347 /nfs/dbraw/zinc/14/13/47/546141347.db2.gz PMCAVUOVOJCLJO-NXEZZACHSA-N 0 3 372.219 2.310 20 5 FEBDHN O=C1NC2(CCCC2)C(=O)N1CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000479600886 561193111 /nfs/dbraw/zinc/19/31/11/561193111.db2.gz MUVLFHFJGPPSJV-FNORWQNLSA-N 0 3 358.398 2.062 20 5 FEBDHN C[C@H](CN1CCOCC1)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176228763 546422219 /nfs/dbraw/zinc/42/22/19/546422219.db2.gz RBSQKFWKRBQXLU-QGZVFWFLSA-N 0 3 373.457 2.014 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177307829 546590596 /nfs/dbraw/zinc/59/05/96/546590596.db2.gz AKWBPHCXLBIMBP-HIFRSBDPSA-N 0 3 362.430 2.101 20 5 FEBDHN COc1cc(C)c([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000179619132 546986904 /nfs/dbraw/zinc/98/69/04/546986904.db2.gz XUMTYDGEGQTPEQ-CYBMUJFWSA-N 0 3 361.398 2.433 20 5 FEBDHN NC(=O)c1ccc(NCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000180046518 547042974 /nfs/dbraw/zinc/04/29/74/547042974.db2.gz OZRKGQXGMIEQIW-UHFFFAOYSA-N 0 3 355.398 2.417 20 5 FEBDHN Nc1c(C(=O)NCC2CCN(c3ccncc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000180295172 547080354 /nfs/dbraw/zinc/08/03/54/547080354.db2.gz CNMQCQGWPRJOTE-UHFFFAOYSA-N 0 3 373.388 2.358 20 5 FEBDHN CCN(CC)S(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482645618 561257489 /nfs/dbraw/zinc/25/74/89/561257489.db2.gz XEDBYJPFNXGASN-INIZCTEOSA-N 0 3 369.487 2.177 20 5 FEBDHN CN(CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000180899386 547205121 /nfs/dbraw/zinc/20/51/21/547205121.db2.gz UOWDTCIHXHWAPS-UHFFFAOYSA-N 0 3 357.366 2.185 20 5 FEBDHN CN1CCC(Oc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cn2)CC1 ZINC000181259005 547280975 /nfs/dbraw/zinc/28/09/75/547280975.db2.gz MCKHRLLUFMHGFP-UHFFFAOYSA-N 0 3 371.397 2.297 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367083 547480258 /nfs/dbraw/zinc/48/02/58/547480258.db2.gz SGWWRGLCQVPLET-XJKSGUPXSA-N 0 3 351.403 2.479 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000183573354 547683250 /nfs/dbraw/zinc/68/32/50/547683250.db2.gz HPLSUXYIBAPODK-HNNXBMFYSA-N 0 3 369.487 2.177 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184588700 547850405 /nfs/dbraw/zinc/85/04/05/547850405.db2.gz VTAOPZMHWGNWLL-OAHLLOKOSA-N 0 3 355.460 2.231 20 5 FEBDHN C[C@@H](C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158701 547943612 /nfs/dbraw/zinc/94/36/12/547943612.db2.gz KAPMFRAAHZZARG-HIFRSBDPSA-N 0 3 367.421 2.407 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000185344892 547973583 /nfs/dbraw/zinc/97/35/83/547973583.db2.gz RWFARACNUKXBQS-UHFFFAOYSA-N 0 3 373.450 2.441 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@H](C)CN2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000185440241 547985675 /nfs/dbraw/zinc/98/56/75/547985675.db2.gz ACAXRMYHNNERAJ-CYBMUJFWSA-N 0 3 363.414 2.376 20 5 FEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185599847 548007069 /nfs/dbraw/zinc/00/70/69/548007069.db2.gz VCSSGSADSCAMPF-LBPRGKRZSA-N 0 3 366.443 2.152 20 5 FEBDHN CC[C@@H](CO)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000186524422 548147810 /nfs/dbraw/zinc/14/78/10/548147810.db2.gz XZOKOUAFGBHOQJ-JTQLQIEISA-N 0 3 352.309 2.405 20 5 FEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186769656 548188637 /nfs/dbraw/zinc/18/86/37/548188637.db2.gz JHCUSAJITHJQKY-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN C[C@@H](C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194441667 548482582 /nfs/dbraw/zinc/48/25/82/548482582.db2.gz KRXOJSCJMOOAPP-AWEZNQCLSA-N 0 3 363.439 2.266 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000227537449 548752133 /nfs/dbraw/zinc/75/21/33/548752133.db2.gz HOXQGZRYBXRNLX-NXEZZACHSA-N 0 3 357.208 2.027 20 5 FEBDHN CN(C)CCn1cc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237004780 548793466 /nfs/dbraw/zinc/79/34/66/548793466.db2.gz LVYDIBONKXUKTK-UHFFFAOYSA-N 0 3 369.429 2.366 20 5 FEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000237935492 548866310 /nfs/dbraw/zinc/86/63/10/548866310.db2.gz KGMFUZBLELPDSU-ZDUSSCGKSA-N 0 3 361.851 2.434 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245869061 549006183 /nfs/dbraw/zinc/00/61/83/549006183.db2.gz GPWUFZHDHALEOS-HOCLYGCPSA-N 0 3 369.487 2.129 20 5 FEBDHN CCC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000245930627 549022260 /nfs/dbraw/zinc/02/22/60/549022260.db2.gz PFINSQCGGXGBSM-QZTJIDSGSA-N 0 3 351.447 2.061 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000246028500 549039052 /nfs/dbraw/zinc/03/90/52/549039052.db2.gz AAKBMMJSKXQFMR-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H](N)c1ccccc1 ZINC000246303426 549101136 /nfs/dbraw/zinc/10/11/36/549101136.db2.gz OEAXFBGBXYONFS-JCKWVBRZSA-N 0 3 369.425 2.339 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246693338 549189617 /nfs/dbraw/zinc/18/96/17/549189617.db2.gz YYQBTQJRTRWEFV-ZFWWWQNUSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1c(NC(=O)CCN2CCNC[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000261629628 549736414 /nfs/dbraw/zinc/73/64/14/549736414.db2.gz DTGOCKOBNORMET-GOSISDBHSA-N 0 3 369.425 2.273 20 5 FEBDHN NC(=O)c1ccc(CN2CCNC[C@H]2c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000262124579 549790673 /nfs/dbraw/zinc/79/06/73/549790673.db2.gz CJWBHYROQQHWKQ-KRWDZBQOSA-N 0 3 374.828 2.494 20 5 FEBDHN NC(=O)c1ccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269652853 550214182 /nfs/dbraw/zinc/21/41/82/550214182.db2.gz GYIOCPHRUBKEBH-SFHVURJKSA-N 0 3 355.394 2.392 20 5 FEBDHN CN(C)CCn1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270232799 550255382 /nfs/dbraw/zinc/25/53/82/550255382.db2.gz OBQGSWFNCDMHFT-UHFFFAOYSA-N 0 3 372.425 2.234 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000270835145 550312034 /nfs/dbraw/zinc/31/20/34/550312034.db2.gz DECCIQUXFMSZPW-UHFFFAOYSA-N 0 3 366.487 2.287 20 5 FEBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859339 550314874 /nfs/dbraw/zinc/31/48/74/550314874.db2.gz ZORJQXFFFDTDLJ-INIZCTEOSA-N 0 3 371.441 2.313 20 5 FEBDHN CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271114841 550341867 /nfs/dbraw/zinc/34/18/67/550341867.db2.gz QNRVDCCDFFKNIG-GHMZBOCLSA-N 0 3 361.265 2.234 20 5 FEBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486020 550452703 /nfs/dbraw/zinc/45/27/03/550452703.db2.gz RMEKRDNZRBGWET-UKRRQHHQSA-N 0 3 355.398 2.085 20 5 FEBDHN COc1cc(C(=O)N(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000274573782 550544668 /nfs/dbraw/zinc/54/46/68/550544668.db2.gz MWHGWMZQUMFZAN-UHFFFAOYSA-N 0 3 373.356 2.371 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274619859 550546526 /nfs/dbraw/zinc/54/65/26/550546526.db2.gz FLHIMOMFGNHXLF-HNNXBMFYSA-N 0 3 359.430 2.215 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000276692176 550586068 /nfs/dbraw/zinc/58/60/68/550586068.db2.gz MVMYGNMDAATDLU-UHFFFAOYSA-N 0 3 359.423 2.230 20 5 FEBDHN COC(=O)c1cc(NC(=O)NCC2=CCN(C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277249360 550647660 /nfs/dbraw/zinc/64/76/60/550647660.db2.gz PSLRBTFDOJLBPO-UHFFFAOYSA-N 0 3 362.386 2.073 20 5 FEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277490383 550677113 /nfs/dbraw/zinc/67/71/13/550677113.db2.gz NSZNMWAGBBOYDA-JGVFFNPUSA-N 0 3 360.183 2.319 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000277601503 550690177 /nfs/dbraw/zinc/69/01/77/550690177.db2.gz ORVVUGJBCNOGAU-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733776 550708013 /nfs/dbraw/zinc/70/80/13/550708013.db2.gz OHJFJZVUQFIQLR-STQMWFEESA-N 0 3 374.445 2.391 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000278513171 550794016 /nfs/dbraw/zinc/79/40/16/550794016.db2.gz PBCTYXOXVVRLJR-OAHLLOKOSA-N 0 3 361.442 2.239 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000495471499 561488634 /nfs/dbraw/zinc/48/86/34/561488634.db2.gz YJLVLJNERPWBDK-OIISXLGYSA-N 0 3 352.431 2.063 20 5 FEBDHN CN1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000281684908 551130427 /nfs/dbraw/zinc/13/04/27/551130427.db2.gz FPLFISINVJJSBD-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN COc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282965899 551290812 /nfs/dbraw/zinc/29/08/12/551290812.db2.gz YSCGHVIWLYOXFM-YOEHRIQHSA-N 0 3 350.415 2.261 20 5 FEBDHN CN1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801934 561509203 /nfs/dbraw/zinc/50/92/03/561509203.db2.gz DZUDCVXMJGIVTM-NVXWUHKLSA-N 0 3 365.393 2.299 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275298 551984084 /nfs/dbraw/zinc/98/40/84/551984084.db2.gz SMHOVQVXXRMKKK-GDBMZVCRSA-N 0 3 369.425 2.479 20 5 FEBDHN COC(=O)c1cc(NC(=O)N2CCN(C)CC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000499828964 561559453 /nfs/dbraw/zinc/55/94/53/561559453.db2.gz NNVBVNPYDXDEDT-LLVKDONJSA-N 0 3 364.402 2.248 20 5 FEBDHN CC[C@@H](O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289402012 552315393 /nfs/dbraw/zinc/31/53/93/552315393.db2.gz AKJOJDHBRUSWKL-GFCCVEGCSA-N 0 3 364.183 2.450 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCOC)CC1 ZINC000289855068 552389619 /nfs/dbraw/zinc/38/96/19/552389619.db2.gz QSDZGRGGRGRMRY-UHFFFAOYSA-N 0 3 350.419 2.390 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000289903489 552396917 /nfs/dbraw/zinc/39/69/17/552396917.db2.gz UQQHDYYGWHSPEC-UHFFFAOYSA-N 0 3 363.462 2.305 20 5 FEBDHN NC(=O)c1ccnc(NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000290578442 552501777 /nfs/dbraw/zinc/50/17/77/552501777.db2.gz VJVDFMDDAXBFNX-UHFFFAOYSA-N 0 3 369.425 2.208 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808868 552542051 /nfs/dbraw/zinc/54/20/51/552542051.db2.gz QXUROIIBLIMMFF-CJNGLKHVSA-N 0 3 369.425 2.411 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000291957230 552678635 /nfs/dbraw/zinc/67/86/35/552678635.db2.gz NWCWCIUWQUWQRY-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292703291 552750915 /nfs/dbraw/zinc/75/09/15/552750915.db2.gz DLVLENLVLZFJFO-INIZCTEOSA-N 0 3 371.434 2.149 20 5 FEBDHN COCCCN(C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292878658 552767883 /nfs/dbraw/zinc/76/78/83/552767883.db2.gz FCHDFYOCBPYKJR-UHFFFAOYSA-N 0 3 352.435 2.097 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000293970327 552871970 /nfs/dbraw/zinc/87/19/70/552871970.db2.gz UOPQTYVKYIPJGL-LJQANCHMSA-N 0 3 358.442 2.363 20 5 FEBDHN CN1CCN(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000296220518 553124697 /nfs/dbraw/zinc/12/46/97/553124697.db2.gz MSXKLSXJIWSCKZ-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000502740202 561624322 /nfs/dbraw/zinc/62/43/22/561624322.db2.gz UPGBNQQMSWAEEY-JKSUJKDBSA-N 0 3 358.398 2.011 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000297768943 553336688 /nfs/dbraw/zinc/33/66/88/553336688.db2.gz LWEMOEKDNCUAMO-BXUZGUMPSA-N 0 3 351.378 2.299 20 5 FEBDHN C[C@@H]1C[C@]1(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382531 561640325 /nfs/dbraw/zinc/64/03/25/561640325.db2.gz IMKPTDPHNKTRII-XFBWCDHKSA-N 0 3 350.806 2.331 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000503424072 561641056 /nfs/dbraw/zinc/64/10/56/561641056.db2.gz FJIBUMIEGSSMCU-CABCVRRESA-N 0 3 369.487 2.320 20 5 FEBDHN Cc1ccc(CN(CCN(C)C)C(=O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000504010865 561651918 /nfs/dbraw/zinc/65/19/18/561651918.db2.gz QBVGRKBFFSKXHO-UHFFFAOYSA-N 0 3 361.398 2.465 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000299536154 553577787 /nfs/dbraw/zinc/57/77/87/553577787.db2.gz SOCLWWRCJKBSAX-MRXNPFEDSA-N 0 3 359.430 2.217 20 5 FEBDHN CC(C)N1CCN(c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC000504207321 561654451 /nfs/dbraw/zinc/65/44/51/561654451.db2.gz GZRXGJNFPBNHMH-UHFFFAOYSA-N 0 3 372.429 2.111 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000299598344 553586638 /nfs/dbraw/zinc/58/66/38/553586638.db2.gz GXQOAURDDXIFQO-CQSZACIVSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000299730187 553608956 /nfs/dbraw/zinc/60/89/56/553608956.db2.gz WQYGJMGVWAPHSQ-UONOGXRCSA-N 0 3 362.430 2.091 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000300127803 553617453 /nfs/dbraw/zinc/61/74/53/553617453.db2.gz HOXQGZRYBXRNLX-UWVGGRQHSA-N 0 3 357.208 2.027 20 5 FEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301475832 553654156 /nfs/dbraw/zinc/65/41/56/553654156.db2.gz NXSHMVXPAQEBKG-AWEZNQCLSA-N 0 3 363.805 2.457 20 5 FEBDHN Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301960663 553694633 /nfs/dbraw/zinc/69/46/33/553694633.db2.gz MLDVETANRPFFOK-AWEZNQCLSA-N 0 3 366.849 2.475 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000312610996 553756375 /nfs/dbraw/zinc/75/63/75/553756375.db2.gz GTXJHRZHCOXKNT-OAHLLOKOSA-N 0 3 369.425 2.214 20 5 FEBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994083 561713439 /nfs/dbraw/zinc/71/34/39/561713439.db2.gz DWGSFDNSMFPAQV-TZMCWYRMSA-N 0 3 355.398 2.336 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000330422674 554119581 /nfs/dbraw/zinc/11/95/81/554119581.db2.gz SJEVUJKRSJKHGC-CQSZACIVSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000332075359 554374826 /nfs/dbraw/zinc/37/48/26/554374826.db2.gz FRDRMJHSQMRGEF-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253160 554410327 /nfs/dbraw/zinc/41/03/27/554410327.db2.gz MILHXGSESGUVKZ-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000332562100 554471857 /nfs/dbraw/zinc/47/18/57/554471857.db2.gz XEQUJCZWTKNXAR-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363272600 555068631 /nfs/dbraw/zinc/06/86/31/555068631.db2.gz GYRVDTDQPFSSGV-ZDUSSCGKSA-N 0 3 363.414 2.312 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1ccccc1[N+](=O)[O-] ZINC000363532948 555130491 /nfs/dbraw/zinc/13/04/91/555130491.db2.gz FVDCSKOFAMSDPK-UHFFFAOYSA-N 0 3 372.473 2.068 20 5 FEBDHN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1=CCN(C)CC1 ZINC000512129957 561893406 /nfs/dbraw/zinc/89/34/06/561893406.db2.gz XZBIORREKZPOOU-ZDUSSCGKSA-N 0 3 355.398 2.161 20 5 FEBDHN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1=CCN(C)CC1 ZINC000512142834 561893870 /nfs/dbraw/zinc/89/38/70/561893870.db2.gz OEXFLUOOVNGJON-CYBMUJFWSA-N 0 3 370.409 2.288 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427816 555312150 /nfs/dbraw/zinc/31/21/50/555312150.db2.gz SAVGPPMHWONYPW-XNRPHZJLSA-N 0 3 365.405 2.353 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653933 555364178 /nfs/dbraw/zinc/36/41/78/555364178.db2.gz WFPXIWUJQIKYEQ-BXUZGUMPSA-N 0 3 363.443 2.121 20 5 FEBDHN Cc1sc(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365207161 555511166 /nfs/dbraw/zinc/51/11/66/555511166.db2.gz KNUDSVLLHYSFSA-CQSZACIVSA-N 0 3 366.487 2.064 20 5 FEBDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000365834288 555678797 /nfs/dbraw/zinc/67/87/97/555678797.db2.gz GPTUWKDBPJOSBP-QGZVFWFLSA-N 0 3 363.462 2.294 20 5 FEBDHN C[C@H](C(=O)N1CCCN(CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366672666 555905067 /nfs/dbraw/zinc/90/50/67/555905067.db2.gz FBZQYCJSTZUNIV-ZDUSSCGKSA-N 0 3 367.421 2.143 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651925 556105566 /nfs/dbraw/zinc/10/55/66/556105566.db2.gz YDEAFMHIPPKOAK-WMLDXEAASA-N 0 3 369.425 2.479 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1ncccc1Cl ZINC000515415123 562009826 /nfs/dbraw/zinc/00/98/26/562009826.db2.gz QEBHAYXSFWICJC-GFCCVEGCSA-N 0 3 367.789 2.052 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1nnc2n1CCOC2 ZINC000368989721 556469052 /nfs/dbraw/zinc/46/90/52/556469052.db2.gz KDZUOBVZGZRALV-HIFRSBDPSA-N 0 3 357.414 2.218 20 5 FEBDHN COC(=O)c1ccccc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494849 556611295 /nfs/dbraw/zinc/61/12/95/556611295.db2.gz VEQVISNGQSULGK-UHFFFAOYSA-N 0 3 358.398 2.458 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c1[N+](=O)[O-] ZINC000370198404 556808173 /nfs/dbraw/zinc/80/81/73/556808173.db2.gz SDELRRWILXLKEA-INIZCTEOSA-N 0 3 371.441 2.074 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352411 556847711 /nfs/dbraw/zinc/84/77/11/556847711.db2.gz YSPKKLVLEFDESM-HUUCEWRRSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352411 556847714 /nfs/dbraw/zinc/84/77/14/556847714.db2.gz YSPKKLVLEFDESM-HUUCEWRRSA-N 0 3 360.414 2.246 20 5 FEBDHN CCCc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000371281769 557130031 /nfs/dbraw/zinc/13/00/31/557130031.db2.gz DOSOJFSDIJYJNN-FOLVSLTJSA-N 0 3 369.425 2.131 20 5 FEBDHN CC(C)c1nccn1C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284768 557131305 /nfs/dbraw/zinc/13/13/05/557131305.db2.gz UTMBYGBYNAOSHG-OAHLLOKOSA-N 0 3 359.430 2.241 20 5 FEBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336588 557151797 /nfs/dbraw/zinc/15/17/97/557151797.db2.gz RVHVUXYQHNIRAE-WBVHZDCISA-N 0 3 360.414 2.295 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000371963728 557341094 /nfs/dbraw/zinc/34/10/94/557341094.db2.gz XBWOCNGXKKAFCY-CYBMUJFWSA-N 0 3 353.854 2.248 20 5 FEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000372313761 557437030 /nfs/dbraw/zinc/43/70/30/557437030.db2.gz RVAIOAKWVQVNDY-RHSMWYFYSA-N 0 3 361.446 2.085 20 5 FEBDHN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000373528458 557711555 /nfs/dbraw/zinc/71/15/55/557711555.db2.gz IFAOFSAJJVJCCY-AWEZNQCLSA-N 0 3 350.438 2.334 20 5 FEBDHN CN1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](c2ccccc2)C1 ZINC000374315863 557864087 /nfs/dbraw/zinc/86/40/87/557864087.db2.gz ZTSHPEASARICOT-WBVHZDCISA-N 0 3 373.384 2.327 20 5 FEBDHN CN1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374319343 557864935 /nfs/dbraw/zinc/86/49/35/557864935.db2.gz XQBGOMLWAGOAKR-HZPDHXFCSA-N 0 3 355.394 2.188 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000374852602 557941228 /nfs/dbraw/zinc/94/12/28/557941228.db2.gz CQPRMLMXGVKMBP-GFCCVEGCSA-N 0 3 350.394 2.407 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010348 557963858 /nfs/dbraw/zinc/96/38/58/557963858.db2.gz APZYLWIHIHNSGP-XYJFISCASA-N 0 3 364.442 2.473 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375032743 557967344 /nfs/dbraw/zinc/96/73/44/557967344.db2.gz SVHYDYILPMEYNI-XHDPSFHLSA-N 0 3 352.822 2.213 20 5 FEBDHN COc1cc(OCC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000375825183 558085645 /nfs/dbraw/zinc/08/56/45/558085645.db2.gz OQXHFQIDDOXFGX-UONOGXRCSA-N 0 3 363.414 2.067 20 5 FEBDHN COc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000521870723 562185285 /nfs/dbraw/zinc/18/52/85/562185285.db2.gz JHNDMHJSTDMEIK-KRWDZBQOSA-N 0 3 370.409 2.371 20 5 FEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C[C@H]2CCCCN2C)CC1 ZINC000377149216 558276580 /nfs/dbraw/zinc/27/65/80/558276580.db2.gz KMYOJVLHWIRRDU-QGZVFWFLSA-N 0 3 360.458 2.404 20 5 FEBDHN COc1ccc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945429 562238033 /nfs/dbraw/zinc/23/80/33/562238033.db2.gz VJJZRYWSAUYPJK-FQEVSTJZSA-N 0 3 371.437 2.330 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105000 562240610 /nfs/dbraw/zinc/24/06/10/562240610.db2.gz VCHAPVNQXXSJQC-NWDGAFQWSA-N 0 3 351.403 2.215 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000525324532 562246102 /nfs/dbraw/zinc/24/61/02/562246102.db2.gz PKVLPQKFVHZVPZ-CQSZACIVSA-N 0 3 361.446 2.241 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411317743 558875429 /nfs/dbraw/zinc/87/54/29/558875429.db2.gz PDBWZGFXSCDUDD-XJKSGUPXSA-N 0 3 363.414 2.433 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCCCCC2)c1F ZINC000411397234 558887447 /nfs/dbraw/zinc/88/74/47/558887447.db2.gz YQEXUWCJPFZHFI-UHFFFAOYSA-N 0 3 353.394 2.277 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000411484172 558902637 /nfs/dbraw/zinc/90/26/37/558902637.db2.gz OPWNPXOJFVQLIJ-HNNXBMFYSA-N 0 3 362.430 2.078 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000411715109 558949572 /nfs/dbraw/zinc/94/95/72/558949572.db2.gz AXHVMRXMTCJFTN-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412026499 559003638 /nfs/dbraw/zinc/00/36/38/559003638.db2.gz SPXRJXXGGFCVOY-LBPRGKRZSA-N 0 3 351.403 2.479 20 5 FEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000413939915 559141837 /nfs/dbraw/zinc/14/18/37/559141837.db2.gz QPVIHYROEQGAPN-UHFFFAOYSA-N 0 3 374.397 2.378 20 5 FEBDHN NC[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000415425629 559234952 /nfs/dbraw/zinc/23/49/52/559234952.db2.gz LJRVZPASJCYGIM-CQSZACIVSA-N 0 3 368.821 2.211 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415851849 559278710 /nfs/dbraw/zinc/27/87/10/559278710.db2.gz ZOXYMMNFGNBVNS-MRXNPFEDSA-N 0 3 370.409 2.220 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000416665349 559328463 /nfs/dbraw/zinc/32/84/63/559328463.db2.gz UXCROTNSTCGUTE-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325277 559357812 /nfs/dbraw/zinc/35/78/12/559357812.db2.gz BOZOPNGKBYDCFK-XJKSGUPXSA-N 0 3 355.460 2.280 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418559607 559406128 /nfs/dbraw/zinc/40/61/28/559406128.db2.gz VTHXFQAUGDRDRT-UHFFFAOYSA-N 0 3 352.394 2.466 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000420044914 559469982 /nfs/dbraw/zinc/46/99/82/559469982.db2.gz QGBOSSLHSNAJOA-MRXNPFEDSA-N 0 3 351.428 2.242 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420391301 559484950 /nfs/dbraw/zinc/48/49/50/559484950.db2.gz RXUDIGSSWQPCHE-PZPSRYQVSA-N 0 3 372.400 2.488 20 5 FEBDHN CC(C)CCSc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423986199 559649108 /nfs/dbraw/zinc/64/91/08/559649108.db2.gz FINMYNWTFOSVOA-CQSZACIVSA-N 0 3 367.471 2.451 20 5 FEBDHN CC(C)c1ccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000424021004 559651487 /nfs/dbraw/zinc/65/14/87/559651487.db2.gz SVKRMQSFMCTXFF-HNNXBMFYSA-N 0 3 372.429 2.246 20 5 FEBDHN Cn1cc([C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]2N)cn1 ZINC000424222197 559658418 /nfs/dbraw/zinc/65/84/18/559658418.db2.gz DBWJFGNDTYNLEW-UONOGXRCSA-N 0 3 371.422 2.110 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425049251 559685204 /nfs/dbraw/zinc/68/52/04/559685204.db2.gz PKMKZZKUHWPYBV-MAUKXSAKSA-N 0 3 358.442 2.361 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429236831 559793468 /nfs/dbraw/zinc/79/34/68/559793468.db2.gz MSGQXQOUHDULMK-AAEUAGOBSA-N 0 3 371.393 2.393 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000436717337 559949877 /nfs/dbraw/zinc/94/98/77/559949877.db2.gz BSCJCLQWYWNFQB-MRXNPFEDSA-N 0 3 371.441 2.399 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000440074571 560004166 /nfs/dbraw/zinc/00/41/66/560004166.db2.gz HBPITQOFEWPZIA-KRWDZBQOSA-N 0 3 371.503 2.423 20 5 FEBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231677 /nfs/dbraw/zinc/23/16/77/560231677.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 0 3 374.485 2.361 20 5 FEBDHN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449956782 560246370 /nfs/dbraw/zinc/24/63/70/560246370.db2.gz AXKDMDSGLSLUTB-KRWDZBQOSA-N 0 3 357.414 2.397 20 5 FEBDHN Cc1cc(NC[C@H]2CCCCN2CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450617505 560268122 /nfs/dbraw/zinc/26/81/22/560268122.db2.gz RDBTZDZSCOYJDN-QGZVFWFLSA-N 0 3 371.441 2.041 20 5 FEBDHN O=C1[C@H](N[C@H]([C@@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606513 560317133 /nfs/dbraw/zinc/31/71/33/560317133.db2.gz LSCFIZFZICQXPT-KSZLIROESA-N 0 3 359.426 2.087 20 5 FEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451773581 560327821 /nfs/dbraw/zinc/32/78/21/560327821.db2.gz CTHCTCBKWYPVOO-PMPSAXMXSA-N 0 3 361.398 2.022 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)CN2CCCC2)c1 ZINC000452082962 560350027 /nfs/dbraw/zinc/35/00/27/560350027.db2.gz KXRQGUNIFCRNIS-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCOc1ccc(NC(=O)CNC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000452096146 560350838 /nfs/dbraw/zinc/35/08/38/560350838.db2.gz NAZBYNBRBOKAKT-UHFFFAOYSA-N 0 3 364.446 2.396 20 5 FEBDHN CC(C)(C)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452785124 560374014 /nfs/dbraw/zinc/37/40/14/560374014.db2.gz QPBNUFRQWBDBDR-OAHLLOKOSA-N 0 3 363.458 2.469 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000453038635 560381972 /nfs/dbraw/zinc/38/19/72/560381972.db2.gz QCQQKJCZJWKJIG-DOMZBBRYSA-N 0 3 358.423 2.494 20 5 FEBDHN CC[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453151160 560383925 /nfs/dbraw/zinc/38/39/25/560383925.db2.gz VPNBPANHPFDROQ-AWEZNQCLSA-N 0 3 364.427 2.009 20 5 FEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457055549 560546209 /nfs/dbraw/zinc/54/62/09/560546209.db2.gz SCLNVLYZPSFRDH-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092914 560548412 /nfs/dbraw/zinc/54/84/12/560548412.db2.gz XNUPLNDJKRCZFU-OAHLLOKOSA-N 0 3 363.414 2.326 20 5 FEBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466017120 560878038 /nfs/dbraw/zinc/87/80/38/560878038.db2.gz CMLIKXCSJCJPEW-AWEZNQCLSA-N 0 3 374.441 2.384 20 5 FEBDHN Cc1sc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000467068650 560902826 /nfs/dbraw/zinc/90/28/26/560902826.db2.gz MCDMDFPAEIPTKB-JTQLQIEISA-N 0 3 361.489 2.316 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000469163427 560948796 /nfs/dbraw/zinc/94/87/96/560948796.db2.gz IEHCNACNZXFLCH-STQMWFEESA-N 0 3 371.459 2.097 20 5 FEBDHN CCN1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)CC1 ZINC000471645918 561009581 /nfs/dbraw/zinc/00/95/81/561009581.db2.gz JUBAVYVDOKYQFY-UHFFFAOYSA-N 0 3 357.414 2.328 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](CO)c1ccsc1 ZINC000473163816 561043096 /nfs/dbraw/zinc/04/30/96/561043096.db2.gz JQKASEJFAUPETA-CYBMUJFWSA-N 0 3 363.395 2.278 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475706399 561102795 /nfs/dbraw/zinc/10/27/95/561102795.db2.gz PBWDYBPYVHMAGH-GJZGRUSLSA-N 0 3 364.398 2.148 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722716 561103381 /nfs/dbraw/zinc/10/33/81/561103381.db2.gz STDDJWULRFRNRM-CABCVRRESA-N 0 3 364.398 2.005 20 5 FEBDHN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCc2ccccc2C1 ZINC000476377828 561117909 /nfs/dbraw/zinc/11/79/09/561117909.db2.gz XDFIPCKELYLGEO-QGZVFWFLSA-N 0 3 371.441 2.141 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000476634028 561124961 /nfs/dbraw/zinc/12/49/61/561124961.db2.gz RPUVNLUZULIWGO-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN CNc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000530619544 562418010 /nfs/dbraw/zinc/41/80/10/562418010.db2.gz GVTAHMXCACUPSJ-UHFFFAOYSA-N 0 3 364.446 2.256 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000532376814 562475714 /nfs/dbraw/zinc/47/57/14/562475714.db2.gz QQDCMWDQIJISFK-UHFFFAOYSA-N 0 3 369.468 2.341 20 5 FEBDHN COC(=O)c1cc(N2C[C@H](SC)[C@@H](N(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000536995809 562583862 /nfs/dbraw/zinc/58/38/62/562583862.db2.gz KVIUYMTZYPRQAD-KBPBESRZSA-N 0 3 353.444 2.172 20 5 FEBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908373 562623019 /nfs/dbraw/zinc/62/30/19/562623019.db2.gz KXWWCQZXWRPBBX-UKRRQHHQSA-N 0 3 355.398 2.369 20 5 FEBDHN CCN1C[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602714309 568019729 /nfs/dbraw/zinc/01/97/29/568019729.db2.gz ZDHOWFNCTSFMNV-MRVPVSSYSA-N 0 3 362.249 2.377 20 5 FEBDHN CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000888 606224587 /nfs/dbraw/zinc/22/45/87/606224587.db2.gz KXJSUPHBZCBIBA-TZMCWYRMSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000888 606224589 /nfs/dbraw/zinc/22/45/89/606224589.db2.gz KXJSUPHBZCBIBA-TZMCWYRMSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000888 606224590 /nfs/dbraw/zinc/22/45/90/606224590.db2.gz KXJSUPHBZCBIBA-TZMCWYRMSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000888 606224592 /nfs/dbraw/zinc/22/45/92/606224592.db2.gz KXJSUPHBZCBIBA-TZMCWYRMSA-N 0 3 357.418 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823640128 607037685 /nfs/dbraw/zinc/03/76/85/607037685.db2.gz UPVQXNSYPDCQDW-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823640128 607037686 /nfs/dbraw/zinc/03/76/86/607037686.db2.gz UPVQXNSYPDCQDW-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN CCc1ccccc1-n1cnnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102629 674719657 /nfs/dbraw/zinc/71/96/57/674719657.db2.gz UCWDTZOPGVWGJD-LLVKDONJSA-N 0 3 350.400 2.130 20 5 FEBDHN COc1ccc(-c2nnc(SCC(=O)OCC(C)[N+](=O)[O-])o2)cc1 ZINC000813101600 674719184 /nfs/dbraw/zinc/71/91/84/674719184.db2.gz DXELNKDVDBDARO-VIFPVBQESA-N 0 3 353.356 2.046 20 5 FEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 ZINC000813103356 674719422 /nfs/dbraw/zinc/71/94/22/674719422.db2.gz PBKMGUNTKKHILB-VIFPVBQESA-N 0 3 365.411 2.315 20 5 FEBDHN Cc1cc(=O)c(C(=O)OCC(C)[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000813112899 674721115 /nfs/dbraw/zinc/72/11/15/674721115.db2.gz VZVCWLIMLQZNII-SNVBAGLBSA-N 0 3 351.746 2.016 20 5 FEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[N+](=O)[O-] ZINC000813105257 674719921 /nfs/dbraw/zinc/71/99/21/674719921.db2.gz LEWWBSPFRJVHFG-UWVGGRQHSA-N 0 3 371.187 2.010 20 5 FEBDHN CC(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[N+](=O)[O-] ZINC000813109558 674720537 /nfs/dbraw/zinc/72/05/37/674720537.db2.gz LNSQWFOHWFOKPG-JTQLQIEISA-N 0 3 356.325 2.025 20 5 FEBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Br)cc1 ZINC000813111653 674721012 /nfs/dbraw/zinc/72/10/12/674721012.db2.gz JYRZNVRCTZMPII-RNCFNFMXSA-N 0 3 373.203 2.225 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000041669604 670148878 /nfs/dbraw/zinc/14/88/78/670148878.db2.gz DWMVUEFQLPSSJR-LLVKDONJSA-N 0 3 368.821 2.035 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000041669611 670149154 /nfs/dbraw/zinc/14/91/54/670149154.db2.gz DWMVUEFQLPSSJR-NSHDSACASA-N 0 3 368.821 2.035 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047144432 670235108 /nfs/dbraw/zinc/23/51/08/670235108.db2.gz NGSKSFLKVOKSRF-NSHDSACASA-N 0 3 350.375 2.416 20 5 FEBDHN COC1([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000817297858 675119067 /nfs/dbraw/zinc/11/90/67/675119067.db2.gz WNWLKHLEUKBAGB-LLVKDONJSA-N 0 3 371.821 2.360 20 5 FEBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817491343 675138633 /nfs/dbraw/zinc/13/86/33/675138633.db2.gz OJIJFXHKZWBSBL-LBPRGKRZSA-N 0 3 350.375 2.286 20 5 FEBDHN COc1ncc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000578350514 671658807 /nfs/dbraw/zinc/65/88/07/671658807.db2.gz PMENMYRUAJCWKL-ZDUSSCGKSA-N 0 3 367.789 2.181 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000610135417 675956390 /nfs/dbraw/zinc/95/63/90/675956390.db2.gz RPNIGPWYNYLVOO-KBPBESRZSA-N 0 3 355.460 2.397 20 5 FEBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000610447915 675972306 /nfs/dbraw/zinc/97/23/06/675972306.db2.gz PXYHEHIAEZQUKS-AWEZNQCLSA-N 0 3 358.320 2.307 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139101178 672145550 /nfs/dbraw/zinc/14/55/50/672145550.db2.gz GDIGFECXTQHICT-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172178777 672340087 /nfs/dbraw/zinc/34/00/87/672340087.db2.gz BBCYRXJAKUWZEL-UHFFFAOYSA-N 0 3 368.865 2.234 20 5 FEBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204939 676024550 /nfs/dbraw/zinc/02/45/50/676024550.db2.gz BUCLDBPVDICVHY-STQMWFEESA-N 0 3 351.403 2.289 20 5 FEBDHN COC(=O)CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611260673 676028686 /nfs/dbraw/zinc/02/86/86/676028686.db2.gz QHJFWFOTHXLVFL-UHFFFAOYSA-N 0 3 352.387 2.387 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590043742 672555407 /nfs/dbraw/zinc/55/54/07/672555407.db2.gz FLFNMYFYBYJWPG-DOMZBBRYSA-N 0 3 358.423 2.494 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590445077 672583367 /nfs/dbraw/zinc/58/33/67/672583367.db2.gz QEBYRVMGRWEFPW-IUODEOHRSA-N 0 3 365.455 2.109 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590444957 672583643 /nfs/dbraw/zinc/58/36/43/672583643.db2.gz OLQDDGVOEWUURK-TVQRCGJNSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591984338 672729185 /nfs/dbraw/zinc/72/91/85/672729185.db2.gz FANXFGBWFFNFEV-JTQLQIEISA-N 0 3 360.336 2.170 20 5 FEBDHN Cc1ccc(C)c(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000195250039 672780172 /nfs/dbraw/zinc/78/01/72/672780172.db2.gz CYJNPJVVAUMOED-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1 ZINC000592543785 672812831 /nfs/dbraw/zinc/81/28/31/672812831.db2.gz JRCRWOPQIMXINL-CQSZACIVSA-N 0 3 370.247 2.356 20 5 FEBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066560 672871257 /nfs/dbraw/zinc/87/12/57/672871257.db2.gz NOYJIQAJPJWYMC-WBMJQRKESA-N 0 3 364.833 2.467 20 5 FEBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000725821456 673092512 /nfs/dbraw/zinc/09/25/12/673092512.db2.gz CIHLCZLFBCAIIN-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN(Cc4cccs4)CC3)nn21 ZINC000367215347 673146580 /nfs/dbraw/zinc/14/65/80/673146580.db2.gz FDTZJYMDJUIOIC-UHFFFAOYSA-N 0 3 358.427 2.776 20 5 FEBDHN C[C@H](CSCCF)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595034506 673188107 /nfs/dbraw/zinc/18/81/07/673188107.db2.gz WHUHAZAEOZVFMV-LLVKDONJSA-N 0 3 350.437 2.049 20 5 FEBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595119940 673197250 /nfs/dbraw/zinc/19/72/50/673197250.db2.gz BHMNEVMUQGLOLI-LLVKDONJSA-N 0 3 369.365 2.265 20 5 FEBDHN N[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1F ZINC000595274113 673215935 /nfs/dbraw/zinc/21/59/35/673215935.db2.gz OBFVXHZNWNFCCC-VXGBXAGGSA-N 0 3 364.299 2.194 20 5 FEBDHN CCOc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000537924060 673414111 /nfs/dbraw/zinc/41/41/11/673414111.db2.gz MHBAFIVCLRMHQQ-UKRRQHHQSA-N 0 3 353.444 2.111 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599071959 673631295 /nfs/dbraw/zinc/63/12/95/673631295.db2.gz CTUZFCGHDYAGDA-GVDBMIGSSA-N 0 3 367.471 2.422 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000543673259 673660619 /nfs/dbraw/zinc/66/06/19/673660619.db2.gz MLWCEKATLYFQAF-JSGCOSHPSA-N 0 3 355.460 2.172 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000546731645 673814023 /nfs/dbraw/zinc/81/40/23/673814023.db2.gz VZEMGNDBWIVBMN-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601125906 673827460 /nfs/dbraw/zinc/82/74/60/673827460.db2.gz RWEYWUUNHVXCHM-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000601292130 673838793 /nfs/dbraw/zinc/83/87/93/673838793.db2.gz SIRSWAWKNLVJKO-CHWSQXEVSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601403787 673856580 /nfs/dbraw/zinc/85/65/80/673856580.db2.gz ADOWIJJYNRLNJY-UHFFFAOYSA-N 0 3 359.473 2.117 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601469239 673867607 /nfs/dbraw/zinc/86/76/07/673867607.db2.gz NPMCLFIHIJCECS-UHFFFAOYSA-N 0 3 373.500 2.365 20 5 FEBDHN C[C@@H]1OCC[C@@]1(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638923 673908928 /nfs/dbraw/zinc/90/89/28/673908928.db2.gz HMJRUFPFBJKXFR-WRWORJQWSA-N 0 3 351.222 2.048 20 5 FEBDHN O=[N+]([O-])c1sc(CNCC[C@@]2(O)CCCOC2)cc1Br ZINC000602707118 673910099 /nfs/dbraw/zinc/91/00/99/673910099.db2.gz SWGVTFPERFLFDI-LBPRGKRZSA-N 0 3 365.249 2.440 20 5 FEBDHN CCN1C[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602714310 673910139 /nfs/dbraw/zinc/91/01/39/673910139.db2.gz ZDHOWFNCTSFMNV-QMMMGPOBSA-N 0 3 362.249 2.377 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000604505413 675805733 /nfs/dbraw/zinc/80/57/33/675805733.db2.gz ZGHAHPYHRIGYGG-CMPLNLGQSA-N 0 3 353.806 2.368 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619486217 676380345 /nfs/dbraw/zinc/38/03/45/676380345.db2.gz ZJAQNNQNPCQSQZ-STQMWFEESA-N 0 3 371.459 2.097 20 5 FEBDHN CN1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839715273 680774019 /nfs/dbraw/zinc/77/40/19/680774019.db2.gz CMRPXGYYGDHIFQ-RBDSIQFVSA-N 0 3 355.797 2.253 20 5 FEBDHN C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827623 680273808 /nfs/dbraw/zinc/27/38/08/680273808.db2.gz KPXAPFMSLVKQCO-DGCLKSJQSA-N 0 3 361.423 2.399 20 5 FEBDHN O=C(OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842304767 680937672 /nfs/dbraw/zinc/93/76/72/680937672.db2.gz LIXNATPRCDRXOF-DJSGYFEHSA-N 0 3 354.353 2.385 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000845768382 681151217 /nfs/dbraw/zinc/15/12/17/681151217.db2.gz MUXDJQCOHGMLFL-UHFFFAOYSA-N 0 3 352.391 2.226 20 5 FEBDHN CC([C@@H](OC(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845879315 681158751 /nfs/dbraw/zinc/15/87/51/681158751.db2.gz IOSNIFSCSGMAOI-XHBSWPGZSA-N 0 3 373.402 2.290 20 5 FEBDHN Cc1nnc(COCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883349 681159228 /nfs/dbraw/zinc/15/92/28/681159228.db2.gz SMNVDVPRLHPNGU-BJOHPYRUSA-N 0 3 369.374 2.452 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000846615288 681268272 /nfs/dbraw/zinc/26/82/72/681268272.db2.gz ZLARHVQSZXPTNM-UHFFFAOYSA-N 0 3 352.410 2.358 20 5 FEBDHN Nc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000854496108 682558600 /nfs/dbraw/zinc/55/86/00/682558600.db2.gz DWPYFVPXVGLVFE-ZJUUUORDSA-N 0 3 363.292 2.100 20 5 FEBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000929212165 683562926 /nfs/dbraw/zinc/56/29/26/683562926.db2.gz NWNONXWUBPYVDR-KGLIPLIRSA-N 0 3 368.821 2.311 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCNCCC2(C)C)cc1[N+](=O)[O-] ZINC000866804488 684156399 /nfs/dbraw/zinc/15/63/99/684156399.db2.gz YEIADXQGMRFQFQ-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308593 684244262 /nfs/dbraw/zinc/24/42/62/684244262.db2.gz KTYMABSTNUIMLH-KWQFWETISA-N 0 3 365.814 2.100 20 5 FEBDHN COC(=O)C[C@](C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000877707399 686441722 /nfs/dbraw/zinc/44/17/22/686441722.db2.gz RWLVVUIQXWUYPA-KRWDZBQOSA-N 0 3 350.371 2.283 20 5 FEBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133975 687004130 /nfs/dbraw/zinc/00/41/30/687004130.db2.gz KJQFZGRDYTWYHA-KGLIPLIRSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000881784898 687215087 /nfs/dbraw/zinc/21/50/87/687215087.db2.gz QDBCCONFZCNNQQ-LLVKDONJSA-N 0 3 373.862 2.319 20 5 FEBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882769298 687480691 /nfs/dbraw/zinc/48/06/91/687480691.db2.gz PVJKRVVTOSSSKA-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1C ZINC000882769370 687481633 /nfs/dbraw/zinc/48/16/33/687481633.db2.gz STCPOKHINKDIHH-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCNCCC23CCC3)c(C)c1[N+](=O)[O-] ZINC000883479370 687643289 /nfs/dbraw/zinc/64/32/89/687643289.db2.gz VZFZRIMGHUYGCN-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN CN1CCN(CC2CN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])C2)CC1 ZINC000884547461 687889052 /nfs/dbraw/zinc/88/90/52/687889052.db2.gz MCGMFXVIEDUOCD-UHFFFAOYSA-N 0 3 358.364 2.297 20 5 FEBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC000896526368 689885249 /nfs/dbraw/zinc/88/52/49/689885249.db2.gz WKFVSCZWDROEMS-SNVBAGLBSA-N 0 3 363.340 2.012 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC000897218243 689989608 /nfs/dbraw/zinc/98/96/08/689989608.db2.gz BPFFYISQCWYHAQ-OLZOCXBDSA-N 0 3 360.336 2.044 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000902980865 690826773 /nfs/dbraw/zinc/82/67/73/690826773.db2.gz VNMQYEHJUWBEFT-ZDUSSCGKSA-N 0 3 352.366 2.109 20 5 FEBDHN CCN1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000011527076 539529579 /nfs/dbraw/zinc/52/95/79/539529579.db2.gz RFOAFWVRYGOYTM-UHFFFAOYSA-N 0 3 360.458 2.412 20 5 FEBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(OC)c1 ZINC000076267501 542252065 /nfs/dbraw/zinc/25/20/65/542252065.db2.gz MPILJTWLBXKRDJ-AWEZNQCLSA-N 0 3 360.418 2.471 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000041651455 540029143 /nfs/dbraw/zinc/02/91/43/540029143.db2.gz RVGUJJVWMJRMLO-JSGCOSHPSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000041651437 540029447 /nfs/dbraw/zinc/02/94/47/540029447.db2.gz JUHDRTIKAOMDCG-GXTWGEPZSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(CN(C)C)c1 ZINC000046811714 540271852 /nfs/dbraw/zinc/27/18/52/540271852.db2.gz AYEQQTWRVZAKJJ-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057702321 540808914 /nfs/dbraw/zinc/80/89/14/540808914.db2.gz JDCAANZHENSNLX-GFCCVEGCSA-N 0 3 357.414 2.208 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000057713891 540810477 /nfs/dbraw/zinc/81/04/77/540810477.db2.gz GZKNPMOORPRTFD-SECBINFHSA-N 0 3 373.356 2.417 20 5 FEBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000058231037 540835111 /nfs/dbraw/zinc/83/51/11/540835111.db2.gz XKOBTQQEWQWGMW-ZIAGYGMSSA-N 0 3 372.429 2.168 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068211438 541563522 /nfs/dbraw/zinc/56/35/22/541563522.db2.gz PSTNWNBKTWHFDM-GRYCIOLGSA-N 0 3 352.410 2.412 20 5 FEBDHN COc1cc(OCC(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000068855958 541635176 /nfs/dbraw/zinc/63/51/76/541635176.db2.gz BAMNKXYGVSMTER-UHFFFAOYSA-N 0 3 373.409 2.360 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000068882739 541636445 /nfs/dbraw/zinc/63/64/45/541636445.db2.gz SSHMNGJFSKTKKS-AWEZNQCLSA-N 0 3 353.444 2.152 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000068902907 541639558 /nfs/dbraw/zinc/63/95/58/541639558.db2.gz VFYULEMGHGUTMO-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CN1CCN(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000073002445 541907257 /nfs/dbraw/zinc/90/72/57/541907257.db2.gz ZUWOLTNRQMVREC-UHFFFAOYSA-N 0 3 362.455 2.177 20 5 FEBDHN C[C@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000075749165 542202906 /nfs/dbraw/zinc/20/29/06/542202906.db2.gz AIUQNMWDVLXJOP-XOKHGSTOSA-N 0 3 362.455 2.331 20 5 FEBDHN CCO[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403921 542275246 /nfs/dbraw/zinc/27/52/46/542275246.db2.gz MGTZWUPXPFPDLP-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN CC1CCN(C[C@H](O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000077005921 542342440 /nfs/dbraw/zinc/34/24/40/542342440.db2.gz JIFMDNUVOFTTOI-OAHLLOKOSA-N 0 3 355.822 2.071 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 ZINC000078262987 542450980 /nfs/dbraw/zinc/45/09/80/542450980.db2.gz OBBSLJWOCVDGNQ-CQSZACIVSA-N 0 3 370.400 2.412 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000078643751 542473783 /nfs/dbraw/zinc/47/37/83/542473783.db2.gz KRFMTLMPMKOOFY-UHFFFAOYSA-N 0 3 355.460 2.120 20 5 FEBDHN CN(C)CCn1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000079817434 542543135 /nfs/dbraw/zinc/54/31/35/542543135.db2.gz DDQKJZJZHCMWPI-UHFFFAOYSA-N 0 3 360.418 2.410 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)cc1SC ZINC000103115930 543092597 /nfs/dbraw/zinc/09/25/97/543092597.db2.gz LAFBIVGTPVDUHR-UHFFFAOYSA-N 0 3 353.444 2.493 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891518 543252984 /nfs/dbraw/zinc/25/29/84/543252984.db2.gz CBBYUTQGTYXSDQ-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000107685896 543275778 /nfs/dbraw/zinc/27/57/78/543275778.db2.gz RHASDFGCEBRTAG-UHFFFAOYSA-N 0 3 361.442 2.145 20 5 FEBDHN CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)N(C)C ZINC000109103576 543313997 /nfs/dbraw/zinc/31/39/97/543313997.db2.gz DPBJBJDOVLKPII-UHFFFAOYSA-N 0 3 350.419 2.032 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000110994976 543378221 /nfs/dbraw/zinc/37/82/21/543378221.db2.gz SKPOIKNLLYFRCO-INIZCTEOSA-N 0 3 372.429 2.088 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](N2CCCC2=O)C1 ZINC000111292372 543393002 /nfs/dbraw/zinc/39/30/02/543393002.db2.gz WINOFJAFWBJZCI-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112922020 543468459 /nfs/dbraw/zinc/46/84/59/543468459.db2.gz CLPAVSMEAGEFQL-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1cc(C)cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922643 543619923 /nfs/dbraw/zinc/61/99/23/543619923.db2.gz LCQVXSVIXVHDFE-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121782516 543699353 /nfs/dbraw/zinc/69/93/53/543699353.db2.gz PTIVIUYQKXQMCI-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000123791378 543783490 /nfs/dbraw/zinc/78/34/90/543783490.db2.gz LRASCVSPZHMPLA-GDBMZVCRSA-N 0 3 371.441 2.453 20 5 FEBDHN Cn1cc(CN2CCC3(CC2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126056634 543915735 /nfs/dbraw/zinc/91/57/35/543915735.db2.gz ZDXALXSVZWNSGV-UHFFFAOYSA-N 0 3 358.398 2.334 20 5 FEBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833242 544166873 /nfs/dbraw/zinc/16/68/73/544166873.db2.gz URFCIHIFEJOWQN-WDEREUQCSA-N 0 3 373.356 2.339 20 5 FEBDHN CCC(=O)N1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000134512860 544311017 /nfs/dbraw/zinc/31/10/17/544311017.db2.gz GKKSFRYCMWTDLL-OAHLLOKOSA-N 0 3 357.414 2.096 20 5 FEBDHN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452957 544347361 /nfs/dbraw/zinc/34/73/61/544347361.db2.gz WIDZTIIFAUBGKF-CVEARBPZSA-N 0 3 358.398 2.070 20 5 FEBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CN1CCN(C)CC1 ZINC000139814014 544405273 /nfs/dbraw/zinc/40/52/73/544405273.db2.gz YMLFFSUCVWQBII-LBPRGKRZSA-N 0 3 369.853 2.253 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137064828 544383896 /nfs/dbraw/zinc/38/38/96/544383896.db2.gz MLLVTUOJBVSUPN-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151605190 544561235 /nfs/dbraw/zinc/56/12/35/544561235.db2.gz UEYQPSMEDNTOPT-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@H](CN1CCCCC1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000151897279 544593645 /nfs/dbraw/zinc/59/36/45/544593645.db2.gz ZBSGOLFCDJQBEH-CYBMUJFWSA-N 0 3 370.475 2.131 20 5 FEBDHN Cc1ccc(CN2CCC(CNC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)cc1 ZINC000153343198 544763569 /nfs/dbraw/zinc/76/35/69/544763569.db2.gz SATPZZQQOHZLND-UHFFFAOYSA-N 0 3 357.414 2.268 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153615787 544798456 /nfs/dbraw/zinc/79/84/56/544798456.db2.gz LGNMSZVURGRBCK-HUUCEWRRSA-N 0 3 350.463 2.280 20 5 FEBDHN C[C@@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979171 327619570 /nfs/dbraw/zinc/61/95/70/327619570.db2.gz VVTPSQYFNIDWQL-YGRLFVJLSA-N 0 3 361.851 2.434 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181028314 327713178 /nfs/dbraw/zinc/71/31/78/327713178.db2.gz OXBGKUXPAUAYNW-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181834796 327748708 /nfs/dbraw/zinc/74/87/08/327748708.db2.gz FHELTKHWEKKIEV-QGZVFWFLSA-N 0 3 373.409 2.429 20 5 FEBDHN CN(C)C1(CN(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000189129472 328130216 /nfs/dbraw/zinc/13/02/16/328130216.db2.gz UNQONJYSOQIDLZ-UHFFFAOYSA-N 0 3 361.851 2.353 20 5 FEBDHN CN1C(=O)C[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000192155083 328303402 /nfs/dbraw/zinc/30/34/02/328303402.db2.gz GSLIUDXVZLZIMB-HOCLYGCPSA-N 0 3 363.805 2.006 20 5 FEBDHN CC(C)[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940056 328347915 /nfs/dbraw/zinc/34/79/15/328347915.db2.gz TVZCCSLCIPYFNQ-MSOLQXFVSA-N 0 3 361.442 2.445 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195152904 328458406 /nfs/dbraw/zinc/45/84/06/328458406.db2.gz PCNZFQHKCSSOQZ-UHFFFAOYSA-N 0 3 365.821 2.035 20 5 FEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078351263 325043274 /nfs/dbraw/zinc/04/32/74/325043274.db2.gz FTBGEOWSNXVDCZ-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCN1CCCC1 ZINC000087006816 325269178 /nfs/dbraw/zinc/26/91/78/325269178.db2.gz DMTBPJCMWOAFPY-UHFFFAOYSA-N 0 3 356.220 2.112 20 5 FEBDHN N[C@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237843759 328530849 /nfs/dbraw/zinc/53/08/49/328530849.db2.gz NTDJPBTXPLKKQM-GOEBONIOSA-N 0 3 355.398 2.093 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](COCc2ccccc2)C1 ZINC000090550880 325362565 /nfs/dbraw/zinc/36/25/65/325362565.db2.gz OBXAVXZKZURNRW-KRWDZBQOSA-N 0 3 357.410 2.295 20 5 FEBDHN Cn1cc(CNCc2ccc(C(N)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931993 328534629 /nfs/dbraw/zinc/53/46/29/328534629.db2.gz XYAVZMIMDFTKGU-UHFFFAOYSA-N 0 3 365.393 2.384 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000116922498 326042213 /nfs/dbraw/zinc/04/22/13/326042213.db2.gz PJWIWIXHUVLEDP-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN Cc1cc(F)ccc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922531 326042295 /nfs/dbraw/zinc/04/22/95/326042295.db2.gz VGISNJQQVODJQP-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN CC(C)CN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000120204525 326240761 /nfs/dbraw/zinc/24/07/61/326240761.db2.gz KJGUWNAWVLWKIH-CQSZACIVSA-N 0 3 355.460 2.241 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000120679598 326278156 /nfs/dbraw/zinc/27/81/56/326278156.db2.gz GDNDYMGDWZEINT-CMPLNLGQSA-N 0 3 368.821 2.128 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151605124 326686701 /nfs/dbraw/zinc/68/67/01/326686701.db2.gz UEYQPSMEDNTOPT-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN CN(C)[C@@H](CNC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000162460351 327026207 /nfs/dbraw/zinc/02/62/07/327026207.db2.gz LVWBPSYDENFEKZ-IBGZPJMESA-N 0 3 368.437 2.376 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164139957 327065020 /nfs/dbraw/zinc/06/50/20/327065020.db2.gz CFYAMMMPWUHJFW-WFASDCNBSA-N 0 3 362.386 2.368 20 5 FEBDHN CC[C@H](NCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000164297559 327068205 /nfs/dbraw/zinc/06/82/05/327068205.db2.gz HLEIROUPTIEHBH-SFHVURJKSA-N 0 3 370.457 2.248 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)cc1OC ZINC000171445866 327139951 /nfs/dbraw/zinc/13/99/51/327139951.db2.gz VUUYNLUCINPDDF-ZDUSSCGKSA-N 0 3 363.414 2.312 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000171979971 327174142 /nfs/dbraw/zinc/17/41/42/327174142.db2.gz NSKCWMUOLNZUCJ-LBPRGKRZSA-N 0 3 367.402 2.363 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000171980458 327174375 /nfs/dbraw/zinc/17/43/75/327174375.db2.gz AYTATYYTMOPKNT-LBPRGKRZSA-N 0 3 367.402 2.363 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000173640298 327272977 /nfs/dbraw/zinc/27/29/77/327272977.db2.gz ROXMFMLIEXTCSN-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173827591 327287156 /nfs/dbraw/zinc/28/71/56/327287156.db2.gz POTRJMKWTZFGRQ-CHWSQXEVSA-N 0 3 373.862 2.496 20 5 FEBDHN Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174955358 327363401 /nfs/dbraw/zinc/36/34/01/327363401.db2.gz ZCUNFIDQDZLNHM-INIZCTEOSA-N 0 3 371.441 2.231 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247545881 549354456 /nfs/dbraw/zinc/35/44/56/549354456.db2.gz YILCWGZIQKIPKK-WFASDCNBSA-N 0 3 363.414 2.326 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000267615682 329343662 /nfs/dbraw/zinc/34/36/62/329343662.db2.gz XNZDKUSOHHVDGR-OLZOCXBDSA-N 0 3 351.378 2.198 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267988185 329374402 /nfs/dbraw/zinc/37/44/02/329374402.db2.gz ZUMCGQDALGCGSW-MRVPVSSYSA-N 0 3 360.183 2.178 20 5 FEBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156092 329391335 /nfs/dbraw/zinc/39/13/35/329391335.db2.gz HDOIUUDXJNCSJY-XPTSAGLGSA-N 0 3 362.386 2.332 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000272485569 329784914 /nfs/dbraw/zinc/78/49/14/329784914.db2.gz JUCTZVILTOECEM-NSHDSACASA-N 0 3 359.423 2.085 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000272597574 329795690 /nfs/dbraw/zinc/79/56/90/329795690.db2.gz UTNMZWMUQHZGOB-LBPRGKRZSA-N 0 3 361.427 2.300 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000273973218 329906341 /nfs/dbraw/zinc/90/63/41/329906341.db2.gz VMDIZRSJEXEWSX-UHFFFAOYSA-N 0 3 372.385 2.138 20 5 FEBDHN CCO[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000274934212 329994223 /nfs/dbraw/zinc/99/42/23/329994223.db2.gz OYEUFSCAECNYNE-LZLYRXPVSA-N 0 3 360.414 2.277 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000275782831 330088531 /nfs/dbraw/zinc/08/85/31/330088531.db2.gz JSOOWYUDRDUURH-CYBMUJFWSA-N 0 3 368.865 2.312 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](N2CCCC2)CC1 ZINC000276344735 330143015 /nfs/dbraw/zinc/14/30/15/330143015.db2.gz SVDBOHSSPUIQEM-AWEZNQCLSA-N 0 3 367.471 2.453 20 5 FEBDHN CC(C)c1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281828445 330177780 /nfs/dbraw/zinc/17/77/80/330177780.db2.gz RSBPZAMINMXENV-UHFFFAOYSA-N 0 3 362.474 2.474 20 5 FEBDHN CN(C)CCOc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccn1 ZINC000478042901 561158876 /nfs/dbraw/zinc/15/88/76/561158876.db2.gz UTDIWKAVTOYCSD-UHFFFAOYSA-N 0 3 373.413 2.371 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159654570 545970279 /nfs/dbraw/zinc/97/02/79/545970279.db2.gz CFADPZRDPCIKON-CQSZACIVSA-N 0 3 357.414 2.194 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC(F)F)cc1 ZINC000159697570 545974484 /nfs/dbraw/zinc/97/44/84/545974484.db2.gz QIACTNWXSVEWPG-UHFFFAOYSA-N 0 3 353.325 2.490 20 5 FEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@H]1C ZINC000478583242 561170197 /nfs/dbraw/zinc/17/01/97/561170197.db2.gz GWLQCMAXZSSDMS-CHWSQXEVSA-N 0 3 363.414 2.359 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000161449215 546131075 /nfs/dbraw/zinc/13/10/75/546131075.db2.gz WJUCGZXHUZNFTG-OAHLLOKOSA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1C ZINC000178316598 546774042 /nfs/dbraw/zinc/77/40/42/546774042.db2.gz OHTFHAWCDHRLHZ-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN CCS(=O)(=O)NCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181496678 547323159 /nfs/dbraw/zinc/32/31/59/547323159.db2.gz NTNLMNHVVYBDGM-UHFFFAOYSA-N 0 3 352.416 2.193 20 5 FEBDHN NC(=O)C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067225 547431278 /nfs/dbraw/zinc/43/12/78/547431278.db2.gz MKTFVEQIGCRSAX-DLBZAZTESA-N 0 3 374.441 2.114 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182130006 547442431 /nfs/dbraw/zinc/44/24/31/547442431.db2.gz KHOBMSMZSMWOOV-UHFFFAOYSA-N 0 3 368.865 2.234 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182368410 547480807 /nfs/dbraw/zinc/48/08/07/547480807.db2.gz UTLPGMVZHGDJKF-UHFFFAOYSA-N 0 3 361.354 2.121 20 5 FEBDHN COCCN(C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182603013 547520455 /nfs/dbraw/zinc/52/04/55/547520455.db2.gz HFLKJHIDAYRAEV-UHFFFAOYSA-N 0 3 361.851 2.035 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182681738 547532246 /nfs/dbraw/zinc/53/22/46/547532246.db2.gz UYJJWDSANGZZHR-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000183783989 547719315 /nfs/dbraw/zinc/71/93/15/547719315.db2.gz RHGKXKAGMPPLNI-SFHVURJKSA-N 0 3 369.421 2.400 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184297088 547802544 /nfs/dbraw/zinc/80/25/44/547802544.db2.gz TTYPOAYEDLPJFS-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195608414 548654734 /nfs/dbraw/zinc/65/47/34/548654734.db2.gz RPGQRYUEMUPPFH-CYBMUJFWSA-N 0 3 355.460 2.384 20 5 FEBDHN COc1ccc(CSCC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237215094 548808753 /nfs/dbraw/zinc/80/87/53/548808753.db2.gz JILQLAKZTQCVJP-NWDGAFQWSA-N 0 3 353.444 2.045 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000237796612 548854579 /nfs/dbraw/zinc/85/45/79/548854579.db2.gz MAJQVWGUCYGHSG-SECBINFHSA-N 0 3 367.349 2.034 20 5 FEBDHN N[C@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237843351 548858059 /nfs/dbraw/zinc/85/80/59/548858059.db2.gz NTDJPBTXPLKKQM-GDBMZVCRSA-N 0 3 355.398 2.093 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245910213 549017516 /nfs/dbraw/zinc/01/75/16/549017516.db2.gz VLHZJRTWYZQBLX-GOEBONIOSA-N 0 3 369.425 2.337 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000246974606 549255034 /nfs/dbraw/zinc/25/50/34/549255034.db2.gz JHTBPTUYQPPIEZ-SMDDNHRTSA-N 0 3 373.862 2.353 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247653277 549369031 /nfs/dbraw/zinc/36/90/31/549369031.db2.gz WRGSEPJRQGGIQE-WCQYABFASA-N 0 3 373.862 2.353 20 5 FEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000268616038 550094482 /nfs/dbraw/zinc/09/44/82/550094482.db2.gz ZLOJRQOIIPBLHI-SFHVURJKSA-N 0 3 368.437 2.400 20 5 FEBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000269121981 550157544 /nfs/dbraw/zinc/15/75/44/550157544.db2.gz GABJKMKTDOYHPG-WBMJQRKESA-N 0 3 354.428 2.453 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270407401 550270234 /nfs/dbraw/zinc/27/02/34/550270234.db2.gz AKBODNKMVGAJGA-UONOGXRCSA-N 0 3 355.485 2.434 20 5 FEBDHN COCCN(C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270777251 550306312 /nfs/dbraw/zinc/30/63/12/550306312.db2.gz GKBOAVSGKACBBV-UHFFFAOYSA-N 0 3 364.446 2.237 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272571133 550458445 /nfs/dbraw/zinc/45/84/45/550458445.db2.gz LGOUUQODUJRDGR-XHDPSFHLSA-N 0 3 352.822 2.484 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000273526636 550501919 /nfs/dbraw/zinc/50/19/19/550501919.db2.gz PNPYODUTHRCAEM-CQSZACIVSA-N 0 3 369.487 2.129 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273539712 550502237 /nfs/dbraw/zinc/50/22/37/550502237.db2.gz DWNXSIUEZDQGTI-CYBMUJFWSA-N 0 3 355.460 2.087 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000277004890 550620780 /nfs/dbraw/zinc/62/07/80/550620780.db2.gz ABWSWVWNPFLALI-ZDUSSCGKSA-N 0 3 354.426 2.428 20 5 FEBDHN COC(=O)c1cc(NC(=O)N(C)CCN(C)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000277413673 550667520 /nfs/dbraw/zinc/66/75/20/550667520.db2.gz LUEWVOIAYXGCMO-UHFFFAOYSA-N 0 3 364.402 2.248 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277511488 550679396 /nfs/dbraw/zinc/67/93/96/550679396.db2.gz QCHCJRCWNMLAEG-ZDUSSCGKSA-N 0 3 366.418 2.226 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](OCc2ccncc2)C1 ZINC000281075446 551061025 /nfs/dbraw/zinc/06/10/25/551061025.db2.gz UBKZRJRZDATZPK-SJORKVTESA-N 0 3 373.409 2.021 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281413573 551094370 /nfs/dbraw/zinc/09/43/70/551094370.db2.gz OHYBUGSDEKTALJ-CYBMUJFWSA-N 0 3 351.403 2.433 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC12CCOCC2 ZINC000282087712 551178765 /nfs/dbraw/zinc/17/87/65/551178765.db2.gz OKQPFFGIMAWASJ-MRXNPFEDSA-N 0 3 363.414 2.481 20 5 FEBDHN CCCN(C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497516476 561502937 /nfs/dbraw/zinc/50/29/37/561502937.db2.gz OPDQIJPOVBSVGW-CYBMUJFWSA-N 0 3 355.460 2.166 20 5 FEBDHN CCN(CC)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497518374 561503075 /nfs/dbraw/zinc/50/30/75/561503075.db2.gz XINZLQMWLDFUAM-CYBMUJFWSA-N 0 3 355.460 2.166 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000282657863 551256383 /nfs/dbraw/zinc/25/63/83/551256383.db2.gz GDZCMHXCWONFEJ-KRWDZBQOSA-N 0 3 371.441 2.208 20 5 FEBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000282731683 551264582 /nfs/dbraw/zinc/26/45/82/551264582.db2.gz ZTLAZCAWNBRHRE-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000283283775 551341775 /nfs/dbraw/zinc/34/17/75/551341775.db2.gz BTXMXKVZGCMQEV-JTQLQIEISA-N 0 3 356.220 2.442 20 5 FEBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000498018566 561513868 /nfs/dbraw/zinc/51/38/68/561513868.db2.gz GPSBYKQYKQVAHE-WBVHZDCISA-N 0 3 371.441 2.475 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500934 561526125 /nfs/dbraw/zinc/52/61/25/561526125.db2.gz ZQBDZXCLXFULMF-IRUJWGPZSA-N 0 3 368.821 2.080 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000285472436 551761528 /nfs/dbraw/zinc/76/15/28/551761528.db2.gz CECPJRSGUXPWLH-YIONKMFJSA-N 0 3 367.471 2.457 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117771 551965589 /nfs/dbraw/zinc/96/55/89/551965589.db2.gz MBNLOWPSFXPFKB-GDBMZVCRSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364215 551994812 /nfs/dbraw/zinc/99/48/12/551994812.db2.gz WWOTWZRVNAOUAC-MFKMUULPSA-N 0 3 361.427 2.298 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287841081 552053280 /nfs/dbraw/zinc/05/32/80/552053280.db2.gz RNWYJIOMNIMZTG-NSHDSACASA-N 0 3 363.443 2.289 20 5 FEBDHN CC[C@@H]1CCCCN1CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000500409144 561571917 /nfs/dbraw/zinc/57/19/17/561571917.db2.gz OGIXFURSDHBZGC-CYBMUJFWSA-N 0 3 370.475 2.179 20 5 FEBDHN C[C@@H](CO)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289519970 552334414 /nfs/dbraw/zinc/33/44/14/552334414.db2.gz NTPMWHUREMKHDG-DTWKUNHWSA-N 0 3 364.183 2.306 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000500463772 561573885 /nfs/dbraw/zinc/57/38/85/561573885.db2.gz QXLVVQMRHQNUAH-DGCLKSJQSA-N 0 3 374.340 2.397 20 5 FEBDHN C[C@]1(C[C@H]2CCCN2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623590 552351586 /nfs/dbraw/zinc/35/15/86/552351586.db2.gz LQFFZDTYDIVCEI-AVHKGYALSA-N 0 3 358.398 2.061 20 5 FEBDHN CN(C)S(=O)(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289744464 552371321 /nfs/dbraw/zinc/37/13/21/552371321.db2.gz WBGKETYUSZGISD-UHFFFAOYSA-N 0 3 369.468 2.304 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289818063 552383554 /nfs/dbraw/zinc/38/35/54/552383554.db2.gz WCIPARALSHCJGG-UHFFFAOYSA-N 0 3 356.810 2.481 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500868769 561584791 /nfs/dbraw/zinc/58/47/91/561584791.db2.gz ZEHHXOAHBLUVRU-BBRMVZONSA-N 0 3 357.414 2.051 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931956 561586014 /nfs/dbraw/zinc/58/60/14/561586014.db2.gz WUPZGHAVWXOGSV-GJZGRUSLSA-N 0 3 369.487 2.320 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290780847 552536690 /nfs/dbraw/zinc/53/66/90/552536690.db2.gz MYEFERRWSKNAQP-AWEZNQCLSA-N 0 3 369.425 2.190 20 5 FEBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291110198 552587703 /nfs/dbraw/zinc/58/77/03/552587703.db2.gz KICZSWUXVCXLSH-ZDUSSCGKSA-N 0 3 353.423 2.026 20 5 FEBDHN CC(C)(NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292078782 552691455 /nfs/dbraw/zinc/69/14/55/552691455.db2.gz FLVSQXFTFKTOBN-CYBMUJFWSA-N 0 3 355.460 2.091 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1C ZINC000292698920 552750375 /nfs/dbraw/zinc/75/03/75/552750375.db2.gz DBXUFCKSIAMHPU-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1F ZINC000292856219 552765551 /nfs/dbraw/zinc/76/55/51/552765551.db2.gz QYKAVMMYYGTYCU-INIZCTEOSA-N 0 3 371.434 2.149 20 5 FEBDHN Cc1sccc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000293451760 552825383 /nfs/dbraw/zinc/82/53/83/552825383.db2.gz COWKPXITGQLYBU-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN C[C@@H](Cc1ccc(O)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293676670 552846204 /nfs/dbraw/zinc/84/62/04/552846204.db2.gz RCRJMABOQHEALO-ZDUSSCGKSA-N 0 3 364.423 2.295 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259889 552892096 /nfs/dbraw/zinc/89/20/96/552892096.db2.gz SYMCXQLSVSVOSB-LJQANCHMSA-N 0 3 369.425 2.338 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000295862952 553069346 /nfs/dbraw/zinc/06/93/46/553069346.db2.gz DYUOKLHZHSGEML-CRAIPNDOSA-N 0 3 362.426 2.226 20 5 FEBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000295890591 553072258 /nfs/dbraw/zinc/07/22/58/553072258.db2.gz CPRMODIRLPCPBV-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277664 553133659 /nfs/dbraw/zinc/13/36/59/553133659.db2.gz OREPDJXOGMJOFJ-OLMNPRSZSA-N 0 3 357.410 2.031 20 5 FEBDHN CC[C@H](C)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000296284745 553135190 /nfs/dbraw/zinc/13/51/90/553135190.db2.gz YYNPOGMITXSEBZ-ZDUSSCGKSA-N 0 3 352.410 2.479 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000296888873 553225786 /nfs/dbraw/zinc/22/57/86/553225786.db2.gz VHQJJPVVEBCURF-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)[NH+]2CCCC2)cc1 ZINC000298875628 553484003 /nfs/dbraw/zinc/48/40/03/553484003.db2.gz XTMCKDYIJLUOHF-INIZCTEOSA-N 0 3 358.398 2.498 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1CN1CCCC1 ZINC000299571055 553583096 /nfs/dbraw/zinc/58/30/96/553583096.db2.gz UBIXAUJTRIKDSF-GOSISDBHSA-N 0 3 369.425 2.481 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000299730185 553609015 /nfs/dbraw/zinc/60/90/15/553609015.db2.gz WQYGJMGVWAPHSQ-KBPBESRZSA-N 0 3 362.430 2.091 20 5 FEBDHN COCCN(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000505067911 561665761 /nfs/dbraw/zinc/66/57/61/561665761.db2.gz HHBZOJBZLBBRGA-INIZCTEOSA-N 0 3 374.441 2.373 20 5 FEBDHN Cc1nnc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)[nH]1 ZINC000302115592 553704756 /nfs/dbraw/zinc/70/47/56/553704756.db2.gz BXLCAMJICYBDSR-UHFFFAOYSA-N 0 3 367.413 2.200 20 5 FEBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976191 553762942 /nfs/dbraw/zinc/76/29/42/553762942.db2.gz FLYZUXAHQTVOSJ-VHSXEESVSA-N 0 3 369.219 2.061 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000325050103 553774836 /nfs/dbraw/zinc/77/48/36/553774836.db2.gz PMBKIPODCOSRSH-CYBMUJFWSA-N 0 3 353.444 2.165 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736619 554318323 /nfs/dbraw/zinc/31/83/23/554318323.db2.gz UEVYCOICDGLMPM-HNAYVOBHSA-N 0 3 361.442 2.414 20 5 FEBDHN COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000331906526 554344023 /nfs/dbraw/zinc/34/40/23/554344023.db2.gz KFBGKXSFOLFAFK-IIDMSEBBSA-N 0 3 350.415 2.355 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCc1nnnn1-c1ccccc1 ZINC000509432093 561799600 /nfs/dbraw/zinc/79/96/00/561799600.db2.gz XUILRERNPGIEBB-VURMDHGXSA-N 0 3 350.382 2.416 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071220 554374316 /nfs/dbraw/zinc/37/43/16/554374316.db2.gz CCAIPZRRAANSTF-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1C ZINC000332089439 554378205 /nfs/dbraw/zinc/37/82/05/554378205.db2.gz UQQJZFJWONSMAO-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1C ZINC000332099728 554380314 /nfs/dbraw/zinc/38/03/14/554380314.db2.gz YDKJFQYBODWYRA-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000332247689 554409662 /nfs/dbraw/zinc/40/96/62/554409662.db2.gz BQIOJMKWXPXWKH-HNNXBMFYSA-N 0 3 361.398 2.082 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000332562099 554472060 /nfs/dbraw/zinc/47/20/60/554472060.db2.gz XEQUJCZWTKNXAR-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592791 554478721 /nfs/dbraw/zinc/47/87/21/554478721.db2.gz NYLYZRINDQYGQD-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN O=C(CN1CC[C@H](N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363191959 555050190 /nfs/dbraw/zinc/05/01/90/555050190.db2.gz FSSRFUOFSNCPJN-ZDUSSCGKSA-N 0 3 352.822 2.357 20 5 FEBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000363369029 555087671 /nfs/dbraw/zinc/08/76/71/555087671.db2.gz FAVMBGBEGMFKIY-UHFFFAOYSA-N 0 3 354.410 2.427 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458204 555110866 /nfs/dbraw/zinc/11/08/66/555110866.db2.gz ZAWUNTMONOLGTD-VXGBXAGGSA-N 0 3 354.794 2.233 20 5 FEBDHN CN1C(=O)CSC12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000363827791 555194844 /nfs/dbraw/zinc/19/48/44/555194844.db2.gz MMOQCCGVSBPELW-UHFFFAOYSA-N 0 3 365.455 2.361 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873341 555204025 /nfs/dbraw/zinc/20/40/25/555204025.db2.gz CIMISDWFAHGHTE-DYVFJYSZSA-N 0 3 369.425 2.212 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364204261 555269298 /nfs/dbraw/zinc/26/92/98/555269298.db2.gz ZBZPWOOLASPENL-HUUCEWRRSA-N 0 3 359.357 2.066 20 5 FEBDHN CC(C)(O)CN1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364647797 555362473 /nfs/dbraw/zinc/36/24/73/555362473.db2.gz QGQCRAIWWCHRFJ-UHFFFAOYSA-N 0 3 359.373 2.479 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C1 ZINC000364887151 555425890 /nfs/dbraw/zinc/42/58/90/555425890.db2.gz ZUUSKXWKOSEPMR-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4nc[nH]n4)C3)o2)cc1 ZINC000365903785 555697211 /nfs/dbraw/zinc/69/72/11/555697211.db2.gz QNQKFDPEWOXDSC-GFCCVEGCSA-N 0 3 355.358 2.143 20 5 FEBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366462712 555850786 /nfs/dbraw/zinc/85/07/86/555850786.db2.gz PCEMCWVCRSGENK-QWRGUYRKSA-N 0 3 350.375 2.148 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000366690474 555909700 /nfs/dbraw/zinc/90/97/00/555909700.db2.gz ASZBWOOTXGQNCD-HUUCEWRRSA-N 0 3 357.414 2.104 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244659 561965388 /nfs/dbraw/zinc/96/53/88/561965388.db2.gz LTMKNDWVLPLRLM-GRYCIOLGSA-N 0 3 367.402 2.108 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664827 556378669 /nfs/dbraw/zinc/37/86/69/556378669.db2.gz YUEZPSIPGNXHGQ-GOEBONIOSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664827 556378671 /nfs/dbraw/zinc/37/86/71/556378671.db2.gz YUEZPSIPGNXHGQ-GOEBONIOSA-N 0 3 360.414 2.246 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000368683325 556384638 /nfs/dbraw/zinc/38/46/38/556384638.db2.gz DVBPNEPWILJCMK-HNNXBMFYSA-N 0 3 361.446 2.086 20 5 FEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369062933 556493898 /nfs/dbraw/zinc/49/38/98/556493898.db2.gz IVGNYRBLNCZSFI-UHFFFAOYSA-N 0 3 360.458 2.113 20 5 FEBDHN O=C1[C@@H](N2CCC[C@H](N3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582490 556638218 /nfs/dbraw/zinc/63/82/18/556638218.db2.gz BNIJZFKZIOSGAQ-ROUUACIJSA-N 0 3 358.442 2.260 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000370914497 557013430 /nfs/dbraw/zinc/01/34/30/557013430.db2.gz YIUVGBQFSYGXPR-LPHOPBHVSA-N 0 3 371.441 2.224 20 5 FEBDHN CN1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cn2)CC1 ZINC000371323891 557146479 /nfs/dbraw/zinc/14/64/79/557146479.db2.gz RWCIKSROXZWDMR-UHFFFAOYSA-N 0 3 357.370 2.110 20 5 FEBDHN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371334605 557150799 /nfs/dbraw/zinc/15/07/99/557150799.db2.gz HAYGBLFNUHERLE-YOEHRIQHSA-N 0 3 350.438 2.192 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000371356312 557158239 /nfs/dbraw/zinc/15/82/39/557158239.db2.gz WWTBTXYNVHZPHC-CIHFUWIRSA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518104195 562104634 /nfs/dbraw/zinc/10/46/34/562104634.db2.gz YSBHQLVZAYIGCI-OKILXGFUSA-N 0 3 362.430 2.221 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOCC2(CCC2)C1 ZINC000371900035 557324707 /nfs/dbraw/zinc/32/47/07/557324707.db2.gz UJVGTCKBEDWLQN-UHFFFAOYSA-N 0 3 363.414 2.435 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000372550080 557501393 /nfs/dbraw/zinc/50/13/93/557501393.db2.gz BQVASJJIIVJKCQ-UHFFFAOYSA-N 0 3 355.822 2.167 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000372583945 557512850 /nfs/dbraw/zinc/51/28/50/557512850.db2.gz GIZRLOLOSKMMBY-RUYXUALKSA-N 0 3 351.406 2.384 20 5 FEBDHN COc1ccc(CC(=O)Nc2ccc3c(c2)CNCCO3)cc1[N+](=O)[O-] ZINC000519542800 562134201 /nfs/dbraw/zinc/13/42/01/562134201.db2.gz OFVQSBOVJWMGAX-UHFFFAOYSA-N 0 3 357.366 2.267 20 5 FEBDHN CN(C)C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725226 557547926 /nfs/dbraw/zinc/54/79/26/557547926.db2.gz HCZGYPZUYVNUGG-SJLPKXTDSA-N 0 3 357.410 2.457 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000373039464 557615094 /nfs/dbraw/zinc/61/50/94/557615094.db2.gz GEJUVXVHQXVLMK-CQSZACIVSA-N 0 3 353.854 2.248 20 5 FEBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000519932306 562147997 /nfs/dbraw/zinc/14/79/97/562147997.db2.gz QDQLADQMUASLBN-UHFFFAOYSA-N 0 3 357.414 2.236 20 5 FEBDHN COC(=O)c1cccc(OCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373277541 557663673 /nfs/dbraw/zinc/66/36/73/557663673.db2.gz ZBMYOGDADUMKRT-UHFFFAOYSA-N 0 3 374.397 2.294 20 5 FEBDHN O=C1O[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1c1ccccc1 ZINC000373296176 557667680 /nfs/dbraw/zinc/66/76/80/557667680.db2.gz ZGTFUFNNKHNIKX-INIZCTEOSA-N 0 3 371.397 2.454 20 5 FEBDHN O=C(CCN1CCC2(CCOC2=O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373437949 557693410 /nfs/dbraw/zinc/69/34/10/557693410.db2.gz BTWUIFQLGUUWKI-UHFFFAOYSA-N 0 3 365.361 2.092 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373809618 557764264 /nfs/dbraw/zinc/76/42/64/557764264.db2.gz JVCKAHRIFDJRGP-KSSFIOAISA-N 0 3 363.414 2.193 20 5 FEBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000374372900 557873742 /nfs/dbraw/zinc/87/37/42/557873742.db2.gz GBRZZHKPRHRRAY-RYUDHWBXSA-N 0 3 352.366 2.027 20 5 FEBDHN Cn1cc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585475 557902513 /nfs/dbraw/zinc/90/25/13/557902513.db2.gz NIVSWUABFHNYPH-IAGOWNOFSA-N 0 3 369.425 2.238 20 5 FEBDHN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1[N+](=O)[O-] ZINC000375503065 558039321 /nfs/dbraw/zinc/03/93/21/558039321.db2.gz QBQRSDXZUWZSOE-WPKBUWHJSA-N 0 3 357.414 2.307 20 5 FEBDHN CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375504488 558039680 /nfs/dbraw/zinc/03/96/80/558039680.db2.gz GNJGELUFBHMALB-IIDMSEBBSA-N 0 3 357.414 2.389 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000375878879 558092920 /nfs/dbraw/zinc/09/29/20/558092920.db2.gz GLTTUTLQVDQULS-KRWDZBQOSA-N 0 3 360.458 2.144 20 5 FEBDHN CC(=O)c1cc(N2CCC[C@@H](CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376187483 558138543 /nfs/dbraw/zinc/13/85/43/558138543.db2.gz KKMIWWYPMGUXOV-INIZCTEOSA-N 0 3 360.458 2.261 20 5 FEBDHN O=C(NC1CC(N2CCCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000376571780 558192378 /nfs/dbraw/zinc/19/23/78/558192378.db2.gz QQEIKRXMIAUKPX-UHFFFAOYSA-N 0 3 361.398 2.113 20 5 FEBDHN CCOC(=O)c1cc(N2CCCN(CCCOC)CC2)ccc1[N+](=O)[O-] ZINC000378099595 558480902 /nfs/dbraw/zinc/48/09/02/558480902.db2.gz DXIIQUKFDNNJFF-UHFFFAOYSA-N 0 3 365.430 2.320 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@@H](O)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067366 562223737 /nfs/dbraw/zinc/22/37/37/562223737.db2.gz MQWIYUXZSSLWKQ-YVEFUNNKSA-N 0 3 362.382 2.350 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316030 558666324 /nfs/dbraw/zinc/66/63/24/558666324.db2.gz NFEZEXZYUHASJN-CHWSQXEVSA-N 0 3 371.434 2.290 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1C ZINC000408337383 558667959 /nfs/dbraw/zinc/66/79/59/558667959.db2.gz UNNKKQGLKAOCCK-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000408340610 558668619 /nfs/dbraw/zinc/66/86/19/558668619.db2.gz WPCNORUWBFECKS-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000525028502 562239536 /nfs/dbraw/zinc/23/95/36/562239536.db2.gz WHPDAPDVNDZHEW-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003519 559001340 /nfs/dbraw/zinc/00/13/40/559001340.db2.gz XGAXMCKDUZMGPV-ROUUACIJSA-N 0 3 372.425 2.006 20 5 FEBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413057017 559073458 /nfs/dbraw/zinc/07/34/58/559073458.db2.gz WPOBSUFOYYERQF-LLVKDONJSA-N 0 3 361.368 2.447 20 5 FEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1N(C)C ZINC000413199943 559087930 /nfs/dbraw/zinc/08/79/30/559087930.db2.gz DPRQLMZERVUFKF-MNOVXSKESA-N 0 3 350.366 2.490 20 5 FEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953365 559196913 /nfs/dbraw/zinc/19/69/13/559196913.db2.gz RLVJZLUJNQELKH-KWQFWETISA-N 0 3 374.344 2.431 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416454722 559313975 /nfs/dbraw/zinc/31/39/75/559313975.db2.gz DZRIEQUNJKETDS-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417188175 559352014 /nfs/dbraw/zinc/35/20/14/559352014.db2.gz VPZMBIFBJYVJSL-DLBZAZTESA-N 0 3 370.409 2.240 20 5 FEBDHN O=C(NCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1cnccn1 ZINC000417307999 559356899 /nfs/dbraw/zinc/35/68/99/559356899.db2.gz CKQHMRLNRBIPEZ-INIZCTEOSA-N 0 3 355.398 2.172 20 5 FEBDHN CCOCCOC[C@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319367 559357371 /nfs/dbraw/zinc/35/73/71/559357371.db2.gz BYSRZNQGWSJHAJ-AEFFLSMTSA-N 0 3 352.431 2.366 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419281370 559435119 /nfs/dbraw/zinc/43/51/19/559435119.db2.gz BDPLUGSXPQPCSC-GDBMZVCRSA-N 0 3 366.368 2.138 20 5 FEBDHN CN1CCNC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420280824 559478532 /nfs/dbraw/zinc/47/85/32/559478532.db2.gz VEWPXQBJBUOWGA-INIZCTEOSA-N 0 3 354.410 2.141 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420394268 559485195 /nfs/dbraw/zinc/48/51/95/559485195.db2.gz ALUGQLZSZNGHJS-DOTOQJQBSA-N 0 3 372.400 2.408 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000420446141 559487733 /nfs/dbraw/zinc/48/77/33/559487733.db2.gz GWQLKMJRLQNHHC-VIFPVBQESA-N 0 3 367.349 2.034 20 5 FEBDHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449900 559487902 /nfs/dbraw/zinc/48/79/02/559487902.db2.gz GOQNSSTUJMJHLW-WCBMZHEXSA-N 0 3 367.349 2.019 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)c1 ZINC000420478085 559489634 /nfs/dbraw/zinc/48/96/34/559489634.db2.gz VZBIXACJZQKODF-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)cc1SC ZINC000421705254 559550138 /nfs/dbraw/zinc/55/01/38/559550138.db2.gz QVKYXJPERYZAQL-NSHDSACASA-N 0 3 353.444 2.492 20 5 FEBDHN Cn1cc(CN2CC[C@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425352485 559697947 /nfs/dbraw/zinc/69/79/47/559697947.db2.gz HRTHJAAEPVUJTI-ZDUSSCGKSA-N 0 3 353.386 2.103 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000427373666 559754367 /nfs/dbraw/zinc/75/43/67/559754367.db2.gz BRBYUBIFYUBSTP-HOCLYGCPSA-N 0 3 371.441 2.452 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000427908126 559765225 /nfs/dbraw/zinc/76/52/25/559765225.db2.gz YCSVNKYKYGJJBX-CQSZACIVSA-N 0 3 372.425 2.370 20 5 FEBDHN Cc1cc(OCC(=O)N(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000430783643 559828191 /nfs/dbraw/zinc/82/81/91/559828191.db2.gz NJDAOTGYJNJTCW-UHFFFAOYSA-N 0 3 361.398 2.465 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCCO[C@H](C)C2)c1 ZINC000432866119 559866556 /nfs/dbraw/zinc/86/65/56/559866556.db2.gz NIHYZTJUFKHVPV-CYBMUJFWSA-N 0 3 351.403 2.294 20 5 FEBDHN CCOCCOC[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064739 559870900 /nfs/dbraw/zinc/87/09/00/559870900.db2.gz CGWFGDQWERKLLT-YOEHRIQHSA-N 0 3 352.431 2.321 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000433861655 559889003 /nfs/dbraw/zinc/88/90/03/559889003.db2.gz DLQLLZNYZQGNHG-AWEZNQCLSA-N 0 3 359.430 2.344 20 5 FEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000433940171 559890838 /nfs/dbraw/zinc/89/08/38/559890838.db2.gz JEUOXSJJSXUODV-QGZVFWFLSA-N 0 3 361.446 2.323 20 5 FEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCO[C@H]21 ZINC000439623481 559998134 /nfs/dbraw/zinc/99/81/34/559998134.db2.gz RJNHZSLTRGSELI-YLFCFFPRSA-N 0 3 359.426 2.493 20 5 FEBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000439737352 559999449 /nfs/dbraw/zinc/99/94/49/559999449.db2.gz GXUZJBZXIQNCBK-ZDUSSCGKSA-N 0 3 357.414 2.284 20 5 FEBDHN Cn1c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)ccc1[N+](=O)[O-] ZINC000444460641 560114114 /nfs/dbraw/zinc/11/41/14/560114114.db2.gz LGNLDFKNPLJWIS-UHFFFAOYSA-N 0 3 358.398 2.142 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000445065168 560127797 /nfs/dbraw/zinc/12/77/97/560127797.db2.gz KHMURGDRYNYFPT-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1ccc(NC(=O)CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000447306797 560159846 /nfs/dbraw/zinc/15/98/46/560159846.db2.gz SGQVVNSPFKOMFI-CQSZACIVSA-N 0 3 370.413 2.208 20 5 FEBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576099 560164682 /nfs/dbraw/zinc/16/46/82/560164682.db2.gz WKKRXOOESYDTNY-IRXDYDNUSA-N 0 3 371.441 2.224 20 5 FEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595721 560164975 /nfs/dbraw/zinc/16/49/75/560164975.db2.gz AOOKRYDVMNOOKA-KZNAEPCWSA-N 0 3 350.415 2.382 20 5 FEBDHN COC[C@@H]1CCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449782089 560239820 /nfs/dbraw/zinc/23/98/20/560239820.db2.gz YNZQSTNRXGHPBT-CQSZACIVSA-N 0 3 366.414 2.395 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449931060 560245736 /nfs/dbraw/zinc/24/57/36/560245736.db2.gz XWALEBNSBCUYBF-UKRRQHHQSA-N 0 3 357.414 2.335 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CN1C1CC1 ZINC000450071309 560249923 /nfs/dbraw/zinc/24/99/23/560249923.db2.gz BBRQMQCOHBILMT-GXTWGEPZSA-N 0 3 355.398 2.136 20 5 FEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CCCN1CCCO ZINC000450595836 560267500 /nfs/dbraw/zinc/26/75/00/560267500.db2.gz MOGLOJUIXJJPGD-LBPRGKRZSA-N 0 3 369.393 2.169 20 5 FEBDHN COc1cc(C(=O)NC2CC(N3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000451358680 560302425 /nfs/dbraw/zinc/30/24/25/560302425.db2.gz JNOSSWPWIJQDBO-UHFFFAOYSA-N 0 3 351.378 2.489 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505476 560310955 /nfs/dbraw/zinc/31/09/55/560310955.db2.gz UHHPNUVQNNAFNK-JQAFLVLXSA-N 0 3 351.403 2.191 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000451543479 560313482 /nfs/dbraw/zinc/31/34/82/560313482.db2.gz BYYMXQVWZADCLI-AEFFLSMTSA-N 0 3 364.442 2.331 20 5 FEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000452781384 560373705 /nfs/dbraw/zinc/37/37/05/560373705.db2.gz WITIAGSRXHOJAM-AWEZNQCLSA-N 0 3 351.451 2.153 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000454107738 560429865 /nfs/dbraw/zinc/42/98/65/560429865.db2.gz RQCAOKYDBRWYFZ-OAHLLOKOSA-N 0 3 362.430 2.037 20 5 FEBDHN CNc1nc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000456054599 560505560 /nfs/dbraw/zinc/50/55/60/560505560.db2.gz LEWPMILQWMHZHQ-HNNXBMFYSA-N 0 3 373.413 2.073 20 5 FEBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC1 ZINC000456199327 560510686 /nfs/dbraw/zinc/51/06/86/560510686.db2.gz ZKMFGRYWXOPMQV-UHFFFAOYSA-N 0 3 363.462 2.381 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000458417037 560621632 /nfs/dbraw/zinc/62/16/32/560621632.db2.gz IWZKAOGBUNQSGD-PBHICJAKSA-N 0 3 361.446 2.051 20 5 FEBDHN Cc1cc(NCCCN2CCC[C@@H]2C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461788638 560783571 /nfs/dbraw/zinc/78/35/71/560783571.db2.gz YASCDDBRKLJKSB-OAHLLOKOSA-N 0 3 352.410 2.397 20 5 FEBDHN COCC[C@@H](CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000466477182 560887632 /nfs/dbraw/zinc/88/76/32/560887632.db2.gz HUOKCEAYTAKCCZ-LBPRGKRZSA-N 0 3 350.371 2.350 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713618 560915405 /nfs/dbraw/zinc/91/54/05/560915405.db2.gz MVPPIATZXHFMAN-QLJPJBMISA-N 0 3 356.382 2.061 20 5 FEBDHN CN(CCN(C)C1CC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000472650009 561031973 /nfs/dbraw/zinc/03/19/73/561031973.db2.gz LJDXQKMMDVUZRE-UHFFFAOYSA-N 0 3 357.414 2.090 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472732953 561034083 /nfs/dbraw/zinc/03/40/83/561034083.db2.gz UKDSAYUJOIPCOW-LBPRGKRZSA-N 0 3 366.393 2.053 20 5 FEBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000473995456 561063197 /nfs/dbraw/zinc/06/31/97/561063197.db2.gz LIJWBYPOUZLUKA-UKRRQHHQSA-N 0 3 352.387 2.194 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000474808569 561083361 /nfs/dbraw/zinc/08/33/61/561083361.db2.gz KRNLOAZHGILQCB-UHFFFAOYSA-N 0 3 373.457 2.222 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000474890567 561084985 /nfs/dbraw/zinc/08/49/85/561084985.db2.gz BDKRGRPTCBCFNF-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000475579602 561100219 /nfs/dbraw/zinc/10/02/19/561100219.db2.gz WGRLWORLEJKOQF-OAHLLOKOSA-N 0 3 364.446 2.426 20 5 FEBDHN COc1c(C(=O)NC2CCN(CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000476248081 561114443 /nfs/dbraw/zinc/11/44/43/561114443.db2.gz PENBQCZTXXRVGY-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1OCCN1CCCC1 ZINC000477030913 561134713 /nfs/dbraw/zinc/13/47/13/561134713.db2.gz OBWMGXUDXGTWGA-UHFFFAOYSA-N 0 3 373.413 2.364 20 5 FEBDHN CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000530491115 562413364 /nfs/dbraw/zinc/41/33/64/562413364.db2.gz DVORUFBOEQXAAW-MRXNPFEDSA-N 0 3 355.460 2.384 20 5 FEBDHN COCCN1CCC[C@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534494357 562535190 /nfs/dbraw/zinc/53/51/90/562535190.db2.gz BZCFALKRHAASLS-KRWDZBQOSA-N 0 3 371.441 2.305 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000534827498 562543318 /nfs/dbraw/zinc/54/33/18/562543318.db2.gz LECVICBTNOKICC-JKSUJKDBSA-N 0 3 364.471 2.287 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccc1=O ZINC000535714070 562565056 /nfs/dbraw/zinc/56/50/56/562565056.db2.gz RBSLACMUVIHXBU-UHFFFAOYSA-N 0 3 369.381 2.052 20 5 FEBDHN C[C@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162335 562586846 /nfs/dbraw/zinc/58/68/46/562586846.db2.gz VDROBVQRGMRBBA-MGPUTAFESA-N 0 3 369.421 2.409 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000541056346 562601640 /nfs/dbraw/zinc/60/16/40/562601640.db2.gz WYVYBYWYOPCKAA-INIZCTEOSA-N 0 3 365.430 2.463 20 5 FEBDHN C[C@@H](CN(C)C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000569034653 568269892 /nfs/dbraw/zinc/26/98/92/568269892.db2.gz PIMIQTQNXBQJGW-JTQLQIEISA-N 0 3 362.352 2.482 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000569109339 568277747 /nfs/dbraw/zinc/27/77/47/568277747.db2.gz ZKDXULBLDAFNPG-PIJNTSGSSA-N 0 3 357.414 2.419 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000569109340 568277759 /nfs/dbraw/zinc/27/77/59/568277759.db2.gz ZKDXULBLDAFNPG-QKAYDNCFSA-N 0 3 357.414 2.419 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422987 568401805 /nfs/dbraw/zinc/40/18/05/568401805.db2.gz JYSZQZKVAFLMPP-INIZCTEOSA-N 0 3 372.473 2.071 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2ccc(F)c(F)c2)c1 ZINC000570710027 568502208 /nfs/dbraw/zinc/50/22/08/568502208.db2.gz AIVVLTOLCMTEQT-ZDUSSCGKSA-N 0 3 368.336 2.281 20 5 FEBDHN Cn1cc([C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000570890773 568612639 /nfs/dbraw/zinc/61/26/39/568612639.db2.gz HHICGEQXPAQSCD-HNNXBMFYSA-N 0 3 357.414 2.053 20 5 FEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000810376104 674542376 /nfs/dbraw/zinc/54/23/76/674542376.db2.gz KIMLGDAFEYMNJI-KRWDZBQOSA-N 0 3 353.394 2.302 20 5 FEBDHN CC(COC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1)[N+](=O)[O-] ZINC000813114611 674721588 /nfs/dbraw/zinc/72/15/88/674721588.db2.gz UGUHCHAUFUEWQF-VXGBXAGGSA-N 0 3 367.427 2.007 20 5 FEBDHN CC(COC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[N+](=O)[O-] ZINC000813106554 674720338 /nfs/dbraw/zinc/72/03/38/674720338.db2.gz DJJFPSNUBFGWMH-UWVGGRQHSA-N 0 3 371.187 2.010 20 5 FEBDHN CC(COC(=O)c1cc(Br)cnc1OCC1CC1)[N+](=O)[O-] ZINC000813113465 674721050 /nfs/dbraw/zinc/72/10/50/674721050.db2.gz QKAHSBOSUYHEST-QMMMGPOBSA-N 0 3 359.176 2.455 20 5 FEBDHN C[C@@H]1CC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022297 674899756 /nfs/dbraw/zinc/89/97/56/674899756.db2.gz NVTFZHXSRODAEY-SECBINFHSA-N 0 3 365.814 2.007 20 5 FEBDHN C[C@@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022297 674899757 /nfs/dbraw/zinc/89/97/57/674899757.db2.gz NVTFZHXSRODAEY-SECBINFHSA-N 0 3 365.814 2.007 20 5 FEBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572497104 671009926 /nfs/dbraw/zinc/00/99/26/671009926.db2.gz BSIXJZAZVIWHST-CYBMUJFWSA-N 0 3 352.410 2.467 20 5 FEBDHN CC(C)[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804826 671046047 /nfs/dbraw/zinc/04/60/47/671046047.db2.gz ZVKGMKDFMKLBKN-GFCCVEGCSA-N 0 3 364.183 2.306 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cs1 ZINC000120066043 671915559 /nfs/dbraw/zinc/91/55/59/671915559.db2.gz RAHIECVLMXVRBV-RISCZKNCSA-N 0 3 371.484 2.294 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000610135418 675956245 /nfs/dbraw/zinc/95/62/45/675956245.db2.gz RPNIGPWYNYLVOO-KGLIPLIRSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135142 675956333 /nfs/dbraw/zinc/95/63/33/675956333.db2.gz KFRZMQVSKTWMGJ-UONOGXRCSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1ccccc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581879643 671945393 /nfs/dbraw/zinc/94/53/93/671945393.db2.gz UDDUKRGLKYMTKV-UHFFFAOYSA-N 0 3 364.423 2.209 20 5 FEBDHN Cc1cccnc1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583258926 672078614 /nfs/dbraw/zinc/07/86/14/672078614.db2.gz VPENAQDOWYTYAW-UHFFFAOYSA-N 0 3 363.439 2.294 20 5 FEBDHN CSc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(C)C)cc1 ZINC000583586625 672109214 /nfs/dbraw/zinc/10/92/14/672109214.db2.gz BICKAVCFEXDWLH-ZDUSSCGKSA-N 0 3 363.443 2.083 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000583810161 672128348 /nfs/dbraw/zinc/12/83/48/672128348.db2.gz YVDZBUHXPLTEDD-QGZVFWFLSA-N 0 3 367.471 2.264 20 5 FEBDHN CC(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000592368074 672792643 /nfs/dbraw/zinc/79/26/43/672792643.db2.gz GDHKUOPIBHJTDA-CQSZACIVSA-N 0 3 364.427 2.092 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000594854671 673165558 /nfs/dbraw/zinc/16/55/58/673165558.db2.gz VGFVTSOXPWAHLQ-CYBMUJFWSA-N 0 3 353.444 2.280 20 5 FEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032990 673187878 /nfs/dbraw/zinc/18/78/78/673187878.db2.gz OLIWNWFUQOWSRE-SRCQZFHVSA-N 0 3 354.403 2.075 20 5 FEBDHN CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(CC)C1 ZINC000595131798 673198738 /nfs/dbraw/zinc/19/87/38/673198738.db2.gz OYMDBVQUPQNIOM-GFCCVEGCSA-N 0 3 368.821 2.129 20 5 FEBDHN N[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1F ZINC000595261421 673215175 /nfs/dbraw/zinc/21/51/75/673215175.db2.gz ZRYSMIAQPYWAKZ-VXGBXAGGSA-N 0 3 350.375 2.230 20 5 FEBDHN CCN1CCN(CCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596077309 673356688 /nfs/dbraw/zinc/35/66/88/673356688.db2.gz VCCOCJWTPPSJQE-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274958 673482024 /nfs/dbraw/zinc/48/20/24/673482024.db2.gz BRDIZTIFLNYWLU-UONOGXRCSA-N 0 3 358.320 2.436 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598572891 673585100 /nfs/dbraw/zinc/58/51/00/673585100.db2.gz MLDYWJWMNOPHBK-HNNXBMFYSA-N 0 3 367.471 2.403 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598600594 673588341 /nfs/dbraw/zinc/58/83/41/673588341.db2.gz VDDVPRIPIZFCIP-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN CC1(C)CCC[C@@](CO)(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599593412 673695022 /nfs/dbraw/zinc/69/50/22/673695022.db2.gz CTVSODNQIXHUKN-QGZVFWFLSA-N 0 3 370.471 2.289 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601355283 673847262 /nfs/dbraw/zinc/84/72/62/673847262.db2.gz NAXYKFYYEKCRKE-CMPLNLGQSA-N 0 3 361.489 2.458 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601434370 673861683 /nfs/dbraw/zinc/86/16/83/673861683.db2.gz GVNNQXYQAWFYDP-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601434370 673861687 /nfs/dbraw/zinc/86/16/87/673861687.db2.gz GVNNQXYQAWFYDP-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN O=[N+]([O-])c1sc(CNC2(CCO)CCOCC2)cc1Br ZINC000602500997 673906989 /nfs/dbraw/zinc/90/69/89/673906989.db2.gz SECQBTUIVAZIHC-UHFFFAOYSA-N 0 3 365.249 2.440 20 5 FEBDHN COCC[C@@](C)(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545654 673908080 /nfs/dbraw/zinc/90/80/80/673908080.db2.gz IATXRVRJNMDCNN-LLVKDONJSA-N 0 3 353.238 2.296 20 5 FEBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767099 673910837 /nfs/dbraw/zinc/91/08/37/673910837.db2.gz VSJWRVHYDUISJO-UKRRQHHQSA-N 0 3 351.451 2.117 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCCCS(=O)(=O)c2ccccc2)cc1 ZINC000818981060 675249518 /nfs/dbraw/zinc/24/95/18/675249518.db2.gz NTIWENSMTILQBD-QGZVFWFLSA-N 0 3 364.423 2.082 20 5 FEBDHN C[NH+]1CCC(O[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000819692143 675309711 /nfs/dbraw/zinc/30/97/11/675309711.db2.gz HYITYBPNAXNSTL-UHFFFAOYSA-N 0 3 372.219 2.042 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000567771249 675320703 /nfs/dbraw/zinc/32/07/03/675320703.db2.gz WQIQEKIKZFHWQD-IUODEOHRSA-N 0 3 355.460 2.118 20 5 FEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCCC1 ZINC000825505910 675656567 /nfs/dbraw/zinc/65/65/67/675656567.db2.gz ZLKSNIBUNWZYET-GFCCVEGCSA-N 0 3 352.410 2.404 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000827472981 675758505 /nfs/dbraw/zinc/75/85/05/675758505.db2.gz DSKXICWMNHVZDX-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN CC(COC(=O)c1ncc(Br)cc1Br)[N+](=O)[O-] ZINC000838964293 680729594 /nfs/dbraw/zinc/72/95/94/680729594.db2.gz HCRLVNDILGUOBE-RXMQYKEDSA-N 0 3 367.981 2.429 20 5 FEBDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000752072652 680221842 /nfs/dbraw/zinc/22/18/42/680221842.db2.gz JFXTXDIMCIEULZ-CHWSQXEVSA-N 0 3 353.423 2.026 20 5 FEBDHN CC[C@H](CO)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000754247092 680345302 /nfs/dbraw/zinc/34/53/02/680345302.db2.gz ORUZUXVHCKCHRQ-LLVKDONJSA-N 0 3 350.400 2.017 20 5 FEBDHN CC([C@@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872352 681157944 /nfs/dbraw/zinc/15/79/44/681157944.db2.gz HFXUBGPBQUBHJD-OHUAYANFSA-N 0 3 350.346 2.086 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](Cc3nccs3)C2)c1 ZINC000934337737 681554717 /nfs/dbraw/zinc/55/47/17/681554717.db2.gz USASEVHNFQOTJS-HIFRSBDPSA-N 0 3 363.439 2.356 20 5 FEBDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850548424 681915637 /nfs/dbraw/zinc/91/56/37/681915637.db2.gz RCDWVHXLLOFOJB-NSHDSACASA-N 0 3 368.821 2.176 20 5 FEBDHN C[C@H](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])N(C)C ZINC000853799427 682471308 /nfs/dbraw/zinc/47/13/08/682471308.db2.gz QJUUEKAIWJWUKN-SECBINFHSA-N 0 3 351.375 2.343 20 5 FEBDHN C[C@@H]1[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928456115 683455644 /nfs/dbraw/zinc/45/56/44/683455644.db2.gz NTEWBRURSPVMHZ-SKDRFNHKSA-N 0 3 361.320 2.358 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000866338754 684092975 /nfs/dbraw/zinc/09/29/75/684092975.db2.gz XHSVYBRVCSMHNF-IRXDYDNUSA-N 0 3 368.455 2.306 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000882218753 687326942 /nfs/dbraw/zinc/32/69/42/687326942.db2.gz UFELIBSNTRREFP-HNNXBMFYSA-N 0 3 373.862 2.273 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000885857830 688170372 /nfs/dbraw/zinc/17/03/72/688170372.db2.gz IHAXSWTXDBVRPS-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN CCC[C@H](NCC1(S(=O)(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000886732478 688297436 /nfs/dbraw/zinc/29/74/36/688297436.db2.gz HJRHUQOYVPITTA-HNNXBMFYSA-N 0 3 355.460 2.450 20 5 FEBDHN CCN1CC[C@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000895669065 689752325 /nfs/dbraw/zinc/75/23/25/689752325.db2.gz YNGKTEWJNKWQHH-LBPRGKRZSA-N 0 3 359.373 2.431 20 5 FEBDHN COc1cc(NC[C@@H]2CCN2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000896522333 689884774 /nfs/dbraw/zinc/88/47/74/689884774.db2.gz NILZYPCDCMFWFR-ZDUSSCGKSA-N 0 3 351.403 2.277 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCO[C@]12CCOC2 ZINC000903216559 690868180 /nfs/dbraw/zinc/86/81/80/690868180.db2.gz DCTCHJKZQRYSCP-KGLIPLIRSA-N 0 3 357.204 2.395 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000906458557 691271644 /nfs/dbraw/zinc/27/16/44/691271644.db2.gz GQYUSJLTQICUNX-GJZGRUSLSA-N 0 3 367.833 2.160 20 5 FEBDHN Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868327 721048125 /nfs/dbraw/zinc/04/81/25/721048125.db2.gz NTSWVYCIQFWWAO-SJORKVTESA-N 0 3 369.425 2.173 20 5 FEBDHN Cc1c(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000031464426 539908492 /nfs/dbraw/zinc/90/84/92/539908492.db2.gz FWRUJPAEKVCDEL-UHFFFAOYSA-N 0 3 370.409 2.447 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000041443474 540021812 /nfs/dbraw/zinc/02/18/12/540021812.db2.gz PZFXAXOQINPNTO-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051735960 540441755 /nfs/dbraw/zinc/44/17/55/540441755.db2.gz AEJFSSHNWOPUEN-ZDUSSCGKSA-N 0 3 363.439 2.478 20 5 FEBDHN CCOc1cc(C(=O)NC[C@@H]2CCCN2CC)c([N+](=O)[O-])cc1OC ZINC000053275156 540523180 /nfs/dbraw/zinc/52/31/80/540523180.db2.gz ZAWGWYHEYRIVRM-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000053992404 540563108 /nfs/dbraw/zinc/56/31/08/540563108.db2.gz SHAULGGGYLKLRN-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000055281230 540642980 /nfs/dbraw/zinc/64/29/80/540642980.db2.gz QFGZOAQOURMSKT-CYBMUJFWSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000057700811 540808890 /nfs/dbraw/zinc/80/88/90/540808890.db2.gz YFYGJVWJIISNCH-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000060374105 541108898 /nfs/dbraw/zinc/10/88/98/541108898.db2.gz KMCJRJAZBLSACW-OAHLLOKOSA-N 0 3 355.398 2.091 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000064598165 541212334 /nfs/dbraw/zinc/21/23/34/541212334.db2.gz HADLJKCREMWJOI-HNNXBMFYSA-N 0 3 353.444 2.152 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC[C@@H]1C ZINC000067137134 541422581 /nfs/dbraw/zinc/42/25/81/541422581.db2.gz WBMNLXQEQCKGID-KBPBESRZSA-N 0 3 372.429 2.168 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000067398282 541457647 /nfs/dbraw/zinc/45/76/47/541457647.db2.gz RTLDUQBARJXQEQ-GXTWGEPZSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1nn(CCC(=O)N2CCC[C@@H]2CN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000068132291 541553711 /nfs/dbraw/zinc/55/37/11/541553711.db2.gz SQVGHGCRKXIUDV-MRXNPFEDSA-N 0 3 363.462 2.275 20 5 FEBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068218033 541565142 /nfs/dbraw/zinc/56/51/42/541565142.db2.gz BDDOXQWXVAVBNO-INIZCTEOSA-N 0 3 356.426 2.296 20 5 FEBDHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073052774 541913516 /nfs/dbraw/zinc/91/35/16/541913516.db2.gz CPAWLVHHQBSTOH-CQSZACIVSA-N 0 3 365.430 2.001 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000079709689 542538290 /nfs/dbraw/zinc/53/82/90/542538290.db2.gz ILVQLWMDQJOWBY-WBVHZDCISA-N 0 3 371.441 2.351 20 5 FEBDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909995 542788928 /nfs/dbraw/zinc/78/89/28/542788928.db2.gz OYTYLQILUOWUSV-CYBMUJFWSA-N 0 3 363.439 2.396 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000106478838 543231488 /nfs/dbraw/zinc/23/14/88/543231488.db2.gz HLXAMIQVSAXPLA-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000111911551 543425251 /nfs/dbraw/zinc/42/52/51/543425251.db2.gz ZVKBWUZFQQYBIU-AWEZNQCLSA-N 0 3 370.409 2.170 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467543 543518353 /nfs/dbraw/zinc/51/83/53/543518353.db2.gz QHZIFJVIEYKWKT-PXNSSMCTSA-N 0 3 372.421 2.316 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114644932 543527560 /nfs/dbraw/zinc/52/75/60/543527560.db2.gz WGWHONQOYQLOEC-QGZVFWFLSA-N 0 3 371.441 2.271 20 5 FEBDHN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120184921 543677170 /nfs/dbraw/zinc/67/71/70/543677170.db2.gz BVYLINOVQGGIAH-ZDUSSCGKSA-N 0 3 363.439 2.495 20 5 FEBDHN C[N@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000126423642 543935296 /nfs/dbraw/zinc/93/52/96/543935296.db2.gz NRNKLDDYCFRJFX-UHFFFAOYSA-N 0 3 359.423 2.277 20 5 FEBDHN C[N@@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000126423642 543935299 /nfs/dbraw/zinc/93/52/99/543935299.db2.gz NRNKLDDYCFRJFX-UHFFFAOYSA-N 0 3 359.423 2.277 20 5 FEBDHN Cc1nn(C)c(C(=O)N2CCCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000128506635 544056568 /nfs/dbraw/zinc/05/65/68/544056568.db2.gz YKLCGZSHDDFEKK-UHFFFAOYSA-N 0 3 363.462 2.365 20 5 FEBDHN C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1[C@H](C)CC[C@@H]1C ZINC000247516479 549348496 /nfs/dbraw/zinc/34/84/96/549348496.db2.gz ZMAWSPILFPVGSO-BARDWOONSA-N 0 3 361.446 2.264 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151648661 544566432 /nfs/dbraw/zinc/56/64/32/544566432.db2.gz VYAIIQFKHWGGMM-LBPRGKRZSA-N 0 3 373.862 2.355 20 5 FEBDHN CCOc1ccc([C@H](C)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152660570 544680519 /nfs/dbraw/zinc/68/05/19/544680519.db2.gz LFXVQSVRQODYQA-HNNXBMFYSA-N 0 3 350.463 2.282 20 5 FEBDHN Cc1ccc(F)cc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180224770 327677145 /nfs/dbraw/zinc/67/71/45/327677145.db2.gz SLRVJWCJUIBMSB-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064061 327759331 /nfs/dbraw/zinc/75/93/31/327759331.db2.gz HDQPMJDLCMVUGR-LRDDRELGSA-N 0 3 362.430 2.336 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000182662465 327783901 /nfs/dbraw/zinc/78/39/01/327783901.db2.gz DABJMQUJRPIOTF-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182682494 327784668 /nfs/dbraw/zinc/78/46/68/327784668.db2.gz OEBQRUFARHXYRY-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000183556315 327824195 /nfs/dbraw/zinc/82/41/95/327824195.db2.gz RSHNIQSTRNJCDI-QGZVFWFLSA-N 0 3 367.471 2.027 20 5 FEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186769593 327981388 /nfs/dbraw/zinc/98/13/88/327981388.db2.gz IZSTVYXBFQVUQJ-OAHLLOKOSA-N 0 3 369.487 2.321 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000553893500 674292674 /nfs/dbraw/zinc/29/26/74/674292674.db2.gz TZKHBSUHJRJRPK-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188226091 328074315 /nfs/dbraw/zinc/07/43/15/328074315.db2.gz LGUXMRGPGCAFQW-UHFFFAOYSA-N 0 3 362.430 2.093 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000188266761 328076850 /nfs/dbraw/zinc/07/68/50/328076850.db2.gz CGJKGOLOSSGIEG-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000189399407 328145491 /nfs/dbraw/zinc/14/54/91/328145491.db2.gz ZGGNLMZNGFWUGG-MRXNPFEDSA-N 0 3 360.414 2.010 20 5 FEBDHN CN1C(=O)C[C@@H](NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000192155070 328303535 /nfs/dbraw/zinc/30/35/35/328303535.db2.gz GSLIUDXVZLZIMB-ZBFHGGJFSA-N 0 3 363.805 2.006 20 5 FEBDHN COCCN(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192334161 328313995 /nfs/dbraw/zinc/31/39/95/328313995.db2.gz GZMPCUMKMUMQFZ-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000192758070 328338153 /nfs/dbraw/zinc/33/81/53/328338153.db2.gz VFTUPZUOAIJLNU-INIZCTEOSA-N 0 3 359.430 2.298 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000193293337 328367232 /nfs/dbraw/zinc/36/72/32/328367232.db2.gz NPDQSWRXNRGWFH-GHMZBOCLSA-N 0 3 361.851 2.352 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094134425 325453774 /nfs/dbraw/zinc/45/37/74/325453774.db2.gz BRRGKLUHOINCCR-HNNXBMFYSA-N 0 3 362.474 2.276 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121490887 326342500 /nfs/dbraw/zinc/34/25/00/326342500.db2.gz NBIYJBZDGFPCKL-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)s1 ZINC000121610560 326351931 /nfs/dbraw/zinc/35/19/31/326351931.db2.gz PKONERWFIYQWLE-DGCLKSJQSA-N 0 3 371.484 2.294 20 5 FEBDHN CCC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000121974890 326379190 /nfs/dbraw/zinc/37/91/90/326379190.db2.gz PFINSQCGGXGBSM-ROUUACIJSA-N 0 3 351.447 2.061 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000122352265 326393609 /nfs/dbraw/zinc/39/36/09/326393609.db2.gz JHTBPTUYQPPIEZ-FZMZJTMJSA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1c(Br)cc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000162960648 327039022 /nfs/dbraw/zinc/03/90/22/327039022.db2.gz DPSRRJXIFTYDFC-UHFFFAOYSA-N 0 3 356.220 2.490 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000164721819 327073846 /nfs/dbraw/zinc/07/38/46/327073846.db2.gz RYXDVMVTWKIRAL-QGZVFWFLSA-N 0 3 373.409 2.077 20 5 FEBDHN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000170628033 327089473 /nfs/dbraw/zinc/08/94/73/327089473.db2.gz OZAMJKOBHYGPOU-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CCc1n[nH]c(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171370925 327135385 /nfs/dbraw/zinc/13/53/85/327135385.db2.gz YKPZXTVYBJPASX-UHFFFAOYSA-N 0 3 357.414 2.059 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000173256095 327244341 /nfs/dbraw/zinc/24/43/41/327244341.db2.gz AZRWXCJAUOXMSN-HIFRSBDPSA-N 0 3 355.460 2.254 20 5 FEBDHN CC[C@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000173457508 327258696 /nfs/dbraw/zinc/25/86/96/327258696.db2.gz IXENDVPWOYGOMT-KRWDZBQOSA-N 0 3 374.441 2.181 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173631638 327272576 /nfs/dbraw/zinc/27/25/76/327272576.db2.gz ZAWHIKQMMLVAIB-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173830874 327287369 /nfs/dbraw/zinc/28/73/69/327287369.db2.gz BVRABYTUQSHBEA-UKRRQHHQSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000173865655 327289953 /nfs/dbraw/zinc/28/99/53/327289953.db2.gz DZVWFSIMLZPGIG-OAHLLOKOSA-N 0 3 367.471 2.446 20 5 FEBDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178621318 327596282 /nfs/dbraw/zinc/59/62/82/327596282.db2.gz OBGFXGUHBYXCRF-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648955 327598147 /nfs/dbraw/zinc/59/81/47/327598147.db2.gz LNXPWDFXUVZLDP-PBHICJAKSA-N 0 3 351.472 2.453 20 5 FEBDHN CN(CC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000262390850 328863049 /nfs/dbraw/zinc/86/30/49/328863049.db2.gz OETZTYPNEAMYGT-INIZCTEOSA-N 0 3 354.410 2.034 20 5 FEBDHN COCCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000263809689 328964533 /nfs/dbraw/zinc/96/45/33/328964533.db2.gz WKNSZHQNVXLZRA-UHFFFAOYSA-N 0 3 366.418 2.226 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000264428948 329021981 /nfs/dbraw/zinc/02/19/81/329021981.db2.gz TZOZTRWBKJHKFH-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN CCOC(=O)c1ccnc(NC2CCN(CCCOC)CC2)c1[N+](=O)[O-] ZINC000265555672 329138544 /nfs/dbraw/zinc/13/85/44/329138544.db2.gz IENRPNMCHWPELS-UHFFFAOYSA-N 0 3 366.418 2.079 20 5 FEBDHN CS(=O)(=O)c1ccc(N2CC[C@@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000266276378 329207259 /nfs/dbraw/zinc/20/72/59/329207259.db2.gz SEXBRFCHXFFCNM-AWEZNQCLSA-N 0 3 367.471 2.311 20 5 FEBDHN CNC(=O)c1ccc(CN(C)CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000266563042 329236458 /nfs/dbraw/zinc/23/64/58/329236458.db2.gz YGEWXFYWNKIIGW-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266818013 329262576 /nfs/dbraw/zinc/26/25/76/329262576.db2.gz XIABUWWWCQTWIJ-GXTWGEPZSA-N 0 3 350.419 2.228 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CCCO)c2ccccc2)c1 ZINC000271760355 329722416 /nfs/dbraw/zinc/72/24/16/329722416.db2.gz HOJSYERXHWDMJA-IEBWSBKVSA-N 0 3 360.410 2.438 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273492072 329869048 /nfs/dbraw/zinc/86/90/48/329869048.db2.gz SQWMNRWQSPRFPS-CYBMUJFWSA-N 0 3 364.446 2.475 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000273660078 329882534 /nfs/dbraw/zinc/88/25/34/329882534.db2.gz HWKPDNBSFAFTTH-GXTWGEPZSA-N 0 3 354.432 2.113 20 5 FEBDHN COc1cc(CNC[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443513 330152334 /nfs/dbraw/zinc/15/23/34/330152334.db2.gz JAEVYVRTHWZUNR-ZYHUDNBSSA-N 0 3 360.357 2.498 20 5 FEBDHN COc1cc(CNC[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443495 330152378 /nfs/dbraw/zinc/15/23/78/330152378.db2.gz JAEVYVRTHWZUNR-JQWIXIFHSA-N 0 3 360.357 2.498 20 5 FEBDHN COC(=O)c1cnc(NCc2ccccc2OCCN(C)C)c([N+](=O)[O-])c1 ZINC000276630982 330172014 /nfs/dbraw/zinc/17/20/14/330172014.db2.gz WANMGDKZBZSPGS-UHFFFAOYSA-N 0 3 374.397 2.329 20 5 FEBDHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158574 330274012 /nfs/dbraw/zinc/27/40/12/330274012.db2.gz KAONZHUYWIONEC-CABZTGNLSA-N 0 3 372.219 2.310 20 5 FEBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(Cl)cc1 ZINC000555230340 674352738 /nfs/dbraw/zinc/35/27/38/674352738.db2.gz YWJOZSOHFGNXFS-GFCCVEGCSA-N 0 3 351.794 2.014 20 5 FEBDHN Cc1cnc(CCN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000157527737 545751846 /nfs/dbraw/zinc/75/18/46/545751846.db2.gz PVMDQNRPBURKJZ-AWEZNQCLSA-N 0 3 351.428 2.274 20 5 FEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000161306340 546117969 /nfs/dbraw/zinc/11/79/69/546117969.db2.gz YVXCYSWRDQQNNJ-CQSZACIVSA-N 0 3 355.398 2.139 20 5 FEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000161394059 546127094 /nfs/dbraw/zinc/12/70/94/546127094.db2.gz ANNPGOIDQHCMPR-AWEZNQCLSA-N 0 3 355.398 2.139 20 5 FEBDHN Cc1c(CNC(=O)NC[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000479687494 561195013 /nfs/dbraw/zinc/19/50/13/561195013.db2.gz FTYJDEBOGARQJL-MRXNPFEDSA-N 0 3 352.460 2.140 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175652676 546327840 /nfs/dbraw/zinc/32/78/40/546327840.db2.gz KSORSYVOJRALDI-UHFFFAOYSA-N 0 3 365.459 2.142 20 5 FEBDHN CCC(=O)c1ccc(NCCCN2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000479965304 561200363 /nfs/dbraw/zinc/20/03/63/561200363.db2.gz PSFSWTZZXBKJCR-AWEZNQCLSA-N 0 3 362.430 2.187 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176490935 546453478 /nfs/dbraw/zinc/45/34/78/546453478.db2.gz JUVHTEDSAIUOJR-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480754936 561216037 /nfs/dbraw/zinc/21/60/37/561216037.db2.gz LNVMDLUURSLACE-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000180747062 547172006 /nfs/dbraw/zinc/17/20/06/547172006.db2.gz NNPRTYIBWMWODO-HDICACEKSA-N 0 3 365.389 2.212 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866245 547197243 /nfs/dbraw/zinc/19/72/43/547197243.db2.gz REOXSDDYRZLNPN-YOEHRIQHSA-N 0 3 357.414 2.434 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000181162747 547261778 /nfs/dbraw/zinc/26/17/78/547261778.db2.gz OPNMNGZPTVJOQF-IGCXYCKISA-N 0 3 360.414 2.029 20 5 FEBDHN NC(=O)C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067208 547431296 /nfs/dbraw/zinc/43/12/96/547431296.db2.gz MKTFVEQIGCRSAX-SJORKVTESA-N 0 3 374.441 2.114 20 5 FEBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155265 547445288 /nfs/dbraw/zinc/44/52/88/547445288.db2.gz QPAGBKPFGVXSCH-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000183289513 547633894 /nfs/dbraw/zinc/63/38/94/547633894.db2.gz USQHEVBPRQJJCL-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN COc1cc(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000183293445 547634166 /nfs/dbraw/zinc/63/41/66/547634166.db2.gz UNXWPJLPYZPUAI-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000183297715 547635298 /nfs/dbraw/zinc/63/52/98/547635298.db2.gz MLBANIGJHSKUAK-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])s1 ZINC000183461435 547665463 /nfs/dbraw/zinc/66/54/63/547665463.db2.gz YIRRJRCUGNIPET-AWEZNQCLSA-N 0 3 361.423 2.153 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183782891 547718286 /nfs/dbraw/zinc/71/82/86/547718286.db2.gz BSCGCSUBJNHFMB-LJQANCHMSA-N 0 3 369.421 2.020 20 5 FEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185599828 548007157 /nfs/dbraw/zinc/00/71/57/548007157.db2.gz VCSSGSADSCAMPF-GFCCVEGCSA-N 0 3 366.443 2.152 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)(CO)CC1 ZINC000186893460 548214140 /nfs/dbraw/zinc/21/41/40/548214140.db2.gz NYBATGRRPOWGAT-UHFFFAOYSA-N 0 3 351.403 2.026 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCCC[C@H]1C ZINC000193948013 548412403 /nfs/dbraw/zinc/41/24/03/548412403.db2.gz HMMDPCAURPWWCH-CYBMUJFWSA-N 0 3 350.419 2.277 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2ccnn2CCO)CC1 ZINC000195509542 548653551 /nfs/dbraw/zinc/65/35/51/548653551.db2.gz JFISKEYRSJOFHB-UHFFFAOYSA-N 0 3 360.414 2.042 20 5 FEBDHN COc1ccc(-c2ccc(CNCCN3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000237426795 548824810 /nfs/dbraw/zinc/82/48/10/548824810.db2.gz CAOGBJSPTZVUNT-UHFFFAOYSA-N 0 3 361.398 2.285 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000245463354 548927391 /nfs/dbraw/zinc/92/73/91/548927391.db2.gz XHYKZBKIEZJUFS-DZGCQCFKSA-N 0 3 371.397 2.173 20 5 FEBDHN O=C1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000245805831 548997760 /nfs/dbraw/zinc/99/77/60/548997760.db2.gz PZVULDHPCQJSKA-KBXCAEBGSA-N 0 3 359.426 2.449 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000245992268 549032804 /nfs/dbraw/zinc/03/28/04/549032804.db2.gz QWPIXGVQNSCUTR-BBRMVZONSA-N 0 3 362.430 2.229 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246206406 549078363 /nfs/dbraw/zinc/07/83/63/549078363.db2.gz PAKPJOBDPZFBIK-HIFRSBDPSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000247042617 549271428 /nfs/dbraw/zinc/27/14/28/549271428.db2.gz MUSIXMJEYFMABT-GOEBONIOSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247324569 549318822 /nfs/dbraw/zinc/31/88/22/549318822.db2.gz IIAVQJLWRMOHTP-ZWNOBZJWSA-N 0 3 350.375 2.224 20 5 FEBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247687153 549371287 /nfs/dbraw/zinc/37/12/87/549371287.db2.gz SGAHHYFCFUHKHK-UWWQBHOKSA-N 0 3 360.414 2.114 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000248053653 549403516 /nfs/dbraw/zinc/40/35/16/549403516.db2.gz OCIJFRWXAPFRQR-RDJZCZTQSA-N 0 3 367.471 2.026 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCO[C@@H]1C ZINC000489442786 561411551 /nfs/dbraw/zinc/41/15/51/561411551.db2.gz WOTWPFQGDSRCBA-PBHICJAKSA-N 0 3 365.430 2.358 20 5 FEBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489508979 561413107 /nfs/dbraw/zinc/41/31/07/561413107.db2.gz KMNQJXNAQOGCBV-DZGCQCFKSA-N 0 3 354.403 2.108 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248975578 549534264 /nfs/dbraw/zinc/53/42/64/549534264.db2.gz DLDLHUNEDZDKHZ-ZFWWWQNUSA-N 0 3 363.414 2.363 20 5 FEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249149441 549561694 /nfs/dbraw/zinc/56/16/94/549561694.db2.gz XJPVCBQBWBJAOX-GXTWGEPZSA-N 0 3 363.414 2.363 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000250110072 549637697 /nfs/dbraw/zinc/63/76/97/549637697.db2.gz KALDQPUGGRSXPR-UONOGXRCSA-N 0 3 365.430 2.219 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252544376 549673921 /nfs/dbraw/zinc/67/39/21/549673921.db2.gz IDGHCBXMQDHTHW-WDEREUQCSA-N 0 3 357.208 2.027 20 5 FEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1NCCc2ccccc21 ZINC000262302655 549808722 /nfs/dbraw/zinc/80/87/22/549808722.db2.gz BRQIOYLYNCIMLB-INIZCTEOSA-N 0 3 355.394 2.367 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1OC ZINC000268293212 550045830 /nfs/dbraw/zinc/04/58/30/550045830.db2.gz ZTRUCXMKVBRAJH-BXUZGUMPSA-N 0 3 363.414 2.215 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000269124729 550158146 /nfs/dbraw/zinc/15/81/46/550158146.db2.gz WQDOUARFIWYPJZ-OCCSQVGLSA-N 0 3 363.414 2.168 20 5 FEBDHN COCCCN(C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269321930 550180894 /nfs/dbraw/zinc/18/08/94/550180894.db2.gz LWSHNZYHYZTWTA-UHFFFAOYSA-N 0 3 364.446 2.237 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707303 561457738 /nfs/dbraw/zinc/45/77/38/561457738.db2.gz NERQXIOQJPQNTI-DOTOQJQBSA-N 0 3 351.403 2.073 20 5 FEBDHN Cn1cc(CN2CCC3(CNC(=O)C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271167261 550347955 /nfs/dbraw/zinc/34/79/55/550347955.db2.gz GMEKGXCIKQTTMH-UHFFFAOYSA-N 0 3 369.425 2.097 20 5 FEBDHN CN(CCc1cnccn1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000272880084 550474798 /nfs/dbraw/zinc/47/47/98/550474798.db2.gz XQTIIVIFHFXDIR-UHFFFAOYSA-N 0 3 352.398 2.460 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274843104 550558741 /nfs/dbraw/zinc/55/87/41/550558741.db2.gz DHRMNVTXERFSOR-GOSISDBHSA-N 0 3 374.393 2.312 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277552136 550683634 /nfs/dbraw/zinc/68/36/34/550683634.db2.gz MPFYDQWJNKLVAM-OAHLLOKOSA-N 0 3 364.446 2.014 20 5 FEBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(C)CC1 ZINC000277670212 550699266 /nfs/dbraw/zinc/69/92/66/550699266.db2.gz HKTIILPEKGDFFA-ZDUSSCGKSA-N 0 3 374.445 2.391 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000277738176 550708275 /nfs/dbraw/zinc/70/82/75/550708275.db2.gz OUGKBBAJZHLLBO-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278760176 550819128 /nfs/dbraw/zinc/81/91/28/550819128.db2.gz KPUIFOHICUUSKZ-VBNZEHGJSA-N 0 3 351.403 2.096 20 5 FEBDHN COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000280482952 550998919 /nfs/dbraw/zinc/99/89/19/550998919.db2.gz PSUDLLJIAYHWAL-UHFFFAOYSA-N 0 3 365.386 2.007 20 5 FEBDHN CN1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1(C)C ZINC000281722253 551135072 /nfs/dbraw/zinc/13/50/72/551135072.db2.gz VMQLRJILHLFGMP-UHFFFAOYSA-N 0 3 361.368 2.447 20 5 FEBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000282524207 551242038 /nfs/dbraw/zinc/24/20/38/551242038.db2.gz PTBHQWWCIVLQRT-UHFFFAOYSA-N 0 3 359.220 2.331 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000282605247 551251084 /nfs/dbraw/zinc/25/10/84/551251084.db2.gz BQLOEFCSHYWDQW-MRXNPFEDSA-N 0 3 371.441 2.208 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000284448574 551551305 /nfs/dbraw/zinc/55/13/05/551551305.db2.gz QTTFJNNGLBEKDY-CABCVRRESA-N 0 3 353.444 2.111 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000285398874 551749879 /nfs/dbraw/zinc/74/98/79/551749879.db2.gz DXJZUBXNUXODQD-UJAVWCLSSA-N 0 3 359.348 2.461 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843100 551817877 /nfs/dbraw/zinc/81/78/77/551817877.db2.gz OUTJUOJFBPCNEN-HUUCEWRRSA-N 0 3 369.425 2.479 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021733 551839657 /nfs/dbraw/zinc/83/96/57/551839657.db2.gz ZOJRHVMZSDPKKG-TZMCWYRMSA-N 0 3 363.414 2.311 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286190709 551859194 /nfs/dbraw/zinc/85/91/94/551859194.db2.gz FCOQAUDFIUDITF-LBPRGKRZSA-N 0 3 364.475 2.285 20 5 FEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000286266317 551867462 /nfs/dbraw/zinc/86/74/62/551867462.db2.gz VUSWCKYSQUQVDL-MRXNPFEDSA-N 0 3 358.398 2.218 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733710 551920262 /nfs/dbraw/zinc/92/02/62/551920262.db2.gz OBRRFYZOZWKARN-RHSMWYFYSA-N 0 3 367.471 2.026 20 5 FEBDHN CNC(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287002578 551950373 /nfs/dbraw/zinc/95/03/73/551950373.db2.gz QCLGVIJAWHLFEE-ZDUSSCGKSA-N 0 3 364.402 2.134 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290107425 552428698 /nfs/dbraw/zinc/42/86/98/552428698.db2.gz QWZYBCSQXZIJQZ-GFCCVEGCSA-N 0 3 350.419 2.078 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290147527 552434821 /nfs/dbraw/zinc/43/48/21/552434821.db2.gz VNNIWCSLLVJIDX-LLVKDONJSA-N 0 3 370.837 2.423 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000290163054 552436933 /nfs/dbraw/zinc/43/69/33/552436933.db2.gz DLSRNXLBGGWGBK-UHFFFAOYSA-N 0 3 362.430 2.038 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000290219100 552443955 /nfs/dbraw/zinc/44/39/55/552443955.db2.gz JQIFMOKWRQEIKZ-MRXNPFEDSA-N 0 3 374.441 2.183 20 5 FEBDHN CC[C@H](O)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000291663607 552648593 /nfs/dbraw/zinc/64/85/93/552648593.db2.gz FKYASDFQYFGNNL-JTQLQIEISA-N 0 3 352.309 2.405 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@@H](CO)C1 ZINC000291820851 552664988 /nfs/dbraw/zinc/66/49/88/552664988.db2.gz NVFBBIXANPPLRX-GFCCVEGCSA-N 0 3 357.357 2.181 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294313157 552896151 /nfs/dbraw/zinc/89/61/51/552896151.db2.gz WLJAFVZHPPQXMS-SFHVURJKSA-N 0 3 364.421 2.358 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000294392692 552902713 /nfs/dbraw/zinc/90/27/13/552902713.db2.gz JXYPQCCCBFXMSS-WFASDCNBSA-N 0 3 364.421 2.356 20 5 FEBDHN CC[C@H]1CCCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039552 561610448 /nfs/dbraw/zinc/61/04/48/561610448.db2.gz CIRRJFNNWQVEKY-UONOGXRCSA-N 0 3 355.460 2.432 20 5 FEBDHN CC[C@H]1CCCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039550 561610482 /nfs/dbraw/zinc/61/04/82/561610482.db2.gz CIRRJFNNWQVEKY-KBPBESRZSA-N 0 3 355.460 2.432 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855137 561627954 /nfs/dbraw/zinc/62/79/54/561627954.db2.gz JNOVKKNKCYTXHF-SGMGOOAPSA-N 0 3 351.403 2.071 20 5 FEBDHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000503523003 561643597 /nfs/dbraw/zinc/64/35/97/561643597.db2.gz NPJKFYBNFZAMQI-TZMCWYRMSA-N 0 3 355.341 2.234 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113331 553517283 /nfs/dbraw/zinc/51/72/83/553517283.db2.gz ZDRMXGGLAYCDLY-CHWSQXEVSA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000299418810 553560713 /nfs/dbraw/zinc/56/07/13/553560713.db2.gz DQFFTCIVHDNSSE-GOSISDBHSA-N 0 3 371.441 2.443 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301300099 553639969 /nfs/dbraw/zinc/63/99/69/553639969.db2.gz ZLSITEBVKLJBFD-AWEZNQCLSA-N 0 3 364.402 2.368 20 5 FEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000302549358 553720760 /nfs/dbraw/zinc/72/07/60/553720760.db2.gz PTMSRUWDCBRMHL-LLVKDONJSA-N 0 3 359.373 2.478 20 5 FEBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000508440057 561762280 /nfs/dbraw/zinc/76/22/80/561762280.db2.gz FKPCJEQDCBDDBX-MRXNPFEDSA-N 0 3 356.430 2.455 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331992568 554359819 /nfs/dbraw/zinc/35/98/19/554359819.db2.gz WMOJLOLLGPQEJZ-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253162 554410536 /nfs/dbraw/zinc/41/05/36/554410536.db2.gz MILHXGSESGUVKZ-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN CN(CCc1nnnn1-c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511058388 561855363 /nfs/dbraw/zinc/85/53/63/561855363.db2.gz GEMRBNORULSALX-UHFFFAOYSA-N 0 3 352.398 2.288 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362863660 554994190 /nfs/dbraw/zinc/99/41/90/554994190.db2.gz VXAACCWDEPNJBP-NUEKZKHPSA-N 0 3 362.430 2.127 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000363679532 555162622 /nfs/dbraw/zinc/16/26/22/555162622.db2.gz VPNKHRZRGODTEW-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN CCC(=O)N1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363938002 555217932 /nfs/dbraw/zinc/21/79/32/555217932.db2.gz MVHJMEJIYSBQNF-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000364064031 555243425 /nfs/dbraw/zinc/24/34/25/555243425.db2.gz OYBRDPFCQAWKFW-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@H](NC1CCN(CC(=O)N2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000364341425 555294962 /nfs/dbraw/zinc/29/49/62/555294962.db2.gz SEHFCDMJBRSMMI-HNNXBMFYSA-N 0 3 360.458 2.332 20 5 FEBDHN CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000364560898 555338650 /nfs/dbraw/zinc/33/86/50/555338650.db2.gz BWMFLAJJYGTCOM-LPHOPBHVSA-N 0 3 354.410 2.342 20 5 FEBDHN Cc1ccc(NC(=O)N2CCCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000364629961 555357538 /nfs/dbraw/zinc/35/75/38/555357538.db2.gz MKVYRQRDIKPATQ-UHFFFAOYSA-N 0 3 350.419 2.214 20 5 FEBDHN Cc1cc(NC(=O)N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364632294 555358198 /nfs/dbraw/zinc/35/81/98/555358198.db2.gz PSSBOMKZFZFYJL-UHFFFAOYSA-N 0 3 350.419 2.214 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365026524 555468068 /nfs/dbraw/zinc/46/80/68/555468068.db2.gz LDGHKWSZIXAPMD-MRXNPFEDSA-N 0 3 369.425 2.062 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000365089501 555482652 /nfs/dbraw/zinc/48/26/52/555482652.db2.gz QRDMDZMRKCHTGL-AWEZNQCLSA-N 0 3 350.419 2.132 20 5 FEBDHN CC(C)c1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000513406234 561937030 /nfs/dbraw/zinc/93/70/30/561937030.db2.gz ONDUBBMKSJPUGW-UHFFFAOYSA-N 0 3 374.485 2.458 20 5 FEBDHN CC(C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000365928806 555703626 /nfs/dbraw/zinc/70/36/26/555703626.db2.gz POYPMWBREALELP-QGZVFWFLSA-N 0 3 363.462 2.465 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000366195527 555777993 /nfs/dbraw/zinc/77/79/93/555777993.db2.gz MLSAVWIIPITWNH-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000366550740 555874143 /nfs/dbraw/zinc/87/41/43/555874143.db2.gz GOTPVQSZXDLRHX-UONOGXRCSA-N 0 3 365.434 2.123 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651923 556105641 /nfs/dbraw/zinc/10/56/41/556105641.db2.gz YDEAFMHIPPKOAK-PBHICJAKSA-N 0 3 369.425 2.479 20 5 FEBDHN CCC(=O)N1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000368762919 556407787 /nfs/dbraw/zinc/40/77/87/556407787.db2.gz XHFOAXQKSGFFSJ-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370083590 556776376 /nfs/dbraw/zinc/77/63/76/556776376.db2.gz RLDPLKQSQSHMBF-CVEARBPZSA-N 0 3 360.458 2.001 20 5 FEBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000370147948 556794562 /nfs/dbraw/zinc/79/45/62/556794562.db2.gz HLTBPTDJCCXINX-YOEHRIQHSA-N 0 3 373.457 2.194 20 5 FEBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCNC[C@H]1c1cccc(F)c1 ZINC000370183440 556804701 /nfs/dbraw/zinc/80/47/01/556804701.db2.gz KYWLHCZIQSGDSL-INIZCTEOSA-N 0 3 369.356 2.397 20 5 FEBDHN COc1cc(C(=O)NC2CC(N3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000370195131 556807805 /nfs/dbraw/zinc/80/78/05/556807805.db2.gz SKHAXNYDMHDPJW-UHFFFAOYSA-N 0 3 363.414 2.359 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ccccc1[N+](=O)[O-] ZINC000370308937 556836549 /nfs/dbraw/zinc/83/65/49/556836549.db2.gz QKTLYPFSGDCTNS-UHFFFAOYSA-N 0 3 358.446 2.391 20 5 FEBDHN O=C(CCN1CCN([C@@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370412359 556865663 /nfs/dbraw/zinc/86/56/63/556865663.db2.gz AKKSGENVPJZOBP-MRXNPFEDSA-N 0 3 364.471 2.047 20 5 FEBDHN Cc1cc(C(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417985 556867185 /nfs/dbraw/zinc/86/71/85/556867185.db2.gz DRRYQNOFGPFMEX-CABCVRRESA-N 0 3 358.373 2.191 20 5 FEBDHN O=C(CCN1CCC[C@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370900960 557008200 /nfs/dbraw/zinc/00/82/00/557008200.db2.gz UVGRFAAGEQTKAF-HNNXBMFYSA-N 0 3 374.441 2.400 20 5 FEBDHN O=[N+]([O-])c1ccccc1CNC1CCC(N2CCCS2(=O)=O)CC1 ZINC000371087203 557070458 /nfs/dbraw/zinc/07/04/58/557070458.db2.gz MGQVQSUQXIFGGX-UHFFFAOYSA-N 0 3 353.444 2.031 20 5 FEBDHN O=c1c(F)cc([N+](=O)[O-])cn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000517370910 562087399 /nfs/dbraw/zinc/08/73/99/562087399.db2.gz NWIAZSICKFHYPJ-MRXNPFEDSA-N 0 3 361.373 2.187 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069347 562103634 /nfs/dbraw/zinc/10/36/34/562103634.db2.gz OJXMVSXURLWASG-STQMWFEESA-N 0 3 363.414 2.359 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000518103928 562104660 /nfs/dbraw/zinc/10/46/60/562104660.db2.gz MVLWIJPZOVYVGQ-KBPBESRZSA-N 0 3 362.430 2.221 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371645119 557249232 /nfs/dbraw/zinc/24/92/32/557249232.db2.gz FHYCLYOFAAWQMZ-HNNXBMFYSA-N 0 3 353.382 2.053 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517867689 562099434 /nfs/dbraw/zinc/09/94/34/562099434.db2.gz XASAQUIPHSLIBD-CYBMUJFWSA-N 0 3 355.822 2.431 20 5 FEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000519828431 562145779 /nfs/dbraw/zinc/14/57/79/562145779.db2.gz TZDIAQCVSZFKSG-LLVKDONJSA-N 0 3 365.789 2.454 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000374049501 557814031 /nfs/dbraw/zinc/81/40/31/557814031.db2.gz KFOCVWKLDMRXSM-ZDUSSCGKSA-N 0 3 358.402 2.230 20 5 FEBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC[C@@H]1C ZINC000520972474 562166780 /nfs/dbraw/zinc/16/67/80/562166780.db2.gz WBMNLXQEQCKGID-UONOGXRCSA-N 0 3 372.429 2.168 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000374917086 557950981 /nfs/dbraw/zinc/95/09/81/557950981.db2.gz XWYWZBUTPQETGE-MFKMUULPSA-N 0 3 355.341 2.362 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000375291357 558004931 /nfs/dbraw/zinc/00/49/31/558004931.db2.gz GRGZJOMFBVCAKI-UHFFFAOYSA-N 0 3 351.357 2.282 20 5 FEBDHN Cc1cccc(OC[C@@H](O)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000521436499 562176411 /nfs/dbraw/zinc/17/64/11/562176411.db2.gz ZNDLUJLYZYSLOV-HNNXBMFYSA-N 0 3 373.409 2.261 20 5 FEBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375963678 558106306 /nfs/dbraw/zinc/10/63/06/558106306.db2.gz KQLCNLYWIDFJLW-INIZCTEOSA-N 0 3 356.338 2.120 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000376450275 558174809 /nfs/dbraw/zinc/17/48/09/558174809.db2.gz PXGKDTHSFSGZLG-AWEZNQCLSA-N 0 3 360.458 2.402 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@]2(CCCCO2)C1 ZINC000376468319 558177169 /nfs/dbraw/zinc/17/71/69/558177169.db2.gz JZQASFZADKDXBQ-YJBOKZPZSA-N 0 3 350.415 2.370 20 5 FEBDHN COc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000521870725 562185317 /nfs/dbraw/zinc/18/53/17/562185317.db2.gz JHNDMHJSTDMEIK-QGZVFWFLSA-N 0 3 370.409 2.371 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3cccnn3)CC2)c([N+](=O)[O-])c1 ZINC000377393751 558332176 /nfs/dbraw/zinc/33/21/76/558332176.db2.gz UNFDNFCRBLHYTD-UHFFFAOYSA-N 0 3 358.358 2.052 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239624 558659812 /nfs/dbraw/zinc/65/98/12/558659812.db2.gz ZTOCLZOAYMCPFZ-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CCN(C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000524805336 562235404 /nfs/dbraw/zinc/23/54/04/562235404.db2.gz WKINZFQCRQPMAV-OAHLLOKOSA-N 0 3 363.462 2.441 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411228697 558856721 /nfs/dbraw/zinc/85/67/21/558856721.db2.gz RMNSCVIENLSVID-ZIAGYGMSSA-N 0 3 362.430 2.221 20 5 FEBDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799785 558965621 /nfs/dbraw/zinc/96/56/21/558965621.db2.gz XBHYEXMJYWKDLG-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN COCC(COC)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413481014 559111242 /nfs/dbraw/zinc/11/12/42/559111242.db2.gz SLPTYBHQYSCZEF-UHFFFAOYSA-N 0 3 374.441 2.235 20 5 FEBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000413974786 559144428 /nfs/dbraw/zinc/14/44/28/559144428.db2.gz FSRWFWYWCJLYEM-CRAIPNDOSA-N 0 3 372.425 2.190 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC000414463620 559165814 /nfs/dbraw/zinc/16/58/14/559165814.db2.gz KTJRSHNKYQKQHZ-STQMWFEESA-N 0 3 361.851 2.318 20 5 FEBDHN COC(=O)COc1ccc(CNCc2cc(C)cc(N)c2)cc1[N+](=O)[O-] ZINC000414958901 559197134 /nfs/dbraw/zinc/19/71/34/559197134.db2.gz DWYLXONGLFBMRP-UHFFFAOYSA-N 0 3 359.382 2.327 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415657829 559258841 /nfs/dbraw/zinc/25/88/41/559258841.db2.gz MWEGUBAKNPELBX-ZWNOBZJWSA-N 0 3 352.391 2.228 20 5 FEBDHN COc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000417177462 559351513 /nfs/dbraw/zinc/35/15/13/559351513.db2.gz CWTBXEQZBLGZTR-JKSUJKDBSA-N 0 3 370.409 2.240 20 5 FEBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325273 559357589 /nfs/dbraw/zinc/35/75/89/559357589.db2.gz BOZOPNGKBYDCFK-BBRMVZONSA-N 0 3 355.460 2.280 20 5 FEBDHN O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751678 559414000 /nfs/dbraw/zinc/41/40/00/559414000.db2.gz RPVADBYDTPRSDK-UKRRQHHQSA-N 0 3 368.384 2.481 20 5 FEBDHN CN1CCNC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420280827 559478627 /nfs/dbraw/zinc/47/86/27/559478627.db2.gz VEWPXQBJBUOWGA-MRXNPFEDSA-N 0 3 354.410 2.141 20 5 FEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCCC[NH2+]C1 ZINC000420449217 559487948 /nfs/dbraw/zinc/48/79/48/559487948.db2.gz NJMOWILSTHSAFW-JTQLQIEISA-N 0 3 367.349 2.034 20 5 FEBDHN CON1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421204672 559530872 /nfs/dbraw/zinc/53/08/72/559530872.db2.gz FVOXIVOUBLAYQU-SNVBAGLBSA-N 0 3 356.810 2.191 20 5 FEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000421377094 559540373 /nfs/dbraw/zinc/54/03/73/559540373.db2.gz HMAJOMYJJLPBHP-AWEZNQCLSA-N 0 3 353.444 2.161 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424038896 559652169 /nfs/dbraw/zinc/65/21/69/559652169.db2.gz MLVVTOGGETYEPL-GOEBONIOSA-N 0 3 359.357 2.309 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428002903 559767310 /nfs/dbraw/zinc/76/73/10/559767310.db2.gz AIRSUKZPLQCMGJ-CYBMUJFWSA-N 0 3 372.425 2.401 20 5 FEBDHN Nc1c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc(F)cc1[N+](=O)[O-] ZINC000428527966 559777430 /nfs/dbraw/zinc/77/74/30/559777430.db2.gz ZAMDVXMKVQWXLX-CQSZACIVSA-N 0 3 374.372 2.135 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999089 559787843 /nfs/dbraw/zinc/78/78/43/559787843.db2.gz RZQLDYXJVNAMAG-VKJFTORMSA-N 0 3 360.458 2.220 20 5 FEBDHN C[C@H](N)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430690303 559826458 /nfs/dbraw/zinc/82/64/58/559826458.db2.gz CWRIFHOGROPSAK-ZDUSSCGKSA-N 0 3 374.466 2.315 20 5 FEBDHN Cc1cc(OCC(=O)Nc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000430797216 559828444 /nfs/dbraw/zinc/82/84/44/559828444.db2.gz CSYYJNXRAQWMDA-UHFFFAOYSA-N 0 3 374.397 2.256 20 5 FEBDHN Cc1[n-]nc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000434649050 559904512 /nfs/dbraw/zinc/90/45/12/559904512.db2.gz SNIWEWDRURLJMU-UHFFFAOYSA-N 0 3 373.413 2.378 20 5 FEBDHN CCOC(=O)[C@]1(COC)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000439485412 559995628 /nfs/dbraw/zinc/99/56/28/559995628.db2.gz SLEGVPAWDZOXAX-GOSISDBHSA-N 0 3 366.414 2.265 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000447429533 560162126 /nfs/dbraw/zinc/16/21/26/560162126.db2.gz ZKOOIBZMUOHPJS-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN CN(C)CCOc1ccc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000447672741 560166526 /nfs/dbraw/zinc/16/65/26/560166526.db2.gz VCYSXRSRHKLDJA-UHFFFAOYSA-N 0 3 369.425 2.488 20 5 FEBDHN CN1CCN(CC2(C)CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000447691655 560167209 /nfs/dbraw/zinc/16/72/09/560167209.db2.gz UMQCBMQIVMDBKB-UHFFFAOYSA-N 0 3 372.473 2.325 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448032185 560176382 /nfs/dbraw/zinc/17/63/82/560176382.db2.gz UQYPHTCYPFQTCQ-INIZCTEOSA-N 0 3 363.462 2.426 20 5 FEBDHN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cccc21 ZINC000448490844 560188291 /nfs/dbraw/zinc/18/82/91/560188291.db2.gz DTOCBJYJGBKLEX-CQSZACIVSA-N 0 3 358.354 2.333 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H]1CN1CCCC1 ZINC000448831331 560201327 /nfs/dbraw/zinc/20/13/27/560201327.db2.gz QJLGJPRTYANJBU-MRXNPFEDSA-N 0 3 369.425 2.481 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000449322642 560225047 /nfs/dbraw/zinc/22/50/47/560225047.db2.gz YNJFSMMVDSEBEZ-DZGCQCFKSA-N 0 3 367.471 2.072 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449986042 560247286 /nfs/dbraw/zinc/24/72/86/560247286.db2.gz NPPFVLDMXPESEW-YVEFUNNKSA-N 0 3 357.414 2.397 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234063 560255146 /nfs/dbraw/zinc/25/51/46/560255146.db2.gz PPNHAQPLXRFWRO-CVEARBPZSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1nc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371278 560260347 /nfs/dbraw/zinc/26/03/47/560260347.db2.gz GBQMPDWMZMVSQK-ZIAGYGMSSA-N 0 3 363.462 2.409 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)nc1-c1ccc(F)cc1 ZINC000450617498 560268187 /nfs/dbraw/zinc/26/81/87/560268187.db2.gz RBQRQSULCNISTP-INIZCTEOSA-N 0 3 374.416 3.055 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476449 560309317 /nfs/dbraw/zinc/30/93/17/560309317.db2.gz FUZWIVVTFHXFSG-JLZZUVOBSA-N 0 3 363.414 2.335 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451499581 560310620 /nfs/dbraw/zinc/31/06/20/560310620.db2.gz MCCVPBUGMLYZTC-AMKSKSKJSA-N 0 3 351.403 2.191 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763677 560327255 /nfs/dbraw/zinc/32/72/55/560327255.db2.gz SXJGBOZAYJOHDX-GDBMZVCRSA-N 0 3 369.425 2.479 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452369902 560360827 /nfs/dbraw/zinc/36/08/27/560360827.db2.gz FFBXEZAODAWLEF-AEFFLSMTSA-N 0 3 363.458 2.127 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454066010 560426244 /nfs/dbraw/zinc/42/62/44/560426244.db2.gz HBQUERMVAZHFFJ-UHFFFAOYSA-N 0 3 368.821 2.177 20 5 FEBDHN COc1cc(C(=O)NC(C)(C)CN2CCCC2)cc([N+](=O)[O-])c1OC ZINC000457053232 560545969 /nfs/dbraw/zinc/54/59/69/560545969.db2.gz PCSRUSWVJIYQJL-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457129524 560551471 /nfs/dbraw/zinc/55/14/71/560551471.db2.gz VUTICUISHIFBDG-UHFFFAOYSA-N 0 3 369.425 2.014 20 5 FEBDHN C[C@H](NC(=O)NC[C@H](O)CN1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458890398 560654299 /nfs/dbraw/zinc/65/42/99/560654299.db2.gz OYHXSWOTYJEKAA-YOEHRIQHSA-N 0 3 364.446 2.048 20 5 FEBDHN COc1cc(CNCCc2cn(C)cn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459669999 560701408 /nfs/dbraw/zinc/70/14/08/560701408.db2.gz VFXYSLGEZODCEQ-UHFFFAOYSA-N 0 3 370.356 2.313 20 5 FEBDHN CCCN(CCN1CCCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000460371314 560742805 /nfs/dbraw/zinc/74/28/05/560742805.db2.gz GRLDSUTVLLOCDT-UHFFFAOYSA-N 0 3 366.466 2.089 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000464932839 560855274 /nfs/dbraw/zinc/85/52/74/560855274.db2.gz DUZUZNOGPNNLAW-CQSZACIVSA-N 0 3 367.471 2.389 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000467088053 560903282 /nfs/dbraw/zinc/90/32/82/560903282.db2.gz DIVCPKPYUCCILT-JQWIXIFHSA-N 0 3 361.489 2.316 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472628789 561031518 /nfs/dbraw/zinc/03/15/18/561031518.db2.gz JTUZZHJKRVVYOK-CQSZACIVSA-N 0 3 366.393 2.053 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@]1(C)CO ZINC000472633915 561031532 /nfs/dbraw/zinc/03/15/32/561031532.db2.gz UPNYVRWNBVMJIL-UXEPBGEESA-N 0 3 351.403 2.071 20 5 FEBDHN COC(=O)COc1ccc(CNC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000473995513 561063234 /nfs/dbraw/zinc/06/32/34/561063234.db2.gz NGWFVFXAHDGQBY-UHFFFAOYSA-N 0 3 356.378 2.404 20 5 FEBDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)CC1 ZINC000476653299 561125316 /nfs/dbraw/zinc/12/53/16/561125316.db2.gz CWHGZZRVYCSMSO-UHFFFAOYSA-N 0 3 372.429 2.111 20 5 FEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530811481 562424524 /nfs/dbraw/zinc/42/45/24/562424524.db2.gz SQGFRUVSNUAVKS-HXUWFJFHSA-N 0 3 369.421 2.190 20 5 FEBDHN COc1ccc(-c2ccc(CNCCc3ncn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000532034995 562464736 /nfs/dbraw/zinc/46/47/36/562464736.db2.gz DUMORJYCIREKSY-UHFFFAOYSA-N 0 3 357.370 2.324 20 5 FEBDHN Cc1c(CC(=O)Nc2cnccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000533040296 562496433 /nfs/dbraw/zinc/49/64/33/562496433.db2.gz OVJRCUBUIFRNEY-UHFFFAOYSA-N 0 3 369.425 2.231 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535433470 562558585 /nfs/dbraw/zinc/55/85/85/562558585.db2.gz OXZQHMZZLKOXGP-UHFFFAOYSA-N 0 3 371.441 2.306 20 5 FEBDHN COC(=O)c1cc(N2C[C@@H](SC)[C@H](N(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000536995812 562583880 /nfs/dbraw/zinc/58/38/80/562583880.db2.gz KVIUYMTZYPRQAD-ZIAGYGMSSA-N 0 3 353.444 2.172 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NC(=O)CN(C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC000604474377 568298991 /nfs/dbraw/zinc/29/89/91/568298991.db2.gz DICOHUCGRLJAKL-OAHLLOKOSA-N 0 3 365.430 2.434 20 5 FEBDHN CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736457961 598500345 /nfs/dbraw/zinc/50/03/45/598500345.db2.gz SQJCCNAFEXYSNK-GFCCVEGCSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736457961 598500347 /nfs/dbraw/zinc/50/03/47/598500347.db2.gz SQJCCNAFEXYSNK-GFCCVEGCSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736457961 598500349 /nfs/dbraw/zinc/50/03/49/598500349.db2.gz SQJCCNAFEXYSNK-GFCCVEGCSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736457961 598500350 /nfs/dbraw/zinc/50/03/50/598500350.db2.gz SQJCCNAFEXYSNK-GFCCVEGCSA-N 0 3 360.422 2.236 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000808355588 674456288 /nfs/dbraw/zinc/45/62/88/674456288.db2.gz LUMHHECXGWFQRJ-LBPRGKRZSA-N 0 3 361.439 2.441 20 5 FEBDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568808 608470207 /nfs/dbraw/zinc/47/02/07/608470207.db2.gz DCPNWJULRTZVKI-BDJLRTHQSA-N 0 3 354.370 2.159 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000560583256 674600858 /nfs/dbraw/zinc/60/08/58/674600858.db2.gz WPDOVEBFVSBXIL-ZFWWWQNUSA-N 0 3 355.460 2.368 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000561733481 674694522 /nfs/dbraw/zinc/69/45/22/674694522.db2.gz UQEIGRHNWUKOJY-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC1CCCC1 ZINC000813103264 674719660 /nfs/dbraw/zinc/71/96/60/674719660.db2.gz BJPPYGIJAPCWRL-LBPRGKRZSA-N 0 3 370.427 2.038 20 5 FEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)NC1CCCC1 ZINC000813103261 674719404 /nfs/dbraw/zinc/71/94/04/674719404.db2.gz BJPPYGIJAPCWRL-GFCCVEGCSA-N 0 3 370.427 2.038 20 5 FEBDHN CC(COC(=O)c1occc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813106902 674720430 /nfs/dbraw/zinc/72/04/30/674720430.db2.gz HNXVWGFLBIEQAI-LLVKDONJSA-N 0 3 353.352 2.076 20 5 FEBDHN CC(COC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[N+](=O)[O-] ZINC000813106555 674720664 /nfs/dbraw/zinc/72/06/64/674720664.db2.gz DJJFPSNUBFGWMH-VHSXEESVSA-N 0 3 371.187 2.010 20 5 FEBDHN COc1ccc(-n2ccnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110093 674721065 /nfs/dbraw/zinc/72/10/65/674721065.db2.gz ZHXVEEPTLOEPRM-LLVKDONJSA-N 0 3 351.384 2.181 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000563436431 674888080 /nfs/dbraw/zinc/88/80/80/674888080.db2.gz KVTONXDEWDXVMK-AWEZNQCLSA-N 0 3 355.460 2.135 20 5 FEBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC1CC1 ZINC000566120805 675183534 /nfs/dbraw/zinc/18/35/34/675183534.db2.gz PTTSFEYRZYUKSO-UHFFFAOYSA-N 0 3 356.444 2.163 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000610135394 675956213 /nfs/dbraw/zinc/95/62/13/675956213.db2.gz RCWVQNIBOYHXMA-KBPBESRZSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1cc(CNCC2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000610468009 675973599 /nfs/dbraw/zinc/97/35/99/675973599.db2.gz CARMDIFQMAJVJV-UHFFFAOYSA-N 0 3 364.320 2.407 20 5 FEBDHN CCCCCCNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174837389 672363824 /nfs/dbraw/zinc/36/38/24/672363824.db2.gz QANRXFYPUWZFND-HNNXBMFYSA-N 0 3 351.451 2.200 20 5 FEBDHN COc1cc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1[O-] ZINC000589938573 672549370 /nfs/dbraw/zinc/54/93/70/672549370.db2.gz WBKKPXJNSFLAOY-TVQRCGJNSA-N 0 3 350.293 2.245 20 5 FEBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045371 672555978 /nfs/dbraw/zinc/55/59/78/672555978.db2.gz QEHKSHNBZMFHDX-HZMBPMFUSA-N 0 3 368.231 2.442 20 5 FEBDHN Cc1c(Br)cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045375 672556038 /nfs/dbraw/zinc/55/60/38/672556038.db2.gz QEHKSHNBZMFHDX-IINYFYTJSA-N 0 3 368.231 2.442 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000592241828 672776231 /nfs/dbraw/zinc/77/62/31/672776231.db2.gz JYSDHIICTFRQIP-GFCCVEGCSA-N 0 3 356.220 2.427 20 5 FEBDHN [NH3+]CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000238022940 672814708 /nfs/dbraw/zinc/81/47/08/672814708.db2.gz LUDIOOHUGZJOAT-UHFFFAOYSA-N 0 3 367.349 2.163 20 5 FEBDHN CC[N@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593627255 672962198 /nfs/dbraw/zinc/96/21/98/672962198.db2.gz OVJZITSASDTHEO-UHFFFAOYSA-N 0 3 370.475 2.313 20 5 FEBDHN CC[N@@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593627255 672962199 /nfs/dbraw/zinc/96/21/99/672962199.db2.gz OVJZITSASDTHEO-UHFFFAOYSA-N 0 3 370.475 2.313 20 5 FEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594043871 673024595 /nfs/dbraw/zinc/02/45/95/673024595.db2.gz PBBFPQPGPVEEQK-ZFWWWQNUSA-N 0 3 351.403 2.479 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000594198717 673043247 /nfs/dbraw/zinc/04/32/47/673043247.db2.gz VIZVKSPSZAUUCI-KBPBESRZSA-N 0 3 351.378 2.489 20 5 FEBDHN CCC(C)(C)N1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000594390338 673066665 /nfs/dbraw/zinc/06/66/65/673066665.db2.gz VIXLXABTCMZNOL-UHFFFAOYSA-N 0 3 351.451 2.131 20 5 FEBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959474 673181146 /nfs/dbraw/zinc/18/11/46/673181146.db2.gz DKPJEQGGWKLWEZ-FPJCUDJDSA-N 0 3 354.428 2.145 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1cn3c(n1)SCC3)OCCO2 ZINC000613424055 676128519 /nfs/dbraw/zinc/12/85/19/676128519.db2.gz XEOFWQRLFPHBLL-UHFFFAOYSA-N 0 3 362.411 2.001 20 5 FEBDHN O=c1[n-]ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000596132223 673361949 /nfs/dbraw/zinc/36/19/49/673361949.db2.gz VCDBQHAKZOPTAD-SECBINFHSA-N 0 3 362.415 2.240 20 5 FEBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000598536232 673579944 /nfs/dbraw/zinc/57/99/44/673579944.db2.gz PFWBANJMHYKFAV-ZDUSSCGKSA-N 0 3 353.444 2.372 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000598572014 673584988 /nfs/dbraw/zinc/58/49/88/673584988.db2.gz JYSDHIICTFRQIP-LBPRGKRZSA-N 0 3 356.220 2.427 20 5 FEBDHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106543 673633704 /nfs/dbraw/zinc/63/37/04/673633704.db2.gz VEVPHYPNOWWLEN-IUCAKERBSA-N 0 3 367.349 2.032 20 5 FEBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)CC3(O)CCC3)CC2)cc1 ZINC000599302222 673655890 /nfs/dbraw/zinc/65/58/90/673655890.db2.gz AWZPTVUUYBRASA-OAHLLOKOSA-N 0 3 350.415 2.104 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543838864 673673754 /nfs/dbraw/zinc/67/37/54/673673754.db2.gz HGKQHBXVTASGLM-OAHLLOKOSA-N 0 3 351.403 2.073 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625080 673698864 /nfs/dbraw/zinc/69/88/64/673698864.db2.gz LHIXCMIYKPYVGK-RHPZDQPFSA-N 0 3 351.403 2.334 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625075 673698868 /nfs/dbraw/zinc/69/88/68/673698868.db2.gz LHIXCMIYKPYVGK-JJHQXXDFSA-N 0 3 351.403 2.334 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599632326 673700095 /nfs/dbraw/zinc/70/00/95/673700095.db2.gz ZRWUWRXZCYGRLG-PJGQNWHFSA-N 0 3 365.455 2.217 20 5 FEBDHN C[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587955 675304468 /nfs/dbraw/zinc/30/44/68/675304468.db2.gz DKYDAFWEIMBHGK-GZMMTYOYSA-N 0 3 362.167 2.466 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000827445366 675756461 /nfs/dbraw/zinc/75/64/61/675756461.db2.gz MVJXTXPDTHLGSM-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827620 680273780 /nfs/dbraw/zinc/27/37/80/680273780.db2.gz KPXAPFMSLVKQCO-AAEUAGOBSA-N 0 3 361.423 2.399 20 5 FEBDHN CS[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000778402989 681608373 /nfs/dbraw/zinc/60/83/73/681608373.db2.gz MCLJCINCSQIGTF-CHWSQXEVSA-N 0 3 359.398 2.191 20 5 FEBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c(F)c1F ZINC000916073795 685520994 /nfs/dbraw/zinc/52/09/94/685520994.db2.gz XDPUSYCNFVMYQE-AWEZNQCLSA-N 0 3 362.354 2.068 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917908865 685535622 /nfs/dbraw/zinc/53/56/22/685535622.db2.gz KDYDLMFIRHVIMY-RYUDHWBXSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917908865 685535623 /nfs/dbraw/zinc/53/56/23/685535623.db2.gz KDYDLMFIRHVIMY-RYUDHWBXSA-N 0 3 359.835 2.153 20 5 FEBDHN O=C(CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859886397 683168657 /nfs/dbraw/zinc/16/86/57/683168657.db2.gz COAORGKIZZUTJD-UXGGDIESSA-N 0 3 369.418 2.048 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928446091 683453360 /nfs/dbraw/zinc/45/33/60/683453360.db2.gz VDHVHERKRCQDQE-BXUZGUMPSA-N 0 3 353.444 2.156 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H](O)C23CCOCC3)ccc1Br ZINC000923024013 683822074 /nfs/dbraw/zinc/82/20/74/683822074.db2.gz NKEGIUYWUJQFGV-KGLIPLIRSA-N 0 3 371.231 2.377 20 5 FEBDHN CN1CCN(C2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)CC1 ZINC000866214852 684083529 /nfs/dbraw/zinc/08/35/29/684083529.db2.gz RYZLOVPGGBVGIY-UHFFFAOYSA-N 0 3 361.471 2.421 20 5 FEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308470 684243498 /nfs/dbraw/zinc/24/34/98/684243498.db2.gz KBLLXHDEZMYQSZ-GZMMTYOYSA-N 0 3 365.814 2.100 20 5 FEBDHN COC(=O)C[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000932109765 684409364 /nfs/dbraw/zinc/40/93/64/684409364.db2.gz ZESZEQOQEJZKLI-CHWSQXEVSA-N 0 3 352.387 2.113 20 5 FEBDHN Cn1ncc(CCCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000877550632 686407541 /nfs/dbraw/zinc/40/75/41/686407541.db2.gz KJXKFYVMQDJEMG-UHFFFAOYSA-N 0 3 360.237 2.270 20 5 FEBDHN O=C(CCN1CC[C@](CO)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886804324 688315499 /nfs/dbraw/zinc/31/54/99/688315499.db2.gz VOVCFVISPKFLHP-AWEZNQCLSA-N 0 3 361.320 2.170 20 5 FEBDHN COCCN1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900382608 690509637 /nfs/dbraw/zinc/50/96/37/690509637.db2.gz GXYMBVNZRCHPBO-UHFFFAOYSA-N 0 3 359.785 2.228 20 5 FEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900647922 690543068 /nfs/dbraw/zinc/54/30/68/690543068.db2.gz UVFHCXASXANKRA-UHFFFAOYSA-N 0 3 372.828 2.097 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900719353 690553044 /nfs/dbraw/zinc/55/30/44/690553044.db2.gz GTERYSAAPYVAJN-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000041442470 540022052 /nfs/dbraw/zinc/02/20/52/540022052.db2.gz SBPPWSASOMFCJQ-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047144363 540292491 /nfs/dbraw/zinc/29/24/91/540292491.db2.gz YIZPWXAJXGQZIP-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000048845086 540374941 /nfs/dbraw/zinc/37/49/41/540374941.db2.gz GIIZMQKLJKBZOX-UHFFFAOYSA-N 0 3 372.425 2.255 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Cc2ccncc2)C1 ZINC000359872602 223134226 /nfs/dbraw/zinc/13/42/26/223134226.db2.gz OPYXUNYYBMUTKP-IAGOWNOFSA-N 0 3 357.410 2.294 20 5 FEBDHN C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000062047477 541143939 /nfs/dbraw/zinc/14/39/39/541143939.db2.gz GIQZQCLZQXTPLD-HUUCEWRRSA-N 0 3 363.462 2.426 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000065601998 541247840 /nfs/dbraw/zinc/24/78/40/541247840.db2.gz IKQJYMSSRRAPCZ-AWEZNQCLSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247388584 549327087 /nfs/dbraw/zinc/32/70/87/549327087.db2.gz LXBYZKTWJKNMKA-CXAGYDPISA-N 0 3 357.414 2.193 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067764256 541510184 /nfs/dbraw/zinc/51/01/84/541510184.db2.gz IKQJYMSSRRAPCZ-CQSZACIVSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068305688 541574568 /nfs/dbraw/zinc/57/45/68/541574568.db2.gz ZDBBKRQHAWMABM-UONOGXRCSA-N 0 3 363.414 2.023 20 5 FEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000071063401 541762050 /nfs/dbraw/zinc/76/20/50/541762050.db2.gz SDCPAZLTXIWPTD-INIZCTEOSA-N 0 3 355.394 2.364 20 5 FEBDHN Cc1ccc(NC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000072600657 541835721 /nfs/dbraw/zinc/83/57/21/541835721.db2.gz METDQEQBXONNRC-SFHVURJKSA-N 0 3 359.430 2.037 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000075632390 542193813 /nfs/dbraw/zinc/19/38/13/542193813.db2.gz XFPXREUVFCRPNV-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000075719857 542200588 /nfs/dbraw/zinc/20/05/88/542200588.db2.gz OADPYXSAHAIGNS-AWEZNQCLSA-N 0 3 367.471 2.437 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000075719854 542200603 /nfs/dbraw/zinc/20/06/03/542200603.db2.gz OADPYXSAHAIGNS-CQSZACIVSA-N 0 3 367.471 2.437 20 5 FEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078455105 542461983 /nfs/dbraw/zinc/46/19/83/542461983.db2.gz LHPZHXGQKCZNSI-HNNXBMFYSA-N 0 3 357.414 2.337 20 5 FEBDHN O=[N+]([O-])c1ccc2oc(CN3CCN(CC4CCOCC4)CC3)nc2c1 ZINC000083199123 542693818 /nfs/dbraw/zinc/69/38/18/542693818.db2.gz WODIPTADDKYXEX-UHFFFAOYSA-N 0 3 360.414 2.280 20 5 FEBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@@H](C)O1 ZINC000102648596 543075589 /nfs/dbraw/zinc/07/55/89/543075589.db2.gz QSUOGHTUGYDLNQ-CHWSQXEVSA-N 0 3 351.403 2.149 20 5 FEBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000104314876 543128161 /nfs/dbraw/zinc/12/81/61/543128161.db2.gz PCYIJPMWOWWZSA-UHFFFAOYSA-N 0 3 351.451 2.221 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107874087 543280325 /nfs/dbraw/zinc/28/03/25/543280325.db2.gz ZZCFQKIRVZXKQX-INIZCTEOSA-N 0 3 360.414 2.010 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108406247 543289440 /nfs/dbraw/zinc/28/94/40/543289440.db2.gz JHNVHDOOGKHXHL-LLVKDONJSA-N 0 3 361.851 2.177 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H](C)N(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110347767 543356039 /nfs/dbraw/zinc/35/60/39/543356039.db2.gz UWQKUFOUIXNSCX-AWEZNQCLSA-N 0 3 373.457 2.435 20 5 FEBDHN COc1ccc(CNC[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123135825 543744998 /nfs/dbraw/zinc/74/49/98/543744998.db2.gz YEELVTVHDYATPV-AWEZNQCLSA-N 0 3 350.346 2.272 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000143139901 544419875 /nfs/dbraw/zinc/41/98/75/544419875.db2.gz LOLKEZFABKWFBG-QGZVFWFLSA-N 0 3 357.414 2.053 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1C ZINC000151636095 544564412 /nfs/dbraw/zinc/56/44/12/544564412.db2.gz MMADNHHGBLZCEL-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000152571525 544669884 /nfs/dbraw/zinc/66/98/84/544669884.db2.gz QQCRABCUBYMKJO-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1C ZINC000247525057 549350372 /nfs/dbraw/zinc/35/03/72/549350372.db2.gz OLRRIKOLSCPOKV-GDBMZVCRSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C ZINC000152883653 544706093 /nfs/dbraw/zinc/70/60/93/544706093.db2.gz KWLFVIICBURVSJ-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152916231 544710335 /nfs/dbraw/zinc/71/03/35/544710335.db2.gz SPIXQLNHFIBVCX-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)c1 ZINC000153477853 544781218 /nfs/dbraw/zinc/78/12/18/544781218.db2.gz ZILUZRBZDGBEDM-QGZVFWFLSA-N 0 3 367.471 2.375 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000154917270 544965195 /nfs/dbraw/zinc/96/51/95/544965195.db2.gz UTAGCGAYNLBZQU-INIZCTEOSA-N 0 3 367.471 2.232 20 5 FEBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180828325 327703484 /nfs/dbraw/zinc/70/34/84/327703484.db2.gz UECGLXKBCXDETC-OAHLLOKOSA-N 0 3 371.393 2.226 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccccc1 ZINC000183669678 327829877 /nfs/dbraw/zinc/82/98/77/327829877.db2.gz BDMWTDBZMWFXOQ-INIZCTEOSA-N 0 3 359.382 2.255 20 5 FEBDHN COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000186775801 327981733 /nfs/dbraw/zinc/98/17/33/327981733.db2.gz USGQHIJPGCNTHH-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)N(C)C ZINC000188208407 328073364 /nfs/dbraw/zinc/07/33/64/328073364.db2.gz BXKPDLBWSCPPLW-HNNXBMFYSA-N 0 3 373.475 2.248 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000188821500 328112638 /nfs/dbraw/zinc/11/26/38/328112638.db2.gz JRCBDUXYQMGACC-UHFFFAOYSA-N 0 3 363.462 2.441 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000191985999 328291990 /nfs/dbraw/zinc/29/19/90/328291990.db2.gz IJROCWAGYVOMSD-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(CCc2ccccc2)CC1 ZINC000192808758 328340850 /nfs/dbraw/zinc/34/08/50/328340850.db2.gz ZRNSYZAGZZFKRP-UHFFFAOYSA-N 0 3 369.425 2.208 20 5 FEBDHN COCc1nc2n(n1)C[C@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019697 328352508 /nfs/dbraw/zinc/35/25/08/328352508.db2.gz CHHNQOZLOFMRIV-CJNGLKHVSA-N 0 3 357.414 2.315 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000193293362 328367210 /nfs/dbraw/zinc/36/72/10/328367210.db2.gz NPDQSWRXNRGWFH-WDEREUQCSA-N 0 3 361.851 2.352 20 5 FEBDHN CCOC1CC(CNCc2csc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000195461069 328478815 /nfs/dbraw/zinc/47/88/15/328478815.db2.gz BPUIYEGOAXOZOZ-UHFFFAOYSA-N 0 3 355.460 2.016 20 5 FEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078351260 325043502 /nfs/dbraw/zinc/04/35/02/325043502.db2.gz FTBGEOWSNXVDCZ-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000083025686 325210203 /nfs/dbraw/zinc/21/02/03/325210203.db2.gz WJTYTIUSLKUWCA-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1ccc(NCCCNC(=O)[C@@H](N)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000237667397 328524303 /nfs/dbraw/zinc/52/43/03/328524303.db2.gz PVKLOXCJPOTUMK-INIZCTEOSA-N 0 3 356.426 2.391 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000083992004 325227220 /nfs/dbraw/zinc/22/72/20/325227220.db2.gz IUFJAILYUOSXJQ-NSHDSACASA-N 0 3 361.851 2.271 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(C[C@@H]4CCOC4)CC3)co2)cc1 ZINC000089908503 325341964 /nfs/dbraw/zinc/34/19/64/325341964.db2.gz MVPYIODYQOUYDB-HNNXBMFYSA-N 0 3 372.425 2.404 20 5 FEBDHN CN(CCN1CCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000103120289 325507284 /nfs/dbraw/zinc/50/72/84/325507284.db2.gz RZFTUDPENWHRDB-UHFFFAOYSA-N 0 3 360.458 2.365 20 5 FEBDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000118098490 326080321 /nfs/dbraw/zinc/08/03/21/326080321.db2.gz OOADEHQQUIUCSZ-OAHLLOKOSA-N 0 3 350.419 2.016 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000118787471 326102734 /nfs/dbraw/zinc/10/27/34/326102734.db2.gz HCFWAOWFGKOOGX-CQSZACIVSA-N 0 3 363.462 2.298 20 5 FEBDHN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290819 326247223 /nfs/dbraw/zinc/24/72/23/326247223.db2.gz VANQSHXDTUPKOJ-CYBMUJFWSA-N 0 3 373.450 2.380 20 5 FEBDHN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290819 326247225 /nfs/dbraw/zinc/24/72/25/326247225.db2.gz VANQSHXDTUPKOJ-CYBMUJFWSA-N 0 3 373.450 2.380 20 5 FEBDHN COCCCN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122059783 326382206 /nfs/dbraw/zinc/38/22/06/326382206.db2.gz WSLDEKNQFQCNDC-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152408559 326706510 /nfs/dbraw/zinc/70/65/10/326706510.db2.gz RQIDJAUNUZJMLN-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152829684 326717405 /nfs/dbraw/zinc/71/74/05/326717405.db2.gz YHRVXYUMMAHFGF-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000154286557 326755945 /nfs/dbraw/zinc/75/59/45/326755945.db2.gz FRCGQXJBPIGIRD-UHFFFAOYSA-N 0 3 371.434 2.291 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171454235 327140403 /nfs/dbraw/zinc/14/04/03/327140403.db2.gz BLEMQIIYHBTBNF-CYBMUJFWSA-N 0 3 362.386 2.430 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)cc1C ZINC000173088586 327234567 /nfs/dbraw/zinc/23/45/67/327234567.db2.gz YOFAMJXSNMKISD-UHFFFAOYSA-N 0 3 355.460 2.222 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000173288031 327247202 /nfs/dbraw/zinc/24/72/02/327247202.db2.gz ZBCBTTYWWAPNAI-GOEBONIOSA-N 0 3 360.414 2.007 20 5 FEBDHN C[C@H](NCCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173312806 327249112 /nfs/dbraw/zinc/24/91/12/327249112.db2.gz AODAEQOJWRBFPX-INIZCTEOSA-N 0 3 370.457 2.248 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000173665878 327274900 /nfs/dbraw/zinc/27/49/00/327274900.db2.gz SERFDKRTWFKFKR-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173827689 327287087 /nfs/dbraw/zinc/28/70/87/327287087.db2.gz ILAWRDCIHDWZDI-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N(CC)CC)C1 ZINC000173989720 327300047 /nfs/dbraw/zinc/30/00/47/327300047.db2.gz ZQBLAFWTLJJLOE-HNNXBMFYSA-N 0 3 355.460 2.262 20 5 FEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732999 327346625 /nfs/dbraw/zinc/34/66/25/327346625.db2.gz RLQANRYEYCVARS-ZWNOBZJWSA-N 0 3 356.329 2.104 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000175117003 327375070 /nfs/dbraw/zinc/37/50/70/327375070.db2.gz IQEWBYGCODFDQZ-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN COc1cc(CCNC(=O)C[C@@H](N)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178807749 327608217 /nfs/dbraw/zinc/60/82/17/327608217.db2.gz OSJMYFNXIUFHIX-OAHLLOKOSA-N 0 3 373.409 2.361 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262015240 328835681 /nfs/dbraw/zinc/83/56/81/328835681.db2.gz RDJVRSDBTKUYHU-JKSUJKDBSA-N 0 3 354.410 2.268 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264854260 329067945 /nfs/dbraw/zinc/06/79/45/329067945.db2.gz CVBUKXFPXMBASI-AWEZNQCLSA-N 0 3 373.457 2.080 20 5 FEBDHN Cc1ccnc(NCc2cccc(C(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000265278775 329109948 /nfs/dbraw/zinc/10/99/48/329109948.db2.gz VWDGOKOOQSFTSK-UHFFFAOYSA-N 0 3 357.414 2.202 20 5 FEBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000265928711 329173466 /nfs/dbraw/zinc/17/34/66/329173466.db2.gz OHYCEZNDAGNUEP-UHFFFAOYSA-N 0 3 353.422 2.353 20 5 FEBDHN COc1cc(C(=O)NC[C@H](CC(C)C)N(C)C)cc([N+](=O)[O-])c1OC ZINC000265952225 329175846 /nfs/dbraw/zinc/17/58/46/329175846.db2.gz MUCVSORYEFNQCK-ZDUSSCGKSA-N 0 3 353.419 2.318 20 5 FEBDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@H](C)O1 ZINC000267368893 329319771 /nfs/dbraw/zinc/31/97/71/329319771.db2.gz FKBAIZIYNSQOGE-KBPBESRZSA-N 0 3 364.446 2.274 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524583 329335449 /nfs/dbraw/zinc/33/54/49/329335449.db2.gz RMWMYZUPILEEHP-SWLSCSKDSA-N 0 3 357.414 2.409 20 5 FEBDHN CC1(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000268099923 329385203 /nfs/dbraw/zinc/38/52/03/329385203.db2.gz KNQAJUGWBRULSM-UHFFFAOYSA-N 0 3 363.414 2.398 20 5 FEBDHN Cc1nc(NCc2cccc(C(=O)NCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000268470949 329423494 /nfs/dbraw/zinc/42/34/94/329423494.db2.gz JLVXOHIPQHYWRO-UHFFFAOYSA-N 0 3 357.414 2.202 20 5 FEBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269505870 329526689 /nfs/dbraw/zinc/52/66/89/329526689.db2.gz YZFLPRNPBHRVOK-SECBINFHSA-N 0 3 369.365 2.232 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1=O ZINC000270376490 329595392 /nfs/dbraw/zinc/59/53/92/329595392.db2.gz VDSQLHGVKBXHKK-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](N2CCCCC2)C1 ZINC000270718693 329625323 /nfs/dbraw/zinc/62/53/23/329625323.db2.gz FALZOPSEUIBGDD-HNNXBMFYSA-N 0 3 369.425 2.481 20 5 FEBDHN CN(C)CCOc1cc(CNc2nc3sccn3c2[N+](=O)[O-])ccn1 ZINC000270743727 329627583 /nfs/dbraw/zinc/62/75/83/329627583.db2.gz VTTMPVBJZGSXJH-UHFFFAOYSA-N 0 3 362.415 2.252 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CC=CC2)C1 ZINC000272457602 329782733 /nfs/dbraw/zinc/78/27/33/329782733.db2.gz GTVACCCDRFTISO-HNNXBMFYSA-N 0 3 364.833 2.446 20 5 FEBDHN COc1ccc(NC(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000272827468 329815791 /nfs/dbraw/zinc/81/57/91/329815791.db2.gz MEPSFTQXRFHRAV-HNNXBMFYSA-N 0 3 354.432 2.162 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274037358 329910350 /nfs/dbraw/zinc/91/03/50/329910350.db2.gz MZBHILJITOBGKZ-HOTGVXAUSA-N 0 3 364.471 2.045 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217309 330231443 /nfs/dbraw/zinc/23/14/43/330231443.db2.gz LVXWBBMKWJGRME-FHLIZLRMSA-N 0 3 358.442 2.259 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C1CCN(C)CC1 ZINC000371457495 330244138 /nfs/dbraw/zinc/24/41/38/330244138.db2.gz IOOJZTBPQBWRDN-CDVVCGDMSA-N 0 3 372.469 2.235 20 5 FEBDHN CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000554586513 674324942 /nfs/dbraw/zinc/32/49/42/674324942.db2.gz ZTRAYODIRIFUAE-UHFFFAOYSA-N 0 3 361.851 2.258 20 5 FEBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(Cl)cc1 ZINC000555230342 674352707 /nfs/dbraw/zinc/35/27/07/674352707.db2.gz YWJOZSOHFGNXFS-LBPRGKRZSA-N 0 3 351.794 2.014 20 5 FEBDHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156335399 545619238 /nfs/dbraw/zinc/61/92/38/545619238.db2.gz PSOXSIGBDSQBHG-INIZCTEOSA-N 0 3 369.487 2.382 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1C ZINC000158422713 545859246 /nfs/dbraw/zinc/85/92/46/545859246.db2.gz LEVCSZOABGJFSX-ZIAGYGMSSA-N 0 3 357.414 2.335 20 5 FEBDHN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN2CCC[C@H]2C1 ZINC000159076392 545919740 /nfs/dbraw/zinc/91/97/40/545919740.db2.gz CMQLUCPHEDBDNL-JTQLQIEISA-N 0 3 354.204 2.278 20 5 FEBDHN Cc1ccc(NCCCNC(=O)C2(N)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000160482856 546045638 /nfs/dbraw/zinc/04/56/38/546045638.db2.gz OIKSEUNNBOCLAB-UHFFFAOYSA-N 0 3 368.437 2.318 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183436 546417488 /nfs/dbraw/zinc/41/74/88/546417488.db2.gz DUUBKWQFYHCVPG-GOEBONIOSA-N 0 3 364.446 2.374 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480759957 561216135 /nfs/dbraw/zinc/21/61/35/561216135.db2.gz QMRNNZOZDHWSBH-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN COc1cc(C)c([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000179619143 546988344 /nfs/dbraw/zinc/98/83/44/546988344.db2.gz XUMTYDGEGQTPEQ-ZDUSSCGKSA-N 0 3 361.398 2.433 20 5 FEBDHN CC[C@H]1Oc2cc([C@H](C)NCCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004660 547037429 /nfs/dbraw/zinc/03/74/29/547037429.db2.gz XJNAHBSTVSSLGG-XHDPSFHLSA-N 0 3 359.386 2.252 20 5 FEBDHN CC(C)(C)N1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184238449 547792942 /nfs/dbraw/zinc/79/29/42/547792942.db2.gz MCMNXWNCXNIEPH-UHFFFAOYSA-N 0 3 355.460 2.277 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000184570409 547848060 /nfs/dbraw/zinc/84/80/60/547848060.db2.gz XFOXNBZCJOGMFC-HIFRSBDPSA-N 0 3 355.460 2.087 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179089 547946496 /nfs/dbraw/zinc/94/64/96/547946496.db2.gz NWKWMNUCDBMINL-TZMCWYRMSA-N 0 3 353.394 2.064 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185180453 547947810 /nfs/dbraw/zinc/94/78/10/547947810.db2.gz YIVKLQGCJJASKI-CJNGLKHVSA-N 0 3 354.410 2.427 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)CC(C)C ZINC000193948786 548412615 /nfs/dbraw/zinc/41/26/15/548412615.db2.gz OMTGSMFTDCIPGM-UHFFFAOYSA-N 0 3 352.435 2.333 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865013 561358479 /nfs/dbraw/zinc/35/84/79/561358479.db2.gz HDHGCXZEAVMGQU-DGCLKSJQSA-N 0 3 364.402 2.294 20 5 FEBDHN CC[C@@H](C)NC(=O)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236872215 548785738 /nfs/dbraw/zinc/78/57/38/548785738.db2.gz UXSXMQOBJANZNR-CYBMUJFWSA-N 0 3 359.430 2.390 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095711 561383410 /nfs/dbraw/zinc/38/34/10/561383410.db2.gz RSQVTSVLPJXBIN-SUMWQHHRSA-N 0 3 364.446 2.202 20 5 FEBDHN O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000245925869 549021275 /nfs/dbraw/zinc/02/12/75/549021275.db2.gz XLSRYHBMBTXESK-JLSDUUJJSA-N 0 3 359.426 2.104 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246086084 549048879 /nfs/dbraw/zinc/04/88/79/549048879.db2.gz GGWYUQHCZPLHJD-UONOGXRCSA-N 0 3 355.460 2.254 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)[C@H]2CCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000246198201 549075700 /nfs/dbraw/zinc/07/57/00/549075700.db2.gz NDFKZJGFDVVUBT-JSGCOSHPSA-N 0 3 350.419 2.333 20 5 FEBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000246229178 549084308 /nfs/dbraw/zinc/08/43/08/549084308.db2.gz FPNARGLNIMPHRW-PBHICJAKSA-N 0 3 360.414 2.077 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2CCC[C@H]2C1 ZINC000246328514 549107344 /nfs/dbraw/zinc/10/73/44/549107344.db2.gz KZERZRSALOWNQK-AAEUAGOBSA-N 0 3 352.822 2.355 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000488506991 561390925 /nfs/dbraw/zinc/39/09/25/561390925.db2.gz VLYWDJKBBFYJAJ-NJAPINKUSA-N 0 3 357.414 2.482 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488702926 561394880 /nfs/dbraw/zinc/39/48/80/561394880.db2.gz OPRGFUYTQDMQOV-CYBMUJFWSA-N 0 3 359.430 2.156 20 5 FEBDHN CCOc1ccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246715535 549194236 /nfs/dbraw/zinc/19/42/36/549194236.db2.gz KZJCKZNTGMGTDI-SJLPKXTDSA-N 0 3 360.414 2.388 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247342699 549322645 /nfs/dbraw/zinc/32/26/45/549322645.db2.gz JGLMBQBQNRLIIF-DGCLKSJQSA-N 0 3 351.403 2.024 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000249259692 549573070 /nfs/dbraw/zinc/57/30/70/549573070.db2.gz YWMRNZBJVUMNFA-GJZGRUSLSA-N 0 3 369.487 2.177 20 5 FEBDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000490425989 561432845 /nfs/dbraw/zinc/43/28/45/561432845.db2.gz NETGRRVEEMTBMT-CQSZACIVSA-N 0 3 367.471 2.231 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN(CC)C2CC2)cc1OC ZINC000263721649 549925924 /nfs/dbraw/zinc/92/59/24/549925924.db2.gz LSKPNEUSZOCLMB-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000264123718 549981860 /nfs/dbraw/zinc/98/18/60/549981860.db2.gz CWZQVIFQRZXZGO-UHFFFAOYSA-N 0 3 367.356 2.109 20 5 FEBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000264123718 549981863 /nfs/dbraw/zinc/98/18/63/549981863.db2.gz CWZQVIFQRZXZGO-UHFFFAOYSA-N 0 3 367.356 2.109 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1OC ZINC000268293215 550045716 /nfs/dbraw/zinc/04/57/16/550045716.db2.gz ZTRUCXMKVBRAJH-SMDDNHRTSA-N 0 3 363.414 2.215 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1OC ZINC000268293213 550045858 /nfs/dbraw/zinc/04/58/58/550045858.db2.gz ZTRUCXMKVBRAJH-FZMZJTMJSA-N 0 3 363.414 2.215 20 5 FEBDHN COc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000269121977 550157440 /nfs/dbraw/zinc/15/74/40/550157440.db2.gz GABJKMKTDOYHPG-BLLLJJGKSA-N 0 3 354.428 2.453 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328718 550438370 /nfs/dbraw/zinc/43/83/70/550438370.db2.gz LAHOKGBJXDGEJT-GXFFZTMASA-N 0 3 361.427 2.156 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000272735896 550467934 /nfs/dbraw/zinc/46/79/34/550467934.db2.gz CGDXAIKQEHMPIC-LBPRGKRZSA-N 0 3 361.398 2.152 20 5 FEBDHN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1=CCN(C)CC1 ZINC000272760603 550469178 /nfs/dbraw/zinc/46/91/78/550469178.db2.gz FWYDGYGYVVCWSG-NSHDSACASA-N 0 3 356.382 2.229 20 5 FEBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000273362423 550495548 /nfs/dbraw/zinc/49/55/48/550495548.db2.gz QTGZKXZEPQOZMG-IAGOWNOFSA-N 0 3 360.410 2.390 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274511412 550541334 /nfs/dbraw/zinc/54/13/34/550541334.db2.gz XOWOTPACIJDXCO-ZDUSSCGKSA-N 0 3 360.414 2.097 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000274549403 550543383 /nfs/dbraw/zinc/54/33/83/550543383.db2.gz XGXBUIPTIZHXDO-LBPRGKRZSA-N 0 3 351.403 2.215 20 5 FEBDHN CS[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274706430 550550140 /nfs/dbraw/zinc/55/01/40/550550140.db2.gz WJCXWNQQEAIMQR-GHMZBOCLSA-N 0 3 353.473 2.320 20 5 FEBDHN Cc1ccsc1[C@@H](CO)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669569 561473848 /nfs/dbraw/zinc/47/38/48/561473848.db2.gz CDPHSUGUCPTMQI-QWHCGFSZSA-N 0 3 352.412 2.028 20 5 FEBDHN CCN1CCC(NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277171896 550639651 /nfs/dbraw/zinc/63/96/51/550639651.db2.gz JGGSNALIKLDEMQ-UHFFFAOYSA-N 0 3 364.402 2.296 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000277251403 550648056 /nfs/dbraw/zinc/64/80/56/550648056.db2.gz ZLQSUGHYNLVHGS-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277606737 550691114 /nfs/dbraw/zinc/69/11/14/550691114.db2.gz QDQMYXDOLKBJIR-CQSZACIVSA-N 0 3 367.471 2.304 20 5 FEBDHN CCN1CCN(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278431627 550785189 /nfs/dbraw/zinc/78/51/89/550785189.db2.gz PRVDZYRXEBFALV-UHFFFAOYSA-N 0 3 361.368 2.448 20 5 FEBDHN COC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278760162 550819215 /nfs/dbraw/zinc/81/92/15/550819215.db2.gz KPUIFOHICUUSKZ-KCXAZCMYSA-N 0 3 351.403 2.096 20 5 FEBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823326 550826021 /nfs/dbraw/zinc/82/60/21/550826021.db2.gz CMPYZMNZVLQXIX-HOTGVXAUSA-N 0 3 368.821 2.125 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)[C@H]3CCOC3)cs2)c1 ZINC000280298789 550978084 /nfs/dbraw/zinc/97/80/84/550978084.db2.gz NGUVAKWTKWGMDN-KBPBESRZSA-N 0 3 363.439 2.453 20 5 FEBDHN CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000495713775 561490402 /nfs/dbraw/zinc/49/04/02/561490402.db2.gz RXVMDWNUCWCWIS-GJZGRUSLSA-N 0 3 351.472 2.376 20 5 FEBDHN CN(C)CCOc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000282580135 551248427 /nfs/dbraw/zinc/24/84/27/551248427.db2.gz VXJMQLSLMRUUKM-UHFFFAOYSA-N 0 3 372.425 2.245 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000498514807 561526482 /nfs/dbraw/zinc/52/64/82/561526482.db2.gz QHUXSRJCQIBGFX-ZDUSSCGKSA-N 0 3 360.414 2.097 20 5 FEBDHN C[C@H]1CCN(C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498709544 561532356 /nfs/dbraw/zinc/53/23/56/561532356.db2.gz KFTJMSKHMOZDGV-HNNXBMFYSA-N 0 3 360.458 2.364 20 5 FEBDHN COc1ccc(CNCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000285449967 551758479 /nfs/dbraw/zinc/75/84/79/551758479.db2.gz IVMMTXHEFCPNLC-UHFFFAOYSA-N 0 3 355.192 2.352 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843092 551817958 /nfs/dbraw/zinc/81/79/58/551817958.db2.gz OUTJUOJFBPCNEN-GJZGRUSLSA-N 0 3 369.425 2.479 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCOC2)c1 ZINC000290008401 552413262 /nfs/dbraw/zinc/41/32/62/552413262.db2.gz YUBRVSNXEMKAMT-LLVKDONJSA-N 0 3 362.167 2.468 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000290407432 552474475 /nfs/dbraw/zinc/47/44/75/552474475.db2.gz GAMQYQICKDZHDW-DYVFJYSZSA-N 0 3 374.441 2.181 20 5 FEBDHN CN(C)CCOc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290725614 552526737 /nfs/dbraw/zinc/52/67/37/552526737.db2.gz ZPSPGHQGOKXSNT-UHFFFAOYSA-N 0 3 358.398 2.246 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000501125273 561590928 /nfs/dbraw/zinc/59/09/28/561590928.db2.gz NXSTXCJNTHAZFD-UHFFFAOYSA-N 0 3 358.402 2.087 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000291232690 552603730 /nfs/dbraw/zinc/60/37/30/552603730.db2.gz ITTFUMLGCAEUHE-OCCSQVGLSA-N 0 3 362.430 2.037 20 5 FEBDHN CC(C)[C@@]1(CO)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162446 552795010 /nfs/dbraw/zinc/79/50/10/552795010.db2.gz UYEWGBAHZIGBHM-WMZOPIPTSA-N 0 3 352.431 2.065 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000296855386 553221026 /nfs/dbraw/zinc/22/10/26/553221026.db2.gz FYCBXIUZKCSJQM-UHFFFAOYSA-N 0 3 369.425 2.014 20 5 FEBDHN CC(C)(CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N+](=O)[O-] ZINC000296897664 553226669 /nfs/dbraw/zinc/22/66/69/553226669.db2.gz VRPMJSTXZVATNA-QGZVFWFLSA-N 0 3 363.458 2.229 20 5 FEBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284026 553273440 /nfs/dbraw/zinc/27/34/40/553273440.db2.gz LLPYITUPLLMTMF-GDBMZVCRSA-N 0 3 351.447 2.491 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284038 553273586 /nfs/dbraw/zinc/27/35/86/553273586.db2.gz LLPYITUPLLMTMF-HOCLYGCPSA-N 0 3 351.447 2.491 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803012 553340770 /nfs/dbraw/zinc/34/07/70/553340770.db2.gz IAQUJGHAMXMJHF-GXTWGEPZSA-N 0 3 362.430 2.078 20 5 FEBDHN CCOc1cc(NC(=O)NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OCC ZINC000298482725 553430360 /nfs/dbraw/zinc/43/03/60/553430360.db2.gz WIXAIERRIGMBAR-NSHDSACASA-N 0 3 354.407 2.464 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000503997289 561651523 /nfs/dbraw/zinc/65/15/23/561651523.db2.gz BESBFWJUHJXCHK-UHFFFAOYSA-N 0 3 373.475 2.343 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301259090 553636691 /nfs/dbraw/zinc/63/66/91/553636691.db2.gz UPHYUHRJRWKIRN-ZDUSSCGKSA-N 0 3 357.414 2.313 20 5 FEBDHN CC1CCN(C[C@@H](O)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301706075 553673025 /nfs/dbraw/zinc/67/30/25/553673025.db2.gz VMKUXHBJZXTDQB-LBPRGKRZSA-N 0 3 373.251 2.257 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000508344543 561759644 /nfs/dbraw/zinc/75/96/44/561759644.db2.gz RHHLESJHIAMAIY-STQMWFEESA-N 0 3 363.414 2.232 20 5 FEBDHN COc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372216 561760451 /nfs/dbraw/zinc/76/04/51/561760451.db2.gz XFDVYBIQNXRUMJ-DZGCQCFKSA-N 0 3 366.437 2.205 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000508529826 561764860 /nfs/dbraw/zinc/76/48/60/561764860.db2.gz DRCFIBAQMNNXBY-UHFFFAOYSA-N 0 3 351.794 2.175 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000332197843 554399516 /nfs/dbraw/zinc/39/95/16/554399516.db2.gz DZHVPOUFNNPTIW-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510713684 561844315 /nfs/dbraw/zinc/84/43/15/561844315.db2.gz BKBZYTZAALPXFT-KBPBESRZSA-N 0 3 373.450 2.381 20 5 FEBDHN O=[N+]([O-])c1cnc(NCCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000612778926 554839543 /nfs/dbraw/zinc/83/95/43/554839543.db2.gz GVDNFVBRBJLJQI-UHFFFAOYSA-N 0 3 370.457 2.395 20 5 FEBDHN COc1ccc(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000362069104 554948120 /nfs/dbraw/zinc/94/81/20/554948120.db2.gz UNDFXRAGZJEWRA-MRXNPFEDSA-N 0 3 357.410 2.472 20 5 FEBDHN CC1(CN2CCOCC2)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362305374 554961824 /nfs/dbraw/zinc/96/18/24/554961824.db2.gz KTMNGJJOZFJWCR-SFHVURJKSA-N 0 3 363.458 2.063 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362396978 554969602 /nfs/dbraw/zinc/96/96/02/554969602.db2.gz QEYTZZJMICZCNU-KGLIPLIRSA-N 0 3 365.455 2.300 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363272599 555068607 /nfs/dbraw/zinc/06/86/07/555068607.db2.gz GYRVDTDQPFSSGV-CYBMUJFWSA-N 0 3 363.414 2.312 20 5 FEBDHN Cn1cccc1C(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363452980 555109239 /nfs/dbraw/zinc/10/92/39/555109239.db2.gz OUVBXAUCOYJQLO-UHFFFAOYSA-N 0 3 356.426 2.370 20 5 FEBDHN N[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364307334 555288757 /nfs/dbraw/zinc/28/87/57/555288757.db2.gz YOALAKZLPJDGDG-JKSUJKDBSA-N 0 3 373.384 2.456 20 5 FEBDHN COC(=O)c1cnc(N2CC[C@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000364504075 555325502 /nfs/dbraw/zinc/32/55/02/555325502.db2.gz FOHQOLNZSVXGKH-INIZCTEOSA-N 0 3 370.409 2.487 20 5 FEBDHN CNC(=O)c1ccc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000364664151 555367104 /nfs/dbraw/zinc/36/71/04/555367104.db2.gz PGOKKXNVUWORQS-YJBOKZPZSA-N 0 3 369.425 2.454 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2Cn2cccn2)c1 ZINC000364743348 555391771 /nfs/dbraw/zinc/39/17/71/555391771.db2.gz QBJYTMYGULOYLJ-DLBZAZTESA-N 0 3 360.414 2.086 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@H]2CCOC2)CC1 ZINC000365047751 555473108 /nfs/dbraw/zinc/47/31/08/555473108.db2.gz YELBKDFZHFJPQF-HOTGVXAUSA-N 0 3 350.415 2.083 20 5 FEBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000365340197 555548687 /nfs/dbraw/zinc/54/86/87/555548687.db2.gz NRWBVGDRAPOGAG-CQSZACIVSA-N 0 3 366.849 2.100 20 5 FEBDHN CN1C[C@@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000365510765 555595047 /nfs/dbraw/zinc/59/50/47/555595047.db2.gz TWQNKQSOCBCCSF-OCAPTIKFSA-N 0 3 360.233 2.052 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794933 555668870 /nfs/dbraw/zinc/66/88/70/555668870.db2.gz LWQJQTXLYHQWLB-BBRMVZONSA-N 0 3 364.402 2.094 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000513419577 561937555 /nfs/dbraw/zinc/93/75/55/561937555.db2.gz IPCKIWKSKLZIIU-UKRRQHHQSA-N 0 3 357.414 2.443 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365854948 555684301 /nfs/dbraw/zinc/68/43/01/555684301.db2.gz JASQSSUVQXBLEH-OAHLLOKOSA-N 0 3 357.414 2.330 20 5 FEBDHN O=C1[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866126 561952909 /nfs/dbraw/zinc/95/29/09/561952909.db2.gz NZRDOARSWQPSPF-HZMVEIRTSA-N 0 3 357.410 2.247 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366565354 555877178 /nfs/dbraw/zinc/87/71/78/555877178.db2.gz UQEFCFNDZHIOTA-HIFRSBDPSA-N 0 3 365.434 2.123 20 5 FEBDHN COc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954900 556181445 /nfs/dbraw/zinc/18/14/45/556181445.db2.gz FIXZHJUKMSZLIY-SJORKVTESA-N 0 3 350.415 2.403 20 5 FEBDHN COc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954897 556181455 /nfs/dbraw/zinc/18/14/55/556181455.db2.gz FIXZHJUKMSZLIY-DLBZAZTESA-N 0 3 350.415 2.403 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000368389381 556294586 /nfs/dbraw/zinc/29/45/86/556294586.db2.gz WHFXOSNCIFPUPG-CQSZACIVSA-N 0 3 352.822 2.167 20 5 FEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@@H](O)COCc3cccs3)C2)c1 ZINC000369020331 556478602 /nfs/dbraw/zinc/47/86/02/556478602.db2.gz WQRMFNICTULHIP-UKRRQHHQSA-N 0 3 366.443 2.067 20 5 FEBDHN Cc1cccc(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369310988 556571044 /nfs/dbraw/zinc/57/10/44/556571044.db2.gz SZJIWAUYGYTTDQ-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H]1c1cccs1 ZINC000369560297 556631289 /nfs/dbraw/zinc/63/12/89/556631289.db2.gz GBIQADBWCOEUKB-HZMBPMFUSA-N 0 3 361.427 2.255 20 5 FEBDHN O=C1[C@H](N2CCC[C@H](N3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582491 556638347 /nfs/dbraw/zinc/63/83/47/556638347.db2.gz BNIJZFKZIOSGAQ-ZWKOTPCHSA-N 0 3 358.442 2.260 20 5 FEBDHN C[C@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000369661523 556661856 /nfs/dbraw/zinc/66/18/56/556661856.db2.gz CAANJVWBQYIMAB-ZDUSSCGKSA-N 0 3 372.429 2.941 20 5 FEBDHN COc1cccc(NC(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369683577 556667859 /nfs/dbraw/zinc/66/78/59/556667859.db2.gz MWKPFTUNEHHQKA-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000370540991 556903748 /nfs/dbraw/zinc/90/37/48/556903748.db2.gz ZNADAMAILTYMDN-UHFFFAOYSA-N 0 3 354.410 2.427 20 5 FEBDHN Cc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370828834 556982095 /nfs/dbraw/zinc/98/20/95/556982095.db2.gz BNDMGZSDRKXYCL-OAHLLOKOSA-N 0 3 354.410 2.371 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221582 557111167 /nfs/dbraw/zinc/11/11/67/557111167.db2.gz XUSSZZASIGHLFL-WMLDXEAASA-N 0 3 360.458 2.001 20 5 FEBDHN CN1CCN(c2ccncc2NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518431028 562111350 /nfs/dbraw/zinc/11/13/50/562111350.db2.gz OEOMLFFPGSAEQF-UHFFFAOYSA-N 0 3 356.386 2.386 20 5 FEBDHN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000372353848 557448195 /nfs/dbraw/zinc/44/81/95/557448195.db2.gz BCXCKQPCZKBTBA-APWZRJJASA-N 0 3 374.485 2.012 20 5 FEBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000374372901 557873686 /nfs/dbraw/zinc/87/36/86/557873686.db2.gz GBRZZHKPRHRRAY-VXGBXAGGSA-N 0 3 352.366 2.027 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000374871253 557944275 /nfs/dbraw/zinc/94/42/75/557944275.db2.gz CPUKKCLBBMETKG-KDOFPFPSSA-N 0 3 360.458 2.378 20 5 FEBDHN C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883178 557945890 /nfs/dbraw/zinc/94/58/90/557945890.db2.gz RLPBFJVDSGYPBP-VQIMIIECSA-N 0 3 373.457 2.013 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377546 558017677 /nfs/dbraw/zinc/01/76/77/558017677.db2.gz GGDOAQOMOLZQSR-LSDHHAIUSA-N 0 3 364.450 2.012 20 5 FEBDHN COCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000521995493 562188404 /nfs/dbraw/zinc/18/84/04/562188404.db2.gz HWLQZWHHLAXTKK-UHFFFAOYSA-N 0 3 356.444 2.165 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862800 558437286 /nfs/dbraw/zinc/43/72/86/558437286.db2.gz ZEDZJFPIJLSEGV-WDEREUQCSA-N 0 3 354.794 2.233 20 5 FEBDHN COC(=O)[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000377985219 558457808 /nfs/dbraw/zinc/45/78/08/558457808.db2.gz CWRGKHMRWUGJKE-CYBMUJFWSA-N 0 3 363.414 2.363 20 5 FEBDHN CC(C)(C(=O)NC1CCN(Cc2ccccc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000523287263 562210494 /nfs/dbraw/zinc/21/04/94/562210494.db2.gz UVWPFERSAVXSAQ-UHFFFAOYSA-N 0 3 371.441 2.307 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)C2CCN(CC)CC2)cc([N+](=O)[O-])c1 ZINC000524346097 562227241 /nfs/dbraw/zinc/22/72/41/562227241.db2.gz RGPFDWKURWOJKZ-UHFFFAOYSA-N 0 3 363.414 2.328 20 5 FEBDHN Cc1ccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524394804 562227930 /nfs/dbraw/zinc/22/79/30/562227930.db2.gz MWTSBSOUFJOPMI-IBGZPJMESA-N 0 3 355.394 2.479 20 5 FEBDHN CN(C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000525032124 562239491 /nfs/dbraw/zinc/23/94/91/562239491.db2.gz JIRYFYSEZXLQSI-UHFFFAOYSA-N 0 3 369.421 2.189 20 5 FEBDHN CN(C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000525030582 562239493 /nfs/dbraw/zinc/23/94/93/562239493.db2.gz FBKNIUWSZKRVDT-UHFFFAOYSA-N 0 3 369.421 2.189 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424715 558892685 /nfs/dbraw/zinc/89/26/85/558892685.db2.gz LLTMVTUZTDKJTL-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411974386 558997850 /nfs/dbraw/zinc/99/78/50/558997850.db2.gz UARUKEFOFDHJEA-LJQANCHMSA-N 0 3 355.394 2.232 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1F ZINC000412121379 559015533 /nfs/dbraw/zinc/01/55/33/559015533.db2.gz FIOKNKOXXLNAJU-NWDGAFQWSA-N 0 3 353.394 2.226 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413150891 559083409 /nfs/dbraw/zinc/08/34/09/559083409.db2.gz XTNNOBJCYXYVID-UHFFFAOYSA-N 0 3 361.368 2.082 20 5 FEBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000413971091 559144094 /nfs/dbraw/zinc/14/40/94/559144094.db2.gz AVLVJIUQDARUBP-NVXWUHKLSA-N 0 3 373.409 2.455 20 5 FEBDHN CC(C)[C@@H]1N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199034 559152823 /nfs/dbraw/zinc/15/28/23/559152823.db2.gz YSKAOPJZVPXHPV-AEFFLSMTSA-N 0 3 364.442 2.472 20 5 FEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953367 559196920 /nfs/dbraw/zinc/19/69/20/559196920.db2.gz RLVJZLUJNQELKH-LDYMZIIASA-N 0 3 374.344 2.431 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415829833 559276199 /nfs/dbraw/zinc/27/61/99/559276199.db2.gz DAEREFRTLGBFPN-HNNXBMFYSA-N 0 3 370.409 2.220 20 5 FEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CNCCO2 ZINC000415971946 559286142 /nfs/dbraw/zinc/28/61/42/559286142.db2.gz KRGOGVBGUHYAFG-UHFFFAOYSA-N 0 3 371.397 2.310 20 5 FEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CNCCO2 ZINC000415978902 559286884 /nfs/dbraw/zinc/28/68/84/559286884.db2.gz WAGSIAWRSSHPFK-UHFFFAOYSA-N 0 3 356.382 2.441 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)NCC3(N(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000416289740 559302870 /nfs/dbraw/zinc/30/28/70/559302870.db2.gz KHQWSISQIHZYGC-UHFFFAOYSA-N 0 3 371.441 2.280 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409008 559310839 /nfs/dbraw/zinc/31/08/39/559310839.db2.gz TVJMLSKDQGJGHW-KGLIPLIRSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000416429734 559312391 /nfs/dbraw/zinc/31/23/91/559312391.db2.gz ZXAFZEOBZYVKHJ-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)cc1C ZINC000416503045 559318344 /nfs/dbraw/zinc/31/83/44/559318344.db2.gz UDVQDCDOYZALIH-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)cc1C ZINC000416503045 559318345 /nfs/dbraw/zinc/31/83/45/559318345.db2.gz UDVQDCDOYZALIH-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN O=C(NCCCNCc1cccnc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417236498 559354269 /nfs/dbraw/zinc/35/42/69/559354269.db2.gz UNSUUTXTTQDSEH-UHFFFAOYSA-N 0 3 357.414 2.011 20 5 FEBDHN CN1CCN(C(=O)CCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417300707 559356487 /nfs/dbraw/zinc/35/64/87/559356487.db2.gz ASQQGWJKXMJDBS-SFHVURJKSA-N 0 3 360.458 2.116 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000420007317 559468688 /nfs/dbraw/zinc/46/86/88/559468688.db2.gz CHPNTOWINQGLIF-MRXNPFEDSA-N 0 3 355.460 2.139 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000420461063 559488668 /nfs/dbraw/zinc/48/86/68/559488668.db2.gz LNVWJEHOOFCKBC-OAHLLOKOSA-N 0 3 363.439 2.444 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)cc1OC ZINC000421707181 559550278 /nfs/dbraw/zinc/55/02/78/559550278.db2.gz WSOAGVKXUDZUOC-LBPRGKRZSA-N 0 3 351.403 2.168 20 5 FEBDHN COC1([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421843670 559554900 /nfs/dbraw/zinc/55/49/00/559554900.db2.gz RCYAJWNOMKVRCQ-ZDUSSCGKSA-N 0 3 356.444 2.306 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081615 559618037 /nfs/dbraw/zinc/61/80/37/559618037.db2.gz DJMZHQFRFMHSML-CABCVRRESA-N 0 3 359.348 2.470 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000425067519 559686278 /nfs/dbraw/zinc/68/62/78/559686278.db2.gz ROYALGZCSAZMGQ-SUMWQHHRSA-N 0 3 355.398 2.151 20 5 FEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n(C2CCN(C)CC2)n1 ZINC000430447293 559820245 /nfs/dbraw/zinc/82/02/45/559820245.db2.gz FHFLJQUPGJOFBB-UHFFFAOYSA-N 0 3 358.402 2.322 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000433999393 559892411 /nfs/dbraw/zinc/89/24/11/559892411.db2.gz NNWBKRUKVBVIDB-ROISZYCASA-N 0 3 369.425 2.434 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000436717756 559949834 /nfs/dbraw/zinc/94/98/34/559949834.db2.gz CVOFTGJVDXQYJU-OAHLLOKOSA-N 0 3 357.414 2.009 20 5 FEBDHN COc1cccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C)c1 ZINC000439127346 559988869 /nfs/dbraw/zinc/98/88/69/559988869.db2.gz AUWBLBOLQYTFFH-MRXNPFEDSA-N 0 3 358.398 2.417 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000439638186 559998471 /nfs/dbraw/zinc/99/84/71/559998471.db2.gz VCSRUHHPLIKPMQ-VQISRLSMSA-N 0 3 351.403 2.334 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000439824348 560000304 /nfs/dbraw/zinc/00/03/04/560000304.db2.gz UTCVOSMTBZSJQT-CQSZACIVSA-N 0 3 370.331 2.450 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000445064467 560127845 /nfs/dbraw/zinc/12/78/45/560127845.db2.gz DQNJFXKMCCCYMR-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN Cc1cccc(CC[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000449145054 560217897 /nfs/dbraw/zinc/21/78/97/560217897.db2.gz VQROYIDSKRNJQA-UHFFFAOYSA-N 0 3 363.439 2.014 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170266 560218958 /nfs/dbraw/zinc/21/89/58/560218958.db2.gz GAQUVOMLTUGRIO-HIFRSBDPSA-N 0 3 357.414 2.045 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000449279927 560223372 /nfs/dbraw/zinc/22/33/72/560223372.db2.gz UPCZRQGBEVUQAW-ZFWWWQNUSA-N 0 3 357.414 2.045 20 5 FEBDHN CC[C@@H](CO)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449374421 560227518 /nfs/dbraw/zinc/22/75/18/560227518.db2.gz AKXSHFSJQAGLGZ-NSHDSACASA-N 0 3 364.183 2.402 20 5 FEBDHN COc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449522359 560232627 /nfs/dbraw/zinc/23/26/27/560232627.db2.gz WEWVJIRUUGQQOD-GXFFZTMASA-N 0 3 357.357 2.341 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCCN([C@@H](C)CO)CC1 ZINC000450471885 560263481 /nfs/dbraw/zinc/26/34/81/560263481.db2.gz DLKWLBWAECUWKU-ZDUSSCGKSA-N 0 3 360.414 2.045 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)nc1-c1ccccc1 ZINC000450610779 560268060 /nfs/dbraw/zinc/26/80/60/560268060.db2.gz HHOIBAUBTOEWLP-INIZCTEOSA-N 0 3 356.426 2.916 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)nc1-c1ccc(F)cc1 ZINC000450617499 560268241 /nfs/dbraw/zinc/26/82/41/560268241.db2.gz RBQRQSULCNISTP-MRXNPFEDSA-N 0 3 374.416 3.055 20 5 FEBDHN CC(C)N1CC[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000450948147 560279585 /nfs/dbraw/zinc/27/95/85/560279585.db2.gz DRGWWICFPISOFH-HNNXBMFYSA-N 0 3 371.441 2.478 20 5 FEBDHN CC1(C)NC(=O)N(CCCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548099 560313819 /nfs/dbraw/zinc/31/38/19/560313819.db2.gz MTQXUUNWAHKESR-HNNXBMFYSA-N 0 3 374.441 2.495 20 5 FEBDHN COC[C@H](C)OC[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549626 560314129 /nfs/dbraw/zinc/31/41/29/560314129.db2.gz PTJLHMAHDHFRHT-LESCRADOSA-N 0 3 352.431 2.187 20 5 FEBDHN CS(=O)(=O)N1CC[C@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549674 560314158 /nfs/dbraw/zinc/31/41/58/560314158.db2.gz QBTIQQSGQLOMRH-GDBMZVCRSA-N 0 3 367.471 2.056 20 5 FEBDHN CCS(=O)(=O)NCCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553148 560314302 /nfs/dbraw/zinc/31/43/02/560314302.db2.gz XPSXXJWIVXQKCB-HNNXBMFYSA-N 0 3 355.460 2.104 20 5 FEBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836864 560331568 /nfs/dbraw/zinc/33/15/68/560331568.db2.gz HCWHOUZCVOCXHK-UONOGXRCSA-N 0 3 364.446 2.347 20 5 FEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN(C2CC2)C1 ZINC000452164452 560354211 /nfs/dbraw/zinc/35/42/11/560354211.db2.gz NVGZPUBEGFDBPC-CQSZACIVSA-N 0 3 369.425 2.337 20 5 FEBDHN CNc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456055697 560505653 /nfs/dbraw/zinc/50/56/53/560505653.db2.gz TVXGZIKUWWYWMO-DZGCQCFKSA-N 0 3 369.425 2.424 20 5 FEBDHN CC(C)CN(Cc1cnn(C)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459601359 560697120 /nfs/dbraw/zinc/69/71/20/560697120.db2.gz XKKGBYBFUQLHBJ-MRXNPFEDSA-N 0 3 362.430 2.226 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000467983529 560920629 /nfs/dbraw/zinc/92/06/29/560920629.db2.gz LKMKXNNFPOSLND-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000468468160 560930585 /nfs/dbraw/zinc/93/05/85/560930585.db2.gz QMROJCAWQVBWND-MRXNPFEDSA-N 0 3 372.429 2.026 20 5 FEBDHN COc1cc(S(=O)(=O)NCC2(N(C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000468881500 560941314 /nfs/dbraw/zinc/94/13/14/560941314.db2.gz IDXYDMXHHVMBCH-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000470063726 560973276 /nfs/dbraw/zinc/97/32/76/560973276.db2.gz AFNYKIQBFRNXAY-OAHLLOKOSA-N 0 3 374.441 2.167 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000470069544 560973509 /nfs/dbraw/zinc/97/35/09/560973509.db2.gz WCRYQONKHDBJOC-UHFFFAOYSA-N 0 3 350.810 2.189 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472618543 561031071 /nfs/dbraw/zinc/03/10/71/561031071.db2.gz NWEMLFGFXHTCEO-TXEJJXNPSA-N 0 3 366.393 2.052 20 5 FEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccccc2OCCO)n1 ZINC000472620036 561031183 /nfs/dbraw/zinc/03/11/83/561031183.db2.gz GXEWEVOLHTYVKI-HOTGVXAUSA-N 0 3 360.414 2.436 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350081 561071859 /nfs/dbraw/zinc/07/18/59/561071859.db2.gz AUHGNOWEISPFSO-QAPCUYQASA-N 0 3 366.414 2.440 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000474382133 561072893 /nfs/dbraw/zinc/07/28/93/561072893.db2.gz ZKSUFIRFDGSIMA-UHFFFAOYSA-N 0 3 363.370 2.084 20 5 FEBDHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2csc([N+](=O)[O-])c2)cn1 ZINC000475055333 561089014 /nfs/dbraw/zinc/08/90/14/561089014.db2.gz VOPWOACZRPPGRW-KBPBESRZSA-N 0 3 353.423 2.092 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000476610215 561124217 /nfs/dbraw/zinc/12/42/17/561124217.db2.gz MEZYRTBXHMDELX-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN CNc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531252427 562439759 /nfs/dbraw/zinc/43/97/59/562439759.db2.gz BQBOKEKVQZLBAZ-ZIAGYGMSSA-N 0 3 364.446 2.256 20 5 FEBDHN CC1(C)CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000532011994 562463941 /nfs/dbraw/zinc/46/39/41/562463941.db2.gz WTQUUUQEJKHGHS-ZDUSSCGKSA-N 0 3 355.460 2.432 20 5 FEBDHN CN(C)CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000532336777 562474555 /nfs/dbraw/zinc/47/45/55/562474555.db2.gz LERWKHGPHXQWEG-UHFFFAOYSA-N 0 3 364.446 2.489 20 5 FEBDHN CNc1ccc(C(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000569160469 568300754 /nfs/dbraw/zinc/30/07/54/568300754.db2.gz JJJQQZVQUSNIDX-UHFFFAOYSA-N 0 3 352.460 2.194 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1c1ccccc1F ZINC000570442169 568476673 /nfs/dbraw/zinc/47/66/73/568476673.db2.gz WHZKUBNAGSZHGA-GXTWGEPZSA-N 0 3 373.340 2.030 20 5 FEBDHN C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736770648 598501735 /nfs/dbraw/zinc/50/17/35/598501735.db2.gz CXGVQJFYLVMUPS-UHFFFAOYSA-N 0 3 354.374 2.018 20 5 FEBDHN C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736770648 598501737 /nfs/dbraw/zinc/50/17/37/598501737.db2.gz CXGVQJFYLVMUPS-UHFFFAOYSA-N 0 3 354.374 2.018 20 5 FEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000736027048 598676071 /nfs/dbraw/zinc/67/60/71/598676071.db2.gz WBSIVLJIBJOQNF-GFCCVEGCSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000736027048 598676072 /nfs/dbraw/zinc/67/60/72/598676072.db2.gz WBSIVLJIBJOQNF-GFCCVEGCSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000736027048 598676073 /nfs/dbraw/zinc/67/60/73/598676073.db2.gz WBSIVLJIBJOQNF-GFCCVEGCSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000736027048 598676074 /nfs/dbraw/zinc/67/60/74/598676074.db2.gz WBSIVLJIBJOQNF-GFCCVEGCSA-N 0 3 368.401 2.102 20 5 FEBDHN C[C@@H]1CCC[N@@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837288 674515163 /nfs/dbraw/zinc/51/51/63/674515163.db2.gz WVADHUVKEKSJCS-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@@H]1CCC[N@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837288 674515165 /nfs/dbraw/zinc/51/51/65/674515165.db2.gz WVADHUVKEKSJCS-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000561750026 674695514 /nfs/dbraw/zinc/69/55/14/674695514.db2.gz NEFMEYHKOALFHT-HUUCEWRRSA-N 0 3 369.487 2.221 20 5 FEBDHN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102646 674719683 /nfs/dbraw/zinc/71/96/83/674719683.db2.gz HWVFTOXANQWTMP-SMDDNHRTSA-N 0 3 355.366 2.002 20 5 FEBDHN CC(COC(=O)c1cnn(-c2ccccc2)c1Br)[N+](=O)[O-] ZINC000813105460 674719913 /nfs/dbraw/zinc/71/99/13/674719913.db2.gz MKYGDBPGFXLEFK-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN CC(COC(=O)Cc1csc(NC(=O)c2cccs2)n1)[N+](=O)[O-] ZINC000813106365 674720561 /nfs/dbraw/zinc/72/05/61/674720561.db2.gz BTAQLPCYBPERIJ-QMMMGPOBSA-N 0 3 355.397 2.208 20 5 FEBDHN CC(COC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000813113525 674720955 /nfs/dbraw/zinc/72/09/55/674720955.db2.gz RIRQJGSFPLZJLE-SECBINFHSA-N 0 3 351.309 2.461 20 5 FEBDHN CCc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000563055940 674840062 /nfs/dbraw/zinc/84/00/62/674840062.db2.gz ZGNPMFGYKGEODS-AGUYFDCRSA-N 0 3 353.444 2.061 20 5 FEBDHN CC(C)N(C)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035481 674904477 /nfs/dbraw/zinc/90/44/77/674904477.db2.gz LYSXWTAKJDVHTG-UHFFFAOYSA-N 0 3 353.803 2.006 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816971978 675091632 /nfs/dbraw/zinc/09/16/32/675091632.db2.gz XJWACQLTRYTHHG-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000065978432 670435911 /nfs/dbraw/zinc/43/59/11/670435911.db2.gz NWALGZZGPPGLBS-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN Cc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1Br ZINC000570273451 670688056 /nfs/dbraw/zinc/68/80/56/670688056.db2.gz MKNJPRNKASZNJW-ZDUSSCGKSA-N 0 3 369.219 2.013 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000089508951 670702575 /nfs/dbraw/zinc/70/25/75/670702575.db2.gz ISLYAJNTRCYUAL-UHFFFAOYSA-N 0 3 352.391 2.471 20 5 FEBDHN CC[C@H]1CCCCN1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571909881 670939470 /nfs/dbraw/zinc/93/94/70/670939470.db2.gz GRGZVNKCFGMHPZ-HNNXBMFYSA-N 0 3 369.487 2.223 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610134959 675955952 /nfs/dbraw/zinc/95/59/52/675955952.db2.gz HLLDSCZPVUIBIM-ZIAGYGMSSA-N 0 3 355.460 2.397 20 5 FEBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261445 675961896 /nfs/dbraw/zinc/96/18/96/675961896.db2.gz GEVUZSWAHRXVBB-HZSPNIEDSA-N 0 3 368.459 2.016 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC(OC)CC1 ZINC000589374650 672523236 /nfs/dbraw/zinc/52/32/36/672523236.db2.gz PGUSJZAJJBTTKR-UHFFFAOYSA-N 0 3 350.419 2.390 20 5 FEBDHN COc1cc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1[O-] ZINC000589938572 672549378 /nfs/dbraw/zinc/54/93/78/672549378.db2.gz WBKKPXJNSFLAOY-RNCFNFMXSA-N 0 3 350.293 2.245 20 5 FEBDHN Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c(C)cc1[N+](=O)[O-] ZINC000591328963 672670751 /nfs/dbraw/zinc/67/07/51/672670751.db2.gz SJYZVFHZFKKHKJ-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN Cc1noc(CN2CCC(CCCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595428106 673249771 /nfs/dbraw/zinc/24/97/71/673249771.db2.gz LYGKMRUJSCCCRO-UHFFFAOYSA-N 0 3 352.435 2.216 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462584960 673265970 /nfs/dbraw/zinc/26/59/70/673265970.db2.gz PXAJUISMRAZXAM-OAHLLOKOSA-N 0 3 367.471 2.446 20 5 FEBDHN O=c1[n-]ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000596132224 673362001 /nfs/dbraw/zinc/36/20/01/673362001.db2.gz VCDBQHAKZOPTAD-VIFPVBQESA-N 0 3 362.415 2.240 20 5 FEBDHN C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000596178489 673365488 /nfs/dbraw/zinc/36/54/88/673365488.db2.gz JIFSGLCJUFTPRZ-GXTWGEPZSA-N 0 3 353.854 2.105 20 5 FEBDHN CCOc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000537924059 673414140 /nfs/dbraw/zinc/41/41/40/673414140.db2.gz MHBAFIVCLRMHQQ-HIFRSBDPSA-N 0 3 353.444 2.111 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274955 673481851 /nfs/dbraw/zinc/48/18/51/673481851.db2.gz BRDIZTIFLNYWLU-KBPBESRZSA-N 0 3 358.320 2.436 20 5 FEBDHN COc1ccc(OCCN[C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000542881014 673612935 /nfs/dbraw/zinc/61/29/35/673612935.db2.gz JNDYAAIELZKANT-OAHLLOKOSA-N 0 3 350.346 2.445 20 5 FEBDHN CC1(C)CCC[C@](CO)(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599593411 673695170 /nfs/dbraw/zinc/69/51/70/673695170.db2.gz CTVSODNQIXHUKN-KRWDZBQOSA-N 0 3 370.471 2.289 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601357005 673847625 /nfs/dbraw/zinc/84/76/25/673847625.db2.gz YDGBTXWOPKGLJI-TZMCWYRMSA-N 0 3 373.450 2.393 20 5 FEBDHN C[C@H]1OCC[C@]1(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638921 673909193 /nfs/dbraw/zinc/90/91/93/673909193.db2.gz HMJRUFPFBJKXFR-HQJQHLMTSA-N 0 3 351.222 2.048 20 5 FEBDHN O=[N+]([O-])c1sc(CN[C@H](CO)[C@@H]2CCCOC2)cc1Br ZINC000602690477 673909581 /nfs/dbraw/zinc/90/95/81/673909581.db2.gz NNEWGHGBRSCWBO-LDYMZIIASA-N 0 3 365.249 2.296 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602846451 673911718 /nfs/dbraw/zinc/91/17/18/673911718.db2.gz OPTVDZMCGRLPIB-OCCSQVGLSA-N 0 3 352.435 2.399 20 5 FEBDHN CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000824835543 675624718 /nfs/dbraw/zinc/62/47/18/675624718.db2.gz XASQMVFTJGJEIC-JTQLQIEISA-N 0 3 371.235 2.106 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826928288 675716056 /nfs/dbraw/zinc/71/60/56/675716056.db2.gz FASUOTUIFTUYEQ-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754516365 680361032 /nfs/dbraw/zinc/36/10/32/680361032.db2.gz MASUHHTUWJOLGP-CYBMUJFWSA-N 0 3 355.778 2.118 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000843856852 681022420 /nfs/dbraw/zinc/02/24/20/681022420.db2.gz LTNJINPWEXJXGJ-CYBMUJFWSA-N 0 3 350.375 2.414 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771036684 681038222 /nfs/dbraw/zinc/03/82/22/681038222.db2.gz BJDXXIIGSRSLEN-LBPRGKRZSA-N 0 3 353.806 2.231 20 5 FEBDHN CC([C@@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872351 681158138 /nfs/dbraw/zinc/15/81/38/681158138.db2.gz HFXUBGPBQUBHJD-GLKRBJQHSA-N 0 3 350.346 2.086 20 5 FEBDHN CC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875004 681158199 /nfs/dbraw/zinc/15/81/99/681158199.db2.gz KQXBQBFNDKFCHQ-RBOXIYTFSA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@H](OC(=O)CC1(CS(C)(=O)=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881206 681159044 /nfs/dbraw/zinc/15/90/44/681159044.db2.gz ZKQAJINBVICTCA-ABAIWWIYSA-N 0 3 373.402 2.290 20 5 FEBDHN CN1CCN(C)CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000933990790 681493875 /nfs/dbraw/zinc/49/38/75/681493875.db2.gz RORMBOKKWQCAOB-UHFFFAOYSA-N 0 3 371.279 2.037 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000935112876 681690667 /nfs/dbraw/zinc/69/06/67/681690667.db2.gz JJIZXPZCIIRSNF-JSGCOSHPSA-N 0 3 355.485 2.434 20 5 FEBDHN Cc1c(C(=O)NC[C@H](C)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000917838587 685534965 /nfs/dbraw/zinc/53/49/65/685534965.db2.gz MFUYEGXEQFYUJZ-NSHDSACASA-N 0 3 350.375 2.416 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000917838109 685534974 /nfs/dbraw/zinc/53/49/74/685534974.db2.gz IDBYRRIGEUEYRY-LLVKDONJSA-N 0 3 350.375 2.416 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000918465491 685539282 /nfs/dbraw/zinc/53/92/82/685539282.db2.gz OMXXMDSICIQNAN-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN CC(C)(C)OC(=O)NCC(=N)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853693112 682457177 /nfs/dbraw/zinc/45/71/77/682457177.db2.gz IYLJVXDHWDARLC-UHFFFAOYSA-N 0 3 360.317 2.396 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000790265623 682663405 /nfs/dbraw/zinc/66/34/05/682663405.db2.gz NNFBRECQIDGEBD-ZYHUDNBSSA-N 0 3 369.805 2.310 20 5 FEBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347725 683394090 /nfs/dbraw/zinc/39/40/90/683394090.db2.gz LLBCLLOYGWXQHN-BNLOLNQZSA-N 0 3 354.378 2.490 20 5 FEBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000928430961 683449840 /nfs/dbraw/zinc/44/98/40/683449840.db2.gz KHLLQHXXMKQBLT-SKDRFNHKSA-N 0 3 356.220 2.109 20 5 FEBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000928430959 683450250 /nfs/dbraw/zinc/45/02/50/683450250.db2.gz KHLLQHXXMKQBLT-CABZTGNLSA-N 0 3 356.220 2.109 20 5 FEBDHN CC1([NH+]2CCC2)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000921721945 683557108 /nfs/dbraw/zinc/55/71/08/683557108.db2.gz KHIXSVQIWYKFQI-UHFFFAOYSA-N 0 3 371.434 2.419 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000931186302 683849476 /nfs/dbraw/zinc/84/94/76/683849476.db2.gz LVCIALXIKHKCFF-STQMWFEESA-N 0 3 367.833 2.160 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1F ZINC000866985660 684191625 /nfs/dbraw/zinc/19/16/25/684191625.db2.gz KBRRPOSEHZSREH-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871156783 684791667 /nfs/dbraw/zinc/79/16/67/684791667.db2.gz MLKCTAGMHUPEFF-UHFFFAOYSA-N 0 3 352.410 2.356 20 5 FEBDHN COC[C@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCCN1 ZINC000876568423 686221509 /nfs/dbraw/zinc/22/15/09/686221509.db2.gz MLKRGDXTOKMCKP-INIZCTEOSA-N 0 3 355.822 2.365 20 5 FEBDHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877722609 686445170 /nfs/dbraw/zinc/44/51/70/686445170.db2.gz BRTGCRXFDWREEB-ZWNOBZJWSA-N 0 3 362.304 2.281 20 5 FEBDHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135177 687004003 /nfs/dbraw/zinc/00/40/03/687004003.db2.gz RFOLBWXHAACTFD-UONOGXRCSA-N 0 3 352.822 2.355 20 5 FEBDHN COCCN1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287799 687599518 /nfs/dbraw/zinc/59/95/18/687599518.db2.gz GTHVGFCNASOVIH-ZDUSSCGKSA-N 0 3 358.236 2.168 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCN1C1CCOCC1 ZINC000885868604 688174174 /nfs/dbraw/zinc/17/41/74/688174174.db2.gz LEBWOQHDNNPNTP-OAHLLOKOSA-N 0 3 367.833 2.160 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000893304073 689328508 /nfs/dbraw/zinc/32/85/08/689328508.db2.gz KBCNSJMMSCVRPL-ZFWWWQNUSA-N 0 3 374.846 2.074 20 5 FEBDHN Cn1nnc2c1C[C@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000897347125 690009853 /nfs/dbraw/zinc/00/98/53/690009853.db2.gz GJJFPYRYPNBHKS-LLVKDONJSA-N 0 3 355.320 2.389 20 5 FEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154086 690857174 /nfs/dbraw/zinc/85/71/74/690857174.db2.gz WXSHTNCHCYVJOG-OAUYIBNBSA-N 0 3 354.403 2.075 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000906458556 691271867 /nfs/dbraw/zinc/27/18/67/691271867.db2.gz GQYUSJLTQICUNX-CABCVRRESA-N 0 3 367.833 2.160 20 5 FEBDHN Nc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906332 721539645 /nfs/dbraw/zinc/53/96/45/721539645.db2.gz JVLKKUYLCDOHHS-ZFWWWQNUSA-N 0 3 373.388 2.053 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000033853143 539975778 /nfs/dbraw/zinc/97/57/78/539975778.db2.gz ZMIMBAYMHYCWDK-GOSISDBHSA-N 0 3 372.421 2.318 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000041894477 540038172 /nfs/dbraw/zinc/03/81/72/540038172.db2.gz BYPDDSLLIJMHTE-UHFFFAOYSA-N 0 3 364.446 2.206 20 5 FEBDHN C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000046408826 540255566 /nfs/dbraw/zinc/25/55/66/540255566.db2.gz LTMAVNXAXRPTFU-OAHLLOKOSA-N 0 3 360.458 2.412 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000048794447 540373810 /nfs/dbraw/zinc/37/38/10/540373810.db2.gz KQXTYJPABQUJSW-UHFFFAOYSA-N 0 3 362.430 2.222 20 5 FEBDHN Cc1noc(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000054677867 540602082 /nfs/dbraw/zinc/60/20/82/540602082.db2.gz CAHXGHQVHNZNDA-UHFFFAOYSA-N 0 3 359.386 2.494 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000055281147 540642728 /nfs/dbraw/zinc/64/27/28/540642728.db2.gz ZUGXTCIGTKBNSO-CYBMUJFWSA-N 0 3 371.459 2.004 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000055281047 540642887 /nfs/dbraw/zinc/64/28/87/540642887.db2.gz FZPUWVVYUQHDFR-CYBMUJFWSA-N 0 3 355.460 2.304 20 5 FEBDHN CCc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978414 541276182 /nfs/dbraw/zinc/27/61/82/541276182.db2.gz KQORVAVSISLUNV-UHFFFAOYSA-N 0 3 363.439 2.225 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)NCCN(C)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000066924450 541395198 /nfs/dbraw/zinc/39/51/98/541395198.db2.gz VSAYYWAECMPXKV-UHFFFAOYSA-N 0 3 371.441 2.280 20 5 FEBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067272095 541439149 /nfs/dbraw/zinc/43/91/49/541439149.db2.gz XNLZVNYYQCJPKA-CQSZACIVSA-N 0 3 372.429 2.026 20 5 FEBDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067419495 541462004 /nfs/dbraw/zinc/46/20/04/541462004.db2.gz NHKLDBPFNANKJE-OAHLLOKOSA-N 0 3 362.430 2.080 20 5 FEBDHN CCN1CCC(Nc2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000069691475 541704499 /nfs/dbraw/zinc/70/44/99/541704499.db2.gz VWSICTSKYMUURQ-UHFFFAOYSA-N 0 3 352.347 2.186 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000072064628 541782682 /nfs/dbraw/zinc/78/26/82/541782682.db2.gz CZTURWYWZQHOTE-UHFFFAOYSA-N 0 3 365.430 2.249 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c1 ZINC000073996338 542024453 /nfs/dbraw/zinc/02/44/53/542024453.db2.gz PGEFYRIIHNELRV-CABCVRRESA-N 0 3 361.398 2.080 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000078790876 542480554 /nfs/dbraw/zinc/48/05/54/542480554.db2.gz CJNDSXVZEGZGCL-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2c1cccc2CN1CCCC1 ZINC000081422795 542656431 /nfs/dbraw/zinc/65/64/31/542656431.db2.gz KLMRIKVHIFVSPV-UHFFFAOYSA-N 0 3 369.425 2.367 20 5 FEBDHN O=C(NC1CC1)c1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089603320 542766540 /nfs/dbraw/zinc/76/65/40/542766540.db2.gz JCVNYEDVCHFMJV-INIZCTEOSA-N 0 3 374.441 2.152 20 5 FEBDHN COc1cc(CN2CCC(c3nnc(C)[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000092736773 542884576 /nfs/dbraw/zinc/88/45/76/542884576.db2.gz IFHAKSIXUAETFZ-UHFFFAOYSA-N 0 3 361.402 2.418 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247435747 549333940 /nfs/dbraw/zinc/33/39/40/549333940.db2.gz PBHONBJCHGWFAV-MLGOLLRUSA-N 0 3 363.414 2.184 20 5 FEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000101957141 543051831 /nfs/dbraw/zinc/05/18/31/543051831.db2.gz WLYAHQRHIGMQIW-UHFFFAOYSA-N 0 3 350.375 2.334 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000103976508 543119834 /nfs/dbraw/zinc/11/98/34/543119834.db2.gz PBRHGJYMNJHUBR-OAHLLOKOSA-N 0 3 363.414 2.328 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000104730472 543140223 /nfs/dbraw/zinc/14/02/23/543140223.db2.gz OGISURYQDSNZAJ-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000105566621 543176787 /nfs/dbraw/zinc/17/67/87/543176787.db2.gz ZTLPRHTVKRGCLF-JTQLQIEISA-N 0 3 361.320 2.217 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891506 543253029 /nfs/dbraw/zinc/25/30/29/543253029.db2.gz GQWMDMRZWURJSS-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000106891804 543253064 /nfs/dbraw/zinc/25/30/64/543253064.db2.gz MYOPLNKXGPPNMX-AWEZNQCLSA-N 0 3 353.444 2.031 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115586098 543575870 /nfs/dbraw/zinc/57/58/70/543575870.db2.gz JDLPTGCGRDSUIW-LLVKDONJSA-N 0 3 361.851 2.211 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000119850250 543672882 /nfs/dbraw/zinc/67/28/82/543672882.db2.gz BAOIONSWHWWFTK-MRXNPFEDSA-N 0 3 362.430 2.015 20 5 FEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000123099524 543742108 /nfs/dbraw/zinc/74/21/08/543742108.db2.gz ZPGSHRHFCIQAMP-ZDUSSCGKSA-N 0 3 357.414 2.284 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123947458 543792681 /nfs/dbraw/zinc/79/26/81/543792681.db2.gz WVOUUIMQQKBUMF-ZYHUDNBSSA-N 0 3 350.375 2.366 20 5 FEBDHN COc1ccc(CN(C)CC(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000123956223 543793565 /nfs/dbraw/zinc/79/35/65/543793565.db2.gz CVBMDNRYZIWZBC-UHFFFAOYSA-N 0 3 351.447 2.394 20 5 FEBDHN CN(Cc1cccc(OC(F)(F)F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128177090 544036929 /nfs/dbraw/zinc/03/69/29/544036929.db2.gz KUUTURZGMNCBLS-ZDUSSCGKSA-N 0 3 374.319 2.183 20 5 FEBDHN CN1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000129961794 544133254 /nfs/dbraw/zinc/13/32/54/544133254.db2.gz AHQDDULAWOOVJR-MLGOLLRUSA-N 0 3 363.443 2.052 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000130407317 544149449 /nfs/dbraw/zinc/14/94/49/544149449.db2.gz TWOGMLRSXNLHMS-QGZVFWFLSA-N 0 3 350.415 2.116 20 5 FEBDHN Cc1nccn1CCCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000130418558 544149831 /nfs/dbraw/zinc/14/98/31/544149831.db2.gz WIRKSUWQCFBADI-UHFFFAOYSA-N 0 3 357.414 2.011 20 5 FEBDHN CN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000130515601 544154349 /nfs/dbraw/zinc/15/43/49/544154349.db2.gz MXKNWJWVPCEUPC-UHFFFAOYSA-N 0 3 350.600 2.302 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132219083 544223165 /nfs/dbraw/zinc/22/31/65/544223165.db2.gz AXXXAISNWLLAPD-OAHLLOKOSA-N 0 3 350.415 2.491 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134933150 544328592 /nfs/dbraw/zinc/32/85/92/544328592.db2.gz IKBKKODPWRHIDV-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169145 544512303 /nfs/dbraw/zinc/51/23/03/544512303.db2.gz QCDVQPQMTCYAHY-ZGMNHVEMSA-N 0 3 363.414 2.478 20 5 FEBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C1CC1 ZINC000151237178 544520229 /nfs/dbraw/zinc/52/02/29/544520229.db2.gz UVIBLFVIOQJASD-JTQLQIEISA-N 0 3 370.247 2.499 20 5 FEBDHN Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000151637384 544565395 /nfs/dbraw/zinc/56/53/95/544565395.db2.gz IRQOBJQMCKRPFR-AWEZNQCLSA-N 0 3 366.849 2.299 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189190713 328134027 /nfs/dbraw/zinc/13/40/27/328134027.db2.gz MZGVFOWIHGLWOP-WMZOPIPTSA-N 0 3 350.415 2.226 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@@H](OC)C1 ZINC000189256444 328137260 /nfs/dbraw/zinc/13/72/60/328137260.db2.gz NKMFZKKUCSPQEG-LRDDRELGSA-N 0 3 351.403 2.289 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000189442818 328148492 /nfs/dbraw/zinc/14/84/92/328148492.db2.gz RQTXIDLABLVWRB-ZDUSSCGKSA-N 0 3 354.426 2.428 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190346866 328201589 /nfs/dbraw/zinc/20/15/89/328201589.db2.gz VDTXMRBXDQETLM-LSDHHAIUSA-N 0 3 374.441 2.235 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000191903699 328287890 /nfs/dbraw/zinc/28/78/90/328287890.db2.gz UHPZKJITDOSVSC-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN COc1cccc(C(=O)NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000192464839 328320617 /nfs/dbraw/zinc/32/06/17/328320617.db2.gz STCFZPCCSRDZQY-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000192804985 328340639 /nfs/dbraw/zinc/34/06/39/328340639.db2.gz OKGIFHMYDWNWDB-LJQANCHMSA-N 0 3 373.457 2.193 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000026854413 324428880 /nfs/dbraw/zinc/42/88/80/324428880.db2.gz KTSUEKPJFIKVMQ-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000090551953 325363161 /nfs/dbraw/zinc/36/31/61/325363161.db2.gz MZCNJYPBOIQTSW-UKRRQHHQSA-N 0 3 363.439 2.406 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCNCc1cccnc1 ZINC000238029744 328538544 /nfs/dbraw/zinc/53/85/44/328538544.db2.gz XXHLTUAHEJFISH-UHFFFAOYSA-N 0 3 360.439 2.378 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000111102610 325700898 /nfs/dbraw/zinc/70/08/98/325700898.db2.gz DGEJSGKMVDJLJY-UHFFFAOYSA-N 0 3 362.430 2.063 20 5 FEBDHN COc1cc(CNCC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000114771384 325920508 /nfs/dbraw/zinc/92/05/08/325920508.db2.gz ZJSXJVXQMNJSRF-VIFPVBQESA-N 0 3 352.309 2.405 20 5 FEBDHN Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1OCCN1CCCC1 ZINC000119132881 326130299 /nfs/dbraw/zinc/13/02/99/326130299.db2.gz MNMDTJPHZAWKLG-UHFFFAOYSA-N 0 3 373.413 2.213 20 5 FEBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000121583929 326349348 /nfs/dbraw/zinc/34/93/48/326349348.db2.gz PQMZQYQXWLFJIL-UHFFFAOYSA-N 0 3 356.426 2.431 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000121762522 326364835 /nfs/dbraw/zinc/36/48/35/326364835.db2.gz OPFRNMQMPLKHHR-HIFRSBDPSA-N 0 3 365.455 2.232 20 5 FEBDHN CN(c1ccccc1)c1ccc(CNCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000123023507 326417629 /nfs/dbraw/zinc/41/76/29/326417629.db2.gz GBKPQLFXIIYBFQ-UHFFFAOYSA-N 0 3 357.410 2.461 20 5 FEBDHN Cc1cccc(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)c1[N+](=O)[O-] ZINC000126898814 326496975 /nfs/dbraw/zinc/49/69/75/326496975.db2.gz YVMNXCHMFYQEHV-OAHLLOKOSA-N 0 3 373.409 2.457 20 5 FEBDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000151816543 326691766 /nfs/dbraw/zinc/69/17/66/326691766.db2.gz YAUWFLIOUQPQDN-VIFPVBQESA-N 0 3 357.794 2.364 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000171369819 327135423 /nfs/dbraw/zinc/13/54/23/327135423.db2.gz LVWPXROXHHNCAV-UHFFFAOYSA-N 0 3 372.429 2.275 20 5 FEBDHN Cc1cc(S(=O)(=O)NCCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000172015677 327176383 /nfs/dbraw/zinc/17/63/83/327176383.db2.gz QGUWNQCXJKUJEQ-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1cc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000172018285 327176407 /nfs/dbraw/zinc/17/64/07/327176407.db2.gz ZZJCKXJESJMCMQ-ZDUSSCGKSA-N 0 3 355.460 2.304 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172604012 327210710 /nfs/dbraw/zinc/21/07/10/327210710.db2.gz ASZBMNZFCDRGQW-HIFRSBDPSA-N 0 3 357.414 2.193 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000173668148 327275231 /nfs/dbraw/zinc/27/52/31/327275231.db2.gz AGFLRVMXFAMOCD-CYBMUJFWSA-N 0 3 371.459 2.098 20 5 FEBDHN C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105429 327306475 /nfs/dbraw/zinc/30/64/75/327306475.db2.gz NESXSZRSCOPVPC-YOEHRIQHSA-N 0 3 364.446 2.408 20 5 FEBDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077907 327372425 /nfs/dbraw/zinc/37/24/25/327372425.db2.gz FXCJTSIDHXRGGT-RYUDHWBXSA-N 0 3 361.851 2.399 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000175089607 327373470 /nfs/dbraw/zinc/37/34/70/327373470.db2.gz YZROREHJYZATOV-KBPBESRZSA-N 0 3 355.460 2.363 20 5 FEBDHN Cc1sc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000264726455 329053850 /nfs/dbraw/zinc/05/38/50/329053850.db2.gz HKWBVEMDWJQRHC-UHFFFAOYSA-N 0 3 366.487 2.064 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000264746612 329056114 /nfs/dbraw/zinc/05/61/14/329056114.db2.gz LAISHBFONYVQAX-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920583 329172724 /nfs/dbraw/zinc/17/27/24/329172724.db2.gz CAQIJLIYKIAPRA-YPMHNXCESA-N 0 3 351.403 2.167 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266285559 329207927 /nfs/dbraw/zinc/20/79/27/329207927.db2.gz KPEGGJJRXYLBKA-GFCCVEGCSA-N 0 3 359.423 2.229 20 5 FEBDHN COCCCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268072864 329382560 /nfs/dbraw/zinc/38/25/60/329382560.db2.gz FQYZYFVCLBNCQS-UHFFFAOYSA-N 0 3 358.826 2.016 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3cccs3)CC2)n1 ZINC000270747361 329627832 /nfs/dbraw/zinc/62/78/32/329627832.db2.gz BJIGTXBNNBYEFC-UHFFFAOYSA-N 0 3 363.443 2.032 20 5 FEBDHN CS[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274706432 329972684 /nfs/dbraw/zinc/97/26/84/329972684.db2.gz WJCXWNQQEAIMQR-QWRGUYRKSA-N 0 3 353.473 2.320 20 5 FEBDHN Cc1ccc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000371467165 330245643 /nfs/dbraw/zinc/24/56/43/330245643.db2.gz WPEQUHNKTFDVMC-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)(C(F)F)CC1 ZINC000426243894 330271544 /nfs/dbraw/zinc/27/15/44/330271544.db2.gz FYYKHGQQIACTFN-UHFFFAOYSA-N 0 3 357.357 2.324 20 5 FEBDHN CN(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555142983 674349565 /nfs/dbraw/zinc/34/95/65/674349565.db2.gz RJLGHFDPCQYWIS-ZDUSSCGKSA-N 0 3 363.805 2.457 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942224 534145631 /nfs/dbraw/zinc/14/56/31/534145631.db2.gz RKZCULSRISTJBM-ZIAGYGMSSA-N 0 3 362.430 2.101 20 5 FEBDHN CCCN1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000156509754 545631975 /nfs/dbraw/zinc/63/19/75/545631975.db2.gz RTMMBYPWFZYXQZ-UHFFFAOYSA-N 0 3 357.414 2.338 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156641300 545642394 /nfs/dbraw/zinc/64/23/94/545642394.db2.gz XUIWGSFLUGDNSF-BBRMVZONSA-N 0 3 354.410 2.427 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176000924 546388028 /nfs/dbraw/zinc/38/80/28/546388028.db2.gz LLOVBOSSFRPBTM-AWEZNQCLSA-N 0 3 364.446 2.374 20 5 FEBDHN CN(C)[C@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000480277448 561206340 /nfs/dbraw/zinc/20/63/40/561206340.db2.gz WWXNRSUDXLUEJU-KRWDZBQOSA-N 0 3 366.487 2.340 20 5 FEBDHN CSc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000480288108 561206477 /nfs/dbraw/zinc/20/64/77/561206477.db2.gz HHXIRGBEUABJOJ-OAHLLOKOSA-N 0 3 355.485 2.484 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CN1C1CC1 ZINC000177094513 546543756 /nfs/dbraw/zinc/54/37/56/546543756.db2.gz NIALHKMTZBCBHD-TZMCWYRMSA-N 0 3 355.398 2.136 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177142624 546553350 /nfs/dbraw/zinc/55/33/50/546553350.db2.gz KTDXFAVYKSMJFE-STQMWFEESA-N 0 3 355.398 2.136 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161190 546558489 /nfs/dbraw/zinc/55/84/89/546558489.db2.gz WEECYGFNDQZOPH-NWDGAFQWSA-N 0 3 363.414 2.357 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1OC ZINC000177205898 546569746 /nfs/dbraw/zinc/56/97/46/546569746.db2.gz DVBYBEWPPVXCAJ-VXGBXAGGSA-N 0 3 363.414 2.357 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177318984 546593069 /nfs/dbraw/zinc/59/30/69/546593069.db2.gz GEOTZDWCMPRNBE-WBVHZDCISA-N 0 3 358.442 2.043 20 5 FEBDHN COCCCN(C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177345545 546597509 /nfs/dbraw/zinc/59/75/09/546597509.db2.gz YUBIKGYYEJPBAY-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN CCO[C@@H]1C[C@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482515971 561255329 /nfs/dbraw/zinc/25/53/29/561255329.db2.gz BAQVZWIJHIFXLA-MVQRFQBOSA-N 0 3 351.403 2.094 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000180640792 547148481 /nfs/dbraw/zinc/14/84/81/547148481.db2.gz BWEPXNHRCJGZKF-UHFFFAOYSA-N 0 3 354.410 2.355 20 5 FEBDHN CCN(CC)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000181513988 547327253 /nfs/dbraw/zinc/32/72/53/547327253.db2.gz SVWMHLHHPINLCI-LLVKDONJSA-N 0 3 361.489 2.228 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000483407322 561276237 /nfs/dbraw/zinc/27/62/37/561276237.db2.gz MXVHAGDZXWNZLV-LSDHHAIUSA-N 0 3 353.419 2.386 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000183289697 547633881 /nfs/dbraw/zinc/63/38/81/547633881.db2.gz SBTFTBGXMHWYNA-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183897663 547736233 /nfs/dbraw/zinc/73/62/33/547736233.db2.gz YWFFUXDUFQPGRF-LLVKDONJSA-N 0 3 371.319 2.369 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000184206331 547786439 /nfs/dbraw/zinc/78/64/39/547786439.db2.gz WTGFURLMYSSFKG-CYBMUJFWSA-N 0 3 371.434 2.291 20 5 FEBDHN COCCCN(C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184673697 547863526 /nfs/dbraw/zinc/86/35/26/547863526.db2.gz JPYPHDXPGOPQFP-UHFFFAOYSA-N 0 3 358.826 2.016 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185181269 547948022 /nfs/dbraw/zinc/94/80/22/547948022.db2.gz YIVKLQGCJJASKI-BBRMVZONSA-N 0 3 354.410 2.427 20 5 FEBDHN CCOC(=O)c1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000186815280 548199089 /nfs/dbraw/zinc/19/90/89/548199089.db2.gz KVLOFFJEWHSUJO-CYBMUJFWSA-N 0 3 365.430 2.053 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)N(C)C ZINC000193099176 548380080 /nfs/dbraw/zinc/38/00/80/548380080.db2.gz XXNOCMXWKQJKGG-CQSZACIVSA-N 0 3 373.475 2.248 20 5 FEBDHN COCCNCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237335457 548819338 /nfs/dbraw/zinc/81/93/38/548819338.db2.gz ICFWCPIUIGHDQA-UHFFFAOYSA-N 0 3 358.398 2.304 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246129063 549058282 /nfs/dbraw/zinc/05/82/82/549058282.db2.gz REOXSDDYRZLNPN-RHSMWYFYSA-N 0 3 357.414 2.434 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000488493718 561390672 /nfs/dbraw/zinc/39/06/72/561390672.db2.gz YFWDBBJFFBOSFR-XZOAIXRZSA-N 0 3 357.414 2.482 20 5 FEBDHN COC(=O)c1cc(C)nc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488734733 561395601 /nfs/dbraw/zinc/39/56/01/561395601.db2.gz RPLHDSSHMGKVJI-YWPYICTPSA-N 0 3 362.430 2.251 20 5 FEBDHN O=C(CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246983790 549256453 /nfs/dbraw/zinc/25/64/53/549256453.db2.gz WBLLTRQOKAHFFW-WMLDXEAASA-N 0 3 358.442 2.482 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247312920 549315525 /nfs/dbraw/zinc/31/55/25/549315525.db2.gz FVTOGSXVWDDAIH-GOEBONIOSA-N 0 3 367.471 2.316 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000247307288 549315763 /nfs/dbraw/zinc/31/57/63/549315763.db2.gz QFWBOVPZEVXOOU-WFASDCNBSA-N 0 3 351.378 2.055 20 5 FEBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(Cc2ccccc2)CC1 ZINC000247358505 549323488 /nfs/dbraw/zinc/32/34/88/549323488.db2.gz DLRBDCPNMSBTQX-UHFFFAOYSA-N 0 3 365.393 2.429 20 5 FEBDHN Cn1ccnc1C[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463936 549445787 /nfs/dbraw/zinc/44/57/87/549445787.db2.gz QTCIURUHDLSIER-HZPDHXFCSA-N 0 3 374.441 2.023 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000248750476 549496163 /nfs/dbraw/zinc/49/61/63/549496163.db2.gz UEOKFGGWHNJVHS-GUYCJALGSA-N 0 3 365.455 2.232 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000249144748 549560600 /nfs/dbraw/zinc/56/06/00/549560600.db2.gz ZWYSJLWFCFYQME-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN CC1(C)CCC[NH2+][C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261847803 549762607 /nfs/dbraw/zinc/76/26/07/549762607.db2.gz JEJWHRBZTNDUGZ-ZDUSSCGKSA-N 0 3 361.851 2.305 20 5 FEBDHN Cc1cnc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000491320796 561444742 /nfs/dbraw/zinc/44/47/42/561444742.db2.gz HLYCLCRVSMHUTI-LJQANCHMSA-N 0 3 356.426 2.371 20 5 FEBDHN CN1CCC(Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000269380116 550188088 /nfs/dbraw/zinc/18/80/88/550188088.db2.gz RUOWLMPKROEWCQ-UHFFFAOYSA-N 0 3 363.805 2.300 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1=O ZINC000270151287 550252407 /nfs/dbraw/zinc/25/24/07/550252407.db2.gz RDXBKTVLBDXYIL-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270875799 550316303 /nfs/dbraw/zinc/31/63/03/550316303.db2.gz JQPWTSHWKMYBIR-UHFFFAOYSA-N 0 3 360.458 2.225 20 5 FEBDHN CCOc1ccc([C@H](C)NCCCN(C)S(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000271181270 550349552 /nfs/dbraw/zinc/34/95/52/550349552.db2.gz VYGYKUNUQIWINY-ZDUSSCGKSA-N 0 3 373.475 2.316 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000271433937 550375019 /nfs/dbraw/zinc/37/50/19/550375019.db2.gz SCITVNPMFGOUJG-GOEBONIOSA-N 0 3 371.441 2.453 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272262674 550432458 /nfs/dbraw/zinc/43/24/58/550432458.db2.gz AVIMHEJZYXSGQR-MEDUHNTESA-N 0 3 356.382 2.015 20 5 FEBDHN Cc1cc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000273147484 550487194 /nfs/dbraw/zinc/48/71/94/550487194.db2.gz LFNVTQSYWSWCHU-OAHLLOKOSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000273147484 550487195 /nfs/dbraw/zinc/48/71/95/550487195.db2.gz LFNVTQSYWSWCHU-OAHLLOKOSA-N 0 3 360.414 2.246 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCCO)Cc1ccccc1 ZINC000273278223 550492699 /nfs/dbraw/zinc/49/26/99/550492699.db2.gz CXGCYHFKLCVBNX-QGZVFWFLSA-N 0 3 360.410 2.219 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274511410 550541513 /nfs/dbraw/zinc/54/15/13/550541513.db2.gz XOWOTPACIJDXCO-CYBMUJFWSA-N 0 3 360.414 2.097 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277511486 550679472 /nfs/dbraw/zinc/67/94/72/550679472.db2.gz QCHCJRCWNMLAEG-CYBMUJFWSA-N 0 3 366.418 2.226 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000277709322 550704693 /nfs/dbraw/zinc/70/46/93/550704693.db2.gz WNLYEZIXOMVPSC-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733773 550707928 /nfs/dbraw/zinc/70/79/28/550707928.db2.gz OHJFJZVUQFIQLR-QWHCGFSZSA-N 0 3 374.445 2.391 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000496211829 561493144 /nfs/dbraw/zinc/49/31/44/561493144.db2.gz SYLRALPSSXLBBF-MRXNPFEDSA-N 0 3 371.441 2.455 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCC23CCOCC3)cc1 ZINC000282040904 551172952 /nfs/dbraw/zinc/17/29/52/551172952.db2.gz LNBNKAPCCXORBD-INIZCTEOSA-N 0 3 368.455 2.307 20 5 FEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000282478888 551234798 /nfs/dbraw/zinc/23/47/98/551234798.db2.gz LMGJGIHEKZZXJK-SFHVURJKSA-N 0 3 361.442 2.239 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282749724 551266275 /nfs/dbraw/zinc/26/62/75/551266275.db2.gz BBOORNUBUHUKJD-CQSZACIVSA-N 0 3 365.821 2.172 20 5 FEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276649 551340226 /nfs/dbraw/zinc/34/02/26/551340226.db2.gz WXHSFCUJCATINT-NWDGAFQWSA-N 0 3 367.402 2.109 20 5 FEBDHN COC(=O)c1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000285875803 551822255 /nfs/dbraw/zinc/82/22/55/551822255.db2.gz QOIGIPQOJQAVAZ-LRDDRELGSA-N 0 3 361.398 2.080 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247895 551865560 /nfs/dbraw/zinc/86/55/60/551865560.db2.gz SBCFOVFFTXUEFA-OCCSQVGLSA-N 0 3 351.403 2.073 20 5 FEBDHN CN(C)C/C=C/C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286436794 551885273 /nfs/dbraw/zinc/88/52/73/551885273.db2.gz XSWIXNWAPKAADK-ONEGZZNKSA-N 0 3 368.231 2.360 20 5 FEBDHN Nc1nc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000286497001 551892818 /nfs/dbraw/zinc/89/28/18/551892818.db2.gz XUZPEEWLZRXIFP-GOSISDBHSA-N 0 3 354.414 2.069 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000287749482 552042058 /nfs/dbraw/zinc/04/20/58/552042058.db2.gz ARELCYQPZGWWDK-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499897259 561560877 /nfs/dbraw/zinc/56/08/77/561560877.db2.gz QHQAXHSFJQOREL-CQSZACIVSA-N 0 3 360.414 2.259 20 5 FEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000500176532 561567361 /nfs/dbraw/zinc/56/73/61/561567361.db2.gz FRIIURODLJKDMT-YOEHRIQHSA-N 0 3 374.445 2.090 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291085025 552585394 /nfs/dbraw/zinc/58/53/94/552585394.db2.gz HBCSRJBXHBQBBG-CQSZACIVSA-N 0 3 353.423 2.026 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOC[C@@H](C2CCC2)C1 ZINC000292077171 552691387 /nfs/dbraw/zinc/69/13/87/552691387.db2.gz FHDCDPRKAZJLNG-HOTGVXAUSA-N 0 3 350.415 2.083 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC000292083295 552691950 /nfs/dbraw/zinc/69/19/50/552691950.db2.gz CQUPDEDEIUXXRU-HXUWFJFHSA-N 0 3 372.469 2.365 20 5 FEBDHN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN(C2CCC2)C1 ZINC000293760945 552853774 /nfs/dbraw/zinc/85/37/74/552853774.db2.gz UIXRPQLRESKVMG-LBPRGKRZSA-N 0 3 357.414 2.418 20 5 FEBDHN Cc1c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294223560 552889196 /nfs/dbraw/zinc/88/91/96/552889196.db2.gz RFNXKOKDRPWDPS-QGZVFWFLSA-N 0 3 362.386 2.369 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295340366 552990471 /nfs/dbraw/zinc/99/04/71/552990471.db2.gz NLPYFVIDTBYLSU-YOGCLGLASA-N 0 3 373.862 2.460 20 5 FEBDHN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295360773 552994006 /nfs/dbraw/zinc/99/40/06/552994006.db2.gz OAPPAEOUXGNUOQ-AWEZNQCLSA-N 0 3 369.425 2.337 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502682834 561623424 /nfs/dbraw/zinc/62/34/24/561623424.db2.gz XFSJUJNJVJFJFU-AFAVFJNCSA-N 0 3 365.405 2.159 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000502695390 561623482 /nfs/dbraw/zinc/62/34/82/561623482.db2.gz RQALBXGTOSVLDF-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000296557871 553179114 /nfs/dbraw/zinc/17/91/14/553179114.db2.gz NMHLPBFNRUIJOG-LBPRGKRZSA-N 0 3 368.409 2.073 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000297446399 553292957 /nfs/dbraw/zinc/29/29/57/553292957.db2.gz SCTXYKHOXAYOFW-ZDUSSCGKSA-N 0 3 362.430 2.229 20 5 FEBDHN CC1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000297736845 553332233 /nfs/dbraw/zinc/33/22/33/553332233.db2.gz CWNPOQMYRBVLKC-UHFFFAOYSA-N 0 3 368.821 2.035 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297861671 553349311 /nfs/dbraw/zinc/34/93/11/553349311.db2.gz IACQJTRUMCDOGD-GOEBONIOSA-N 0 3 364.446 2.110 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000297978172 553365350 /nfs/dbraw/zinc/36/53/50/553365350.db2.gz VXUSUACTVHOWAQ-UHFFFAOYSA-N 0 3 362.430 2.142 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000298065174 553379562 /nfs/dbraw/zinc/37/95/62/553379562.db2.gz JCWYGHPMSATLDC-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN CN(C)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1cccs1 ZINC000298799442 553474493 /nfs/dbraw/zinc/47/44/93/553474493.db2.gz QIVMDVKCVTXJQT-ZDUSSCGKSA-N 0 3 370.456 2.019 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000299450106 553564721 /nfs/dbraw/zinc/56/47/21/553564721.db2.gz ZBRYIOYMVCAHPY-UHFFFAOYSA-N 0 3 374.397 2.025 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301085683 553620206 /nfs/dbraw/zinc/62/02/06/553620206.db2.gz JEFJXODSSXEFGA-LLVKDONJSA-N 0 3 352.391 2.448 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC000301274870 553638140 /nfs/dbraw/zinc/63/81/40/553638140.db2.gz IPEPHTQDCUGPCK-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCc2ccccc2C1 ZINC000301922557 553692171 /nfs/dbraw/zinc/69/21/71/553692171.db2.gz LJMHEWYCGYYGAV-CYBMUJFWSA-N 0 3 352.398 2.496 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000507764401 561740149 /nfs/dbraw/zinc/74/01/49/561740149.db2.gz VHEJDHDOSKLZRE-UHFFFAOYSA-N 0 3 366.393 2.007 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000332080175 554376010 /nfs/dbraw/zinc/37/60/10/554376010.db2.gz JIOGUEBGUBQVKU-GJZGRUSLSA-N 0 3 353.419 2.386 20 5 FEBDHN CC(C)c1n[n-]c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000332114414 554383055 /nfs/dbraw/zinc/38/30/55/554383055.db2.gz USTKAJYHAYADNU-UHFFFAOYSA-N 0 3 360.418 2.270 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000332461709 554450119 /nfs/dbraw/zinc/45/01/19/554450119.db2.gz JLWIYNRKAQEHFB-OKILXGFUSA-N 0 3 364.446 2.274 20 5 FEBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])nn4C)n3)cc21 ZINC000350103555 554759970 /nfs/dbraw/zinc/75/99/70/554759970.db2.gz XBWJIJUUBPRUGM-GFCCVEGCSA-N 0 3 372.366 2.402 20 5 FEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCN(C2CCOCC2)CC1 ZINC000363058790 555020834 /nfs/dbraw/zinc/02/08/34/555020834.db2.gz WJVZBTSVIBPTTQ-QPJJXVBHSA-N 0 3 359.426 2.321 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363086986 555027368 /nfs/dbraw/zinc/02/73/68/555027368.db2.gz QKJKMNNRXWKOMO-MRXNPFEDSA-N 0 3 371.441 2.279 20 5 FEBDHN Cc1sc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000363145914 555039926 /nfs/dbraw/zinc/03/99/26/555039926.db2.gz UDNRWCIUBGZKMV-JSGCOSHPSA-N 0 3 366.487 2.063 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1cccc([N+](=O)[O-])c1 ZINC000363532841 555130368 /nfs/dbraw/zinc/13/03/68/555130368.db2.gz DONQDRVMYUQKHU-UHFFFAOYSA-N 0 3 372.473 2.068 20 5 FEBDHN C[C@@H]1OCC[C@]12CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929027 555216265 /nfs/dbraw/zinc/21/62/65/555216265.db2.gz UQUUNPNGGRAEJF-GLJUWKHASA-N 0 3 363.414 2.192 20 5 FEBDHN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000364074906 555245120 /nfs/dbraw/zinc/24/51/20/555245120.db2.gz USYKVIAEYBVAGB-OAHLLOKOSA-N 0 3 371.441 2.442 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364143941 555257889 /nfs/dbraw/zinc/25/78/89/555257889.db2.gz NZVKGXNORBXRBW-FYWRMAATSA-N 0 3 361.442 2.303 20 5 FEBDHN N[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364195280 555267485 /nfs/dbraw/zinc/26/74/85/555267485.db2.gz MBKJHXVUZPPRHY-HUUCEWRRSA-N 0 3 358.373 2.099 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000364479605 555321448 /nfs/dbraw/zinc/32/14/48/555321448.db2.gz MKIXIKQTSSGHSN-UHFFFAOYSA-N 0 3 369.425 2.130 20 5 FEBDHN CN1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000364553293 555336445 /nfs/dbraw/zinc/33/64/45/555336445.db2.gz CAPFYGRVCJISFX-KXBFYZLASA-N 0 3 369.425 2.211 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000364915899 555435963 /nfs/dbraw/zinc/43/59/63/555435963.db2.gz MVXBCWRZBYMXHE-KSSFIOAISA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1nnc(C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000365111153 555487965 /nfs/dbraw/zinc/48/79/65/555487965.db2.gz VARQCQDWULPNOU-LLVKDONJSA-N 0 3 358.402 2.228 20 5 FEBDHN Cc1nnc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)[nH]1 ZINC000366004585 555724954 /nfs/dbraw/zinc/72/49/54/555724954.db2.gz HTNBHZQZBBWAOA-UHFFFAOYSA-N 0 3 359.386 2.267 20 5 FEBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]12 ZINC000366478519 555855829 /nfs/dbraw/zinc/85/58/29/555855829.db2.gz FCCOHQOFPLFMNW-TZMCWYRMSA-N 0 3 371.418 2.418 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366565353 555877140 /nfs/dbraw/zinc/87/71/40/555877140.db2.gz UQEFCFNDZHIOTA-DZGCQCFKSA-N 0 3 365.434 2.123 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2ccccc2[C@@H]1O ZINC000367308948 556015128 /nfs/dbraw/zinc/01/51/28/556015128.db2.gz RSBNALZUFNTBSU-FXHACXQTSA-N 0 3 371.393 2.396 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC000368336299 556280636 /nfs/dbraw/zinc/28/06/36/556280636.db2.gz MKCAPYIPMWERPG-UHFFFAOYSA-N 0 3 356.382 2.385 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000368594800 556357379 /nfs/dbraw/zinc/35/73/79/556357379.db2.gz XLTBHYVPQMSGHP-ZBEGNZNMSA-N 0 3 356.382 2.015 20 5 FEBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976427 556465383 /nfs/dbraw/zinc/46/53/83/556465383.db2.gz WGKZQPTZRZXLQD-SIIHOXLZSA-N 0 3 370.409 2.378 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369308924 556570745 /nfs/dbraw/zinc/57/07/45/556570745.db2.gz CYOVFEYTHSCXIE-UHFFFAOYSA-N 0 3 360.458 2.085 20 5 FEBDHN CC[C@@H](C)N[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612520 562093802 /nfs/dbraw/zinc/09/38/02/562093802.db2.gz KZZHVUYCRUMSAZ-OCCSQVGLSA-N 0 3 363.418 2.328 20 5 FEBDHN Cc1ccnc(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371794021 557295620 /nfs/dbraw/zinc/29/56/20/557295620.db2.gz CXFPOGCKOVPSLE-QGZVFWFLSA-N 0 3 372.425 2.313 20 5 FEBDHN O=C1C[C@H]([C@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000372333763 557442998 /nfs/dbraw/zinc/44/29/98/557442998.db2.gz PJALTZBXYPHPCW-DZGCQCFKSA-N 0 3 371.397 2.135 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000372521882 557491343 /nfs/dbraw/zinc/49/13/43/557491343.db2.gz KRYIPIPQPIAIOZ-BPQIPLTHSA-N 0 3 361.442 2.143 20 5 FEBDHN Cc1nn(C)c(C(=O)NCCN2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000374204776 557843022 /nfs/dbraw/zinc/84/30/22/557843022.db2.gz LPRLVTWUZNGWTJ-UHFFFAOYSA-N 0 3 363.462 2.413 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520978258 562166805 /nfs/dbraw/zinc/16/68/05/562166805.db2.gz WWNWUKAXVYNYIP-KBPBESRZSA-N 0 3 372.429 2.168 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000375062042 557972102 /nfs/dbraw/zinc/97/21/02/557972102.db2.gz RVZFWQPKNNNBOI-HNAYVOBHSA-N 0 3 372.469 2.364 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2ccccc2F)c1 ZINC000521360178 562174775 /nfs/dbraw/zinc/17/47/75/562174775.db2.gz BZMMCZYMXXKFOU-AWEZNQCLSA-N 0 3 350.346 2.142 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569791 558191963 /nfs/dbraw/zinc/19/19/63/558191963.db2.gz PXSXQGCPZYQMOT-KBXCAEBGSA-N 0 3 369.425 2.479 20 5 FEBDHN CN1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377645958 558385327 /nfs/dbraw/zinc/38/53/27/558385327.db2.gz GVSMJYIXTSDERD-SJLPKXTDSA-N 0 3 372.400 2.368 20 5 FEBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000522650438 562201064 /nfs/dbraw/zinc/20/10/64/562201064.db2.gz MUVPRTBEWWKNNK-LBPRGKRZSA-N 0 3 353.806 2.370 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCN(CCc2ccccn2)CC1 ZINC000522814806 562204312 /nfs/dbraw/zinc/20/43/12/562204312.db2.gz VCCQIPURQYFWPL-UHFFFAOYSA-N 0 3 357.414 2.097 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000408342947 558669014 /nfs/dbraw/zinc/66/90/14/558669014.db2.gz MFXMEHRSLMZZBV-CABCVRRESA-N 0 3 353.444 2.117 20 5 FEBDHN COc1cc(C(=O)N2CCCC[C@H]2CN(C)C)cc([N+](=O)[O-])c1OC ZINC000525054764 562239871 /nfs/dbraw/zinc/23/98/71/562239871.db2.gz GZRYVQWGVWOAAP-ZDUSSCGKSA-N 0 3 351.403 2.168 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411535206 558912467 /nfs/dbraw/zinc/91/24/67/558912467.db2.gz QTXUMXIQWRZSFO-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411907962 558985990 /nfs/dbraw/zinc/98/59/90/558985990.db2.gz CNQGTINLFIMATI-ZHALLVOQSA-N 0 3 358.394 2.142 20 5 FEBDHN COc1ccc(CN2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411967505 558996954 /nfs/dbraw/zinc/99/69/54/558996954.db2.gz DEORPZXMZDOXBN-CVEARBPZSA-N 0 3 355.394 2.304 20 5 FEBDHN Cc1c(CS(=O)(=O)C2C[C@@H]3CCCC[C@H]3NC2=O)cccc1[N+](=O)[O-] ZINC000414421088 559162980 /nfs/dbraw/zinc/16/29/80/559162980.db2.gz XFZRNYYMSBNPBE-JGGQBBKZSA-N 0 3 366.439 2.265 20 5 FEBDHN COc1c(C(=O)Nc2cnccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000527235707 562281484 /nfs/dbraw/zinc/28/14/84/562281484.db2.gz BKBYQFSTXSNCJN-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN COc1c(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000527235707 562281485 /nfs/dbraw/zinc/28/14/85/562281485.db2.gz BKBYQFSTXSNCJN-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(OC3CCC3)CC2)c1 ZINC000419292723 559435547 /nfs/dbraw/zinc/43/55/47/559435547.db2.gz ZDYIWSOIEXWANW-OAHLLOKOSA-N 0 3 350.415 2.368 20 5 FEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420404137 559485999 /nfs/dbraw/zinc/48/59/99/559485999.db2.gz OBEKTAKAJCISFK-PZPSRYQVSA-N 0 3 372.400 2.488 20 5 FEBDHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449897 559487929 /nfs/dbraw/zinc/48/79/29/559487929.db2.gz GOQNSSTUJMJHLW-SCZZXKLOSA-N 0 3 367.349 2.019 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000420476010 559489714 /nfs/dbraw/zinc/48/97/14/559489714.db2.gz OOGUSPXDNHSNTB-CQSZACIVSA-N 0 3 361.423 2.290 20 5 FEBDHN COC1([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000421028659 559520805 /nfs/dbraw/zinc/52/08/05/559520805.db2.gz HSCRDBWPEQBLNN-NSHDSACASA-N 0 3 371.821 2.360 20 5 FEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421707688 559550240 /nfs/dbraw/zinc/55/02/40/559550240.db2.gz YDBNJNMPBMIZJG-OAHLLOKOSA-N 0 3 357.414 2.162 20 5 FEBDHN N[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039089 559615987 /nfs/dbraw/zinc/61/59/87/559615987.db2.gz PRSLKYAGAGKZMF-IAGOWNOFSA-N 0 3 361.423 2.103 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000424443111 559665101 /nfs/dbraw/zinc/66/51/01/559665101.db2.gz BGALYVWXKJVIOU-CYBMUJFWSA-N 0 3 370.409 2.486 20 5 FEBDHN Cn1cc(CN2CC[C@@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425352484 559698023 /nfs/dbraw/zinc/69/80/23/559698023.db2.gz HRTHJAAEPVUJTI-CYBMUJFWSA-N 0 3 353.386 2.103 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000427455602 559755913 /nfs/dbraw/zinc/75/59/13/559755913.db2.gz CVOSZOJTDLCNSB-UHFFFAOYSA-N 0 3 358.398 2.202 20 5 FEBDHN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])n(C2CCN(C)CC2)n1 ZINC000430453752 559820445 /nfs/dbraw/zinc/82/04/45/559820445.db2.gz ISGWODIILVKEQK-UHFFFAOYSA-N 0 3 373.413 2.384 20 5 FEBDHN C[C@H]1CN(CCCNc2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000432862363 559866683 /nfs/dbraw/zinc/86/66/83/559866683.db2.gz DSJPMLJFNSUOPM-NSHDSACASA-N 0 3 373.251 2.087 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@]3(O)CCO[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206096 559873656 /nfs/dbraw/zinc/87/36/56/559873656.db2.gz GMVWKRGOLYEFEH-KPZWWZAWSA-N 0 3 362.382 2.493 20 5 FEBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000434791787 559909472 /nfs/dbraw/zinc/90/94/72/559909472.db2.gz BINYNLWPNAJTHJ-HOTGVXAUSA-N 0 3 351.403 2.015 20 5 FEBDHN CC(C)CCO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000434993136 559913853 /nfs/dbraw/zinc/91/38/53/559913853.db2.gz YUKVHMFREUHJDX-SJLPKXTDSA-N 0 3 352.431 2.472 20 5 FEBDHN CN(CC(=O)N1CCNCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435390667 559921982 /nfs/dbraw/zinc/92/19/82/559921982.db2.gz SWSPKZFHPIKOEH-UHFFFAOYSA-N 0 3 374.466 2.187 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1CCOC ZINC000439910504 560001824 /nfs/dbraw/zinc/00/18/24/560001824.db2.gz HMJIFRVRRXVXCX-CQSZACIVSA-N 0 3 366.418 2.226 20 5 FEBDHN CN(C)Cc1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444636300 560117349 /nfs/dbraw/zinc/11/73/49/560117349.db2.gz NPKAMUOYIAQAIR-UHFFFAOYSA-N 0 3 353.382 2.463 20 5 FEBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576097 560164730 /nfs/dbraw/zinc/16/47/30/560164730.db2.gz WKKRXOOESYDTNY-IAGOWNOFSA-N 0 3 371.441 2.224 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449871611 560243436 /nfs/dbraw/zinc/24/34/36/560243436.db2.gz TWXCEGVZJNOTTP-AWEZNQCLSA-N 0 3 357.414 2.194 20 5 FEBDHN O=C(CCN1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882279 560334234 /nfs/dbraw/zinc/33/42/34/560334234.db2.gz CMUPSPDAHFIIGL-HZMBPMFUSA-N 0 3 361.320 2.169 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452358053 560359977 /nfs/dbraw/zinc/35/99/77/560359977.db2.gz FSVCDOYLNSZMRH-SJLPKXTDSA-N 0 3 363.458 2.127 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453141986 560383710 /nfs/dbraw/zinc/38/37/10/560383710.db2.gz KEKPRXUHMUYTSC-KRWDZBQOSA-N 0 3 367.471 2.432 20 5 FEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457044711 560545533 /nfs/dbraw/zinc/54/55/33/560545533.db2.gz YBKDJLHNBHVFFP-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000460894907 560754793 /nfs/dbraw/zinc/75/47/93/560754793.db2.gz MOHOVJWNBYXWPI-UHFFFAOYSA-N 0 3 373.475 2.346 20 5 FEBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463454189 560815588 /nfs/dbraw/zinc/81/55/88/560815588.db2.gz MLKMXMWAORDILH-UPJWGTAASA-N 0 3 350.341 2.205 20 5 FEBDHN COCC[C@H](CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000466477181 560887696 /nfs/dbraw/zinc/88/76/96/560887696.db2.gz HUOKCEAYTAKCCZ-GFCCVEGCSA-N 0 3 350.371 2.350 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020994 560901735 /nfs/dbraw/zinc/90/17/35/560901735.db2.gz DAIHEBCVCZFTDS-BXUZGUMPSA-N 0 3 363.414 2.215 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724298 560916029 /nfs/dbraw/zinc/91/60/29/560916029.db2.gz RWHCHRDSYYAAOE-WMLDXEAASA-N 0 3 372.469 2.410 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000468472659 560930809 /nfs/dbraw/zinc/93/08/09/560930809.db2.gz MHYVGJCBUINUMR-INIZCTEOSA-N 0 3 365.430 2.219 20 5 FEBDHN CC(C)c1ccc(CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000470019090 560972361 /nfs/dbraw/zinc/97/23/61/560972361.db2.gz RDEQNIPZKQJHBT-KRWDZBQOSA-N 0 3 374.485 2.362 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134260 560975015 /nfs/dbraw/zinc/97/50/15/560975015.db2.gz CQFYZYNESLXKJY-OAHLLOKOSA-N 0 3 354.382 2.308 20 5 FEBDHN O=C(c1ccc2c(c1)CNC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000470372974 560980032 /nfs/dbraw/zinc/98/00/32/560980032.db2.gz LGWAZGRLHIFREP-UHFFFAOYSA-N 0 3 352.394 2.160 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@@H]1C(C)C ZINC000471205741 561000368 /nfs/dbraw/zinc/00/03/68/561000368.db2.gz WKKAVTWCCPHINK-MRXNPFEDSA-N 0 3 364.446 2.204 20 5 FEBDHN CCN1CCC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cnn(C)c1 ZINC000471495704 561005823 /nfs/dbraw/zinc/00/58/23/561005823.db2.gz IKDXQGNELJCJKT-SUMWQHHRSA-N 0 3 374.445 2.202 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000472559555 561029283 /nfs/dbraw/zinc/02/92/83/561029283.db2.gz KSSBIZMHFVXRBQ-UHFFFAOYSA-N 0 3 374.372 2.050 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000472631375 561031437 /nfs/dbraw/zinc/03/14/37/561031437.db2.gz MRFJPHRBAOYICI-VKGGURKZSA-N 0 3 353.444 2.058 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000473940404 561061292 /nfs/dbraw/zinc/06/12/92/561061292.db2.gz NLIQXZVMKLEUTH-UHFFFAOYSA-N 0 3 361.489 2.461 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350079 561071855 /nfs/dbraw/zinc/07/18/55/561071855.db2.gz AUHGNOWEISPFSO-MAUKXSAKSA-N 0 3 366.414 2.440 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000476649589 561125209 /nfs/dbraw/zinc/12/52/09/561125209.db2.gz UPETZLWWNWDBBG-UHFFFAOYSA-N 0 3 373.413 2.445 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530990535 562430996 /nfs/dbraw/zinc/43/09/96/562430996.db2.gz SJCCBNLWJDHLIG-ZBFHGGJFSA-N 0 3 362.430 2.242 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](N2CCCC2)C1 ZINC000532875136 562491461 /nfs/dbraw/zinc/49/14/61/562491461.db2.gz CEKDYCWCZSCJFG-CQSZACIVSA-N 0 3 370.409 2.219 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000534827496 562543249 /nfs/dbraw/zinc/54/32/49/562543249.db2.gz LECVICBTNOKICC-HOTGVXAUSA-N 0 3 364.471 2.287 20 5 FEBDHN Cn1ccnc1[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045395 562549348 /nfs/dbraw/zinc/54/93/48/562549348.db2.gz CELQHIIHAOTNRX-ZDUSSCGKSA-N 0 3 371.397 2.116 20 5 FEBDHN CC(C)(C)NS(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000536834922 562581319 /nfs/dbraw/zinc/58/13/19/562581319.db2.gz SQUFVXBQKNCISB-OAHLLOKOSA-N 0 3 369.487 2.223 20 5 FEBDHN C[C@@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162336 562586761 /nfs/dbraw/zinc/58/67/61/562586761.db2.gz VDROBVQRGMRBBA-QRWLVFNGSA-N 0 3 369.421 2.409 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000568558056 568051468 /nfs/dbraw/zinc/05/14/68/568051468.db2.gz MXMOTJQMGBUOOG-NWANDNLSSA-N 0 3 358.398 2.473 20 5 FEBDHN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000569227198 568315881 /nfs/dbraw/zinc/31/58/81/568315881.db2.gz YQUVAZDSKAOULG-GOSISDBHSA-N 0 3 354.410 2.488 20 5 FEBDHN Cc1cc(OCC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395284 568400535 /nfs/dbraw/zinc/40/05/35/568400535.db2.gz OKMDDMRGNYRCCM-JCKWVBRZSA-N 0 3 361.442 2.471 20 5 FEBDHN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000570823300 568542158 /nfs/dbraw/zinc/54/21/58/568542158.db2.gz JWQYQRZOYGISCZ-QGZVFWFLSA-N 0 3 363.458 2.285 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000559129729 674528831 /nfs/dbraw/zinc/52/88/31/674528831.db2.gz CONMLPFGGSXLBX-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569369 608487007 /nfs/dbraw/zinc/48/70/07/608487007.db2.gz HJCFDIXCFQSYFW-ZBEGNZNMSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569369 608487008 /nfs/dbraw/zinc/48/70/08/608487008.db2.gz HJCFDIXCFQSYFW-ZBEGNZNMSA-N 0 3 354.370 2.159 20 5 FEBDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826283498 608553953 /nfs/dbraw/zinc/55/39/53/608553953.db2.gz SJGMMOBDJOMSPU-SJCJKPOMSA-N 0 3 368.397 2.468 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670183 609315310 /nfs/dbraw/zinc/31/53/10/609315310.db2.gz LQCQWRTZPWNXOX-RYUDHWBXSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670183 609315311 /nfs/dbraw/zinc/31/53/11/609315311.db2.gz LQCQWRTZPWNXOX-RYUDHWBXSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670183 609315312 /nfs/dbraw/zinc/31/53/12/609315312.db2.gz LQCQWRTZPWNXOX-RYUDHWBXSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670183 609315313 /nfs/dbraw/zinc/31/53/13/609315313.db2.gz LQCQWRTZPWNXOX-RYUDHWBXSA-N 0 3 372.433 2.235 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000813108252 674720407 /nfs/dbraw/zinc/72/04/07/674720407.db2.gz WYMPZISQBAYCIY-WCQYABFASA-N 0 3 354.790 2.401 20 5 FEBDHN CC(COC(=O)c1cc(Br)cnc1OCC1CC1)[N+](=O)[O-] ZINC000813113464 674720826 /nfs/dbraw/zinc/72/08/26/674720826.db2.gz QKAHSBOSUYHEST-MRVPVSSYSA-N 0 3 359.176 2.455 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000570923905 670788030 /nfs/dbraw/zinc/78/80/30/670788030.db2.gz XYJPRBFNGMIRNS-ZBFHGGJFSA-N 0 3 367.471 2.262 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020281 675168265 /nfs/dbraw/zinc/16/82/65/675168265.db2.gz KWEUHUSUXAIZOQ-RBSFLKMASA-N 0 3 353.444 2.032 20 5 FEBDHN COc1cc(F)cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000566111679 675182023 /nfs/dbraw/zinc/18/20/23/675182023.db2.gz LDRAVGYHURJPBQ-OAHLLOKOSA-N 0 3 350.346 2.272 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000576818820 671396857 /nfs/dbraw/zinc/39/68/57/671396857.db2.gz BCWCGMMCSIUQKT-UHFFFAOYSA-N 0 3 355.460 2.262 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cs1 ZINC000120065864 671915804 /nfs/dbraw/zinc/91/58/04/671915804.db2.gz RAHIECVLMXVRBV-BXUZGUMPSA-N 0 3 371.484 2.294 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250245 675961075 /nfs/dbraw/zinc/96/10/75/675961075.db2.gz HTHFVVODIDUDEB-OAHLLOKOSA-N 0 3 350.438 2.334 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132369800 672097247 /nfs/dbraw/zinc/09/72/47/672097247.db2.gz ZFKFEPSOLITMRV-LBPRGKRZSA-N 0 3 350.375 2.334 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000133493614 672111489 /nfs/dbraw/zinc/11/14/89/672111489.db2.gz GGSJYJKNSJZAPM-GFCCVEGCSA-N 0 3 359.423 2.053 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCCn2cccn2)c1 ZINC000584831521 672220470 /nfs/dbraw/zinc/22/04/70/672220470.db2.gz JJPXNBQOBUULMI-UHFFFAOYSA-N 0 3 372.166 2.186 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCC2(CO)CC2)c1 ZINC000589315346 672521536 /nfs/dbraw/zinc/52/15/36/672521536.db2.gz LBWHSWLIGTWKHF-UHFFFAOYSA-N 0 3 362.167 2.062 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[C@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939063 672549270 /nfs/dbraw/zinc/54/92/70/672549270.db2.gz NPVKHZYLZVEJLZ-QMTHXVAHSA-N 0 3 362.304 2.302 20 5 FEBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596463846 673387468 /nfs/dbraw/zinc/38/74/68/673387468.db2.gz TZGMKJDNVDPNFD-UHFFFAOYSA-N 0 3 362.352 2.070 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348631 673535427 /nfs/dbraw/zinc/53/54/27/673535427.db2.gz RNOYGKSJMYGBES-UONOGXRCSA-N 0 3 350.419 2.066 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1 ZINC000598574755 673585340 /nfs/dbraw/zinc/58/53/40/673585340.db2.gz SXPPDCGVRCUSOD-ZDUSSCGKSA-N 0 3 356.220 2.427 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610438 673590054 /nfs/dbraw/zinc/59/00/54/673590054.db2.gz BVQSOPWFICELMZ-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1nc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598824840 673614799 /nfs/dbraw/zinc/61/47/99/673614799.db2.gz ZLCHTODUDNSDSC-ZJUUUORDSA-N 0 3 363.292 2.221 20 5 FEBDHN CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000601437883 673862503 /nfs/dbraw/zinc/86/25/03/673862503.db2.gz WOKRHNYNWQMYOZ-KBPBESRZSA-N 0 3 353.419 2.386 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000823276691 675541427 /nfs/dbraw/zinc/54/14/27/675541427.db2.gz VLNBQDOSSIEZIC-GZMMTYOYSA-N 0 3 356.785 2.136 20 5 FEBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000826686940 675700428 /nfs/dbraw/zinc/70/04/28/675700428.db2.gz YHJXTPBROFNAAV-VIFPVBQESA-N 0 3 361.229 2.458 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827500443 675760827 /nfs/dbraw/zinc/76/08/27/675760827.db2.gz APCVJWFLFNVMQN-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN NCc1cn([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099371 680863327 /nfs/dbraw/zinc/86/33/27/680863327.db2.gz JAIFELFQBKFQSF-AWEZNQCLSA-N 0 3 350.810 2.136 20 5 FEBDHN Cc1cc(Cl)ccc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137173 680217205 /nfs/dbraw/zinc/21/72/05/680217205.db2.gz PUBFBEUTLFPUCV-HZPDHXFCSA-N 0 3 351.834 2.348 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CCO)c1cccs1 ZINC000754391962 680354014 /nfs/dbraw/zinc/35/40/14/680354014.db2.gz YXUZQCNKQHWXQR-OLZOCXBDSA-N 0 3 352.412 2.109 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(Cc3ccccc3Cl)C2)CC1 ZINC001035704788 680451314 /nfs/dbraw/zinc/45/13/14/680451314.db2.gz YIJOUDTXROYTOY-GDBMZVCRSA-N 0 3 363.845 2.430 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1Cl ZINC000836698059 680501702 /nfs/dbraw/zinc/50/17/02/680501702.db2.gz MHSMJCJQJXUUHQ-GFCCVEGCSA-N 0 3 368.865 2.170 20 5 FEBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cccc(F)c2F)CC1 ZINC001045436930 680629919 /nfs/dbraw/zinc/62/99/19/680629919.db2.gz YUMMACLDDTTZBA-TZMCWYRMSA-N 0 3 353.369 2.101 20 5 FEBDHN CCCN1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845882542 681159285 /nfs/dbraw/zinc/15/92/85/681159285.db2.gz VDRXYKSLIMNBTI-OZVIIMIRSA-N 0 3 352.362 2.334 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934337734 681554812 /nfs/dbraw/zinc/55/48/12/681554812.db2.gz USASEVHNFQOTJS-DZGCQCFKSA-N 0 3 363.439 2.356 20 5 FEBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000917838586 685534933 /nfs/dbraw/zinc/53/49/33/685534933.db2.gz MFUYEGXEQFYUJZ-LLVKDONJSA-N 0 3 350.375 2.416 20 5 FEBDHN CN(C)C1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000919112206 685544638 /nfs/dbraw/zinc/54/46/38/685544638.db2.gz WAMXCWUUEQQNEB-UHFFFAOYSA-N 0 3 356.220 2.458 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000930205256 683692661 /nfs/dbraw/zinc/69/26/61/683692661.db2.gz SCFRFSLWYSPYHB-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN CN1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864443386 683853642 /nfs/dbraw/zinc/85/36/42/683853642.db2.gz ZQLUXSFOUKQNAH-UHFFFAOYSA-N 0 3 356.220 2.064 20 5 FEBDHN COCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000870455109 684722576 /nfs/dbraw/zinc/72/25/76/684722576.db2.gz UPYUJYFEXOHNCO-XHDPSFHLSA-N 0 3 351.334 2.232 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874829716 685677549 /nfs/dbraw/zinc/67/75/49/685677549.db2.gz NANJODXHBXUFSF-UONOGXRCSA-N 0 3 350.394 2.109 20 5 FEBDHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134441 687003865 /nfs/dbraw/zinc/00/38/65/687003865.db2.gz MVJXRFHZWZTOOH-HUUCEWRRSA-N 0 3 352.822 2.355 20 5 FEBDHN CO[C@@]1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364071 690886153 /nfs/dbraw/zinc/88/61/53/690886153.db2.gz UAWKYAVMIBNVDN-DLBZAZTESA-N 0 3 368.455 2.156 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000057700855 540809306 /nfs/dbraw/zinc/80/93/06/540809306.db2.gz ATUWVUQUDIODTN-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1C ZINC000060499700 541114896 /nfs/dbraw/zinc/11/48/96/541114896.db2.gz IONAIXNVOLQFAW-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000061198851 541127801 /nfs/dbraw/zinc/12/78/01/541127801.db2.gz LPHXCWUBYDLIMB-UHFFFAOYSA-N 0 3 363.462 2.214 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000067105544 541418464 /nfs/dbraw/zinc/41/84/64/541418464.db2.gz BYTWUDBXNWLUIT-UHFFFAOYSA-N 0 3 371.393 2.358 20 5 FEBDHN CC(C)(C)N1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469714 541687829 /nfs/dbraw/zinc/68/78/29/541687829.db2.gz FLRUWKHJKWCEAB-UHFFFAOYSA-N 0 3 364.446 2.489 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000070830298 541745888 /nfs/dbraw/zinc/74/58/88/541745888.db2.gz IEHNRYMJAOWTKI-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(NCCN1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077850534 542427529 /nfs/dbraw/zinc/42/75/29/542427529.db2.gz CJDMFELYSXPELK-UHFFFAOYSA-N 0 3 368.821 2.179 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078644244 542473375 /nfs/dbraw/zinc/47/33/75/542473375.db2.gz AOTNQDYHEUYXMN-LBPRGKRZSA-N 0 3 356.810 2.481 20 5 FEBDHN Cn1cc(CN2CCC[C@H](CCC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092659949 542878065 /nfs/dbraw/zinc/87/80/65/542878065.db2.gz BETHIJABBHMUTH-CQSZACIVSA-N 0 3 371.441 2.473 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C2CCCC2)cc1C ZINC000104755329 543142491 /nfs/dbraw/zinc/14/24/91/543142491.db2.gz OIGNXLYIOHAMTH-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000106479597 543231948 /nfs/dbraw/zinc/23/19/48/543231948.db2.gz JQZXZPVFCWFLKZ-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000121412920 543694244 /nfs/dbraw/zinc/69/42/44/543694244.db2.gz YMTLBSJCPHCDRR-UHFFFAOYSA-N 0 3 363.462 2.442 20 5 FEBDHN O=C1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000125332185 543875947 /nfs/dbraw/zinc/87/59/47/543875947.db2.gz RDTHLMPPGDIVHE-GDBMZVCRSA-N 0 3 359.426 2.449 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000125996347 543912881 /nfs/dbraw/zinc/91/28/81/543912881.db2.gz TZEJDXJYMDECSP-HIFRSBDPSA-N 0 3 357.414 2.111 20 5 FEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000126501420 543939816 /nfs/dbraw/zinc/93/98/16/543939816.db2.gz YZHVCWUMLZHRQA-UHFFFAOYSA-N 0 3 355.398 2.064 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000132381127 544229380 /nfs/dbraw/zinc/22/93/80/544229380.db2.gz WMGJEBHXIZQMNZ-LBPRGKRZSA-N 0 3 359.423 2.147 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134934382 544328344 /nfs/dbraw/zinc/32/83/44/544328344.db2.gz OGISUJRCIUNJCZ-WMLDXEAASA-N 0 3 371.441 2.269 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150799751 544473775 /nfs/dbraw/zinc/47/37/75/544473775.db2.gz LVFCUEFNMJZIGM-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152299709 544636979 /nfs/dbraw/zinc/63/69/79/544636979.db2.gz HEQMZISOVCGCAP-GFCCVEGCSA-N 0 3 369.219 2.047 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152889104 544707083 /nfs/dbraw/zinc/70/70/83/544707083.db2.gz FVTOGSXVWDDAIH-ZBFHGGJFSA-N 0 3 367.471 2.316 20 5 FEBDHN CCN1CCN(c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c(C)c2)CC1 ZINC000179501301 327646815 /nfs/dbraw/zinc/64/68/15/327646815.db2.gz BBFRWRSUDDZQOX-UHFFFAOYSA-N 0 3 372.429 2.031 20 5 FEBDHN COc1ccc(NC(=O)CCN[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182902758 327792853 /nfs/dbraw/zinc/79/28/53/327792853.db2.gz NZZKXGMVRKMHGL-MRXNPFEDSA-N 0 3 359.382 2.255 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccccc1 ZINC000183626142 327827340 /nfs/dbraw/zinc/82/73/40/327827340.db2.gz DZQPSNQMQYZPEC-MRXNPFEDSA-N 0 3 359.382 2.255 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186656654 327973459 /nfs/dbraw/zinc/97/34/59/327973459.db2.gz LBXFTPSDBYBMMJ-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188259093 328076355 /nfs/dbraw/zinc/07/63/55/328076355.db2.gz MLNDQVJZNBOADO-UHFFFAOYSA-N 0 3 355.460 2.232 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000188259316 328076473 /nfs/dbraw/zinc/07/64/73/328076473.db2.gz JGPULLWINDGSAI-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189143643 328130941 /nfs/dbraw/zinc/13/09/41/328130941.db2.gz LMMXWGGMJCWEMY-ZIAGYGMSSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000191413955 328264694 /nfs/dbraw/zinc/26/46/94/328264694.db2.gz UKGXNPNYGAXQOB-HNNXBMFYSA-N 0 3 363.462 2.359 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000191498473 328268517 /nfs/dbraw/zinc/26/85/17/328268517.db2.gz KCMDIFIFAKGPRL-HNNXBMFYSA-N 0 3 357.414 2.378 20 5 FEBDHN Cc1c(C(=O)NC2CCN(C(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000192514532 328323320 /nfs/dbraw/zinc/32/33/20/328323320.db2.gz DUHSTKXVRJJWDP-UHFFFAOYSA-N 0 3 372.429 2.087 20 5 FEBDHN COc1cccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000192687547 328333297 /nfs/dbraw/zinc/33/32/97/328333297.db2.gz DLWHEUQQFPTGET-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192900556 328346008 /nfs/dbraw/zinc/34/60/08/328346008.db2.gz UXXDWUHKQYZITM-WFASDCNBSA-N 0 3 357.414 2.131 20 5 FEBDHN COC(=O)[C@H]1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000193499363 328378938 /nfs/dbraw/zinc/37/89/38/328378938.db2.gz OXGCMJUCRDSJOI-DZGCQCFKSA-N 0 3 358.398 2.427 20 5 FEBDHN COc1cccc2c1CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000193712501 328391033 /nfs/dbraw/zinc/39/10/33/328391033.db2.gz QGGNAYVPSHJPSX-MRXNPFEDSA-N 0 3 372.421 2.444 20 5 FEBDHN COc1cccc2c1CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000193712488 328391154 /nfs/dbraw/zinc/39/11/54/328391154.db2.gz QGGNAYVPSHJPSX-INIZCTEOSA-N 0 3 372.421 2.444 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000065792170 324880246 /nfs/dbraw/zinc/88/02/46/324880246.db2.gz DOMOGTALYZJQLU-UHFFFAOYSA-N 0 3 367.471 2.406 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079278606 325084351 /nfs/dbraw/zinc/08/43/51/325084351.db2.gz FMNINEUMAAHGCG-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN COc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456485 325255412 /nfs/dbraw/zinc/25/54/12/325255412.db2.gz VHTDLWDZRJHRKB-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1ccccc1C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522319 325362222 /nfs/dbraw/zinc/36/22/22/325362222.db2.gz OEFUMFDRWPZANK-INIZCTEOSA-N 0 3 357.410 2.472 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cccc3[nH]ccc32)c1 ZINC000237994475 328536956 /nfs/dbraw/zinc/53/69/56/328536956.db2.gz IMKQREFVWQJDME-UHFFFAOYSA-N 0 3 374.422 2.144 20 5 FEBDHN COCCOC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116886371 326039984 /nfs/dbraw/zinc/03/99/84/326039984.db2.gz CGTKREIAFJZQLU-UHFFFAOYSA-N 0 3 351.403 2.051 20 5 FEBDHN CCC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000121648036 326355075 /nfs/dbraw/zinc/35/50/75/326355075.db2.gz FLEBFNPVVQIXFK-MRXNPFEDSA-N 0 3 351.447 2.406 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000122426588 326396449 /nfs/dbraw/zinc/39/64/49/326396449.db2.gz WEWOTGNAPFUIQQ-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN O=C(CCN1CCC(C2OCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128462937 326524217 /nfs/dbraw/zinc/52/42/17/326524217.db2.gz OOBSDOZXUGZWIT-UHFFFAOYSA-N 0 3 367.377 2.147 20 5 FEBDHN Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(OCCN(C)C)c1 ZINC000151343970 326680181 /nfs/dbraw/zinc/68/01/81/326680181.db2.gz ZCFSITUUJOKXOQ-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151627940 326687175 /nfs/dbraw/zinc/68/71/75/326687175.db2.gz HXGZYDXSPYCEGU-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000152488644 326708780 /nfs/dbraw/zinc/70/87/80/326708780.db2.gz XHDRAWNNWLZMRY-CQSZACIVSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN(CC)CCSc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000153250570 326728132 /nfs/dbraw/zinc/72/81/32/326728132.db2.gz GDBXMTGVHSTCNQ-UHFFFAOYSA-N 0 3 361.489 2.279 20 5 FEBDHN COCCCN1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000171123010 327119689 /nfs/dbraw/zinc/11/96/89/327119689.db2.gz NLFMNGIUENLKKZ-UHFFFAOYSA-N 0 3 360.414 2.307 20 5 FEBDHN COCCCN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000171126617 327119755 /nfs/dbraw/zinc/11/97/55/327119755.db2.gz UWKUWINYZDBCHA-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000172019602 327176573 /nfs/dbraw/zinc/17/65/73/327176573.db2.gz OFRZKMHUAJANLM-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1C ZINC000173242043 327243583 /nfs/dbraw/zinc/24/35/83/327243583.db2.gz SZJZWHPYXWRDBP-UONOGXRCSA-N 0 3 355.460 2.172 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000173264314 327245140 /nfs/dbraw/zinc/24/51/40/327245140.db2.gz JCGJSLVKYNZFPP-YPMHNXCESA-N 0 3 359.423 2.085 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)N2C(C)C ZINC000173284880 327246743 /nfs/dbraw/zinc/24/67/43/327246743.db2.gz YNCXELQACSXUQI-GOEBONIOSA-N 0 3 374.441 2.315 20 5 FEBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173515178 327263184 /nfs/dbraw/zinc/26/31/84/327263184.db2.gz OHRCDLQSCAGTIT-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000173518300 327263345 /nfs/dbraw/zinc/26/33/45/327263345.db2.gz MEIBTFZFTLIQNN-MRXNPFEDSA-N 0 3 371.441 2.304 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173830056 327287387 /nfs/dbraw/zinc/28/73/87/327287387.db2.gz DPKORCGBQZHCGC-DGCLKSJQSA-N 0 3 373.862 2.496 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCCN1CCN(C)CC1 ZINC000174724792 327345938 /nfs/dbraw/zinc/34/59/38/327345938.db2.gz CMDJLRAEGLNUEG-UHFFFAOYSA-N 0 3 364.490 2.451 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881789 327357478 /nfs/dbraw/zinc/35/74/78/327357478.db2.gz NEDQCMOEKVLFFG-GOSISDBHSA-N 0 3 362.474 2.076 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264597061 329039075 /nfs/dbraw/zinc/03/90/75/329039075.db2.gz MSSWNAUWQJGBPV-GOSISDBHSA-N 0 3 369.425 2.481 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265507121 329134225 /nfs/dbraw/zinc/13/42/25/329134225.db2.gz JOKRNGJLRYDRJF-UHFFFAOYSA-N 0 3 356.810 2.330 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960577 329176851 /nfs/dbraw/zinc/17/68/51/329176851.db2.gz QBXKDJZIQWHGCK-OLZOCXBDSA-N 0 3 365.430 2.462 20 5 FEBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000273490026 329869075 /nfs/dbraw/zinc/86/90/75/329869075.db2.gz WOCQNTZHLNXKJC-BZUAXINKSA-N 0 3 368.455 2.162 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000276596595 330168412 /nfs/dbraw/zinc/16/84/12/330168412.db2.gz NSHMPOLZSHPWKV-LBPRGKRZSA-N 0 3 368.865 2.170 20 5 FEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn(CCN2CCCCC2)c1 ZINC000369323093 330239244 /nfs/dbraw/zinc/23/92/44/330239244.db2.gz IMTGLCMRSBWUQO-UHFFFAOYSA-N 0 3 357.414 2.207 20 5 FEBDHN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000478568659 561169868 /nfs/dbraw/zinc/16/98/68/561169868.db2.gz XKOBTQQEWQWGMW-KBPBESRZSA-N 0 3 372.429 2.168 20 5 FEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160212422 546017602 /nfs/dbraw/zinc/01/76/02/546017602.db2.gz VDWGDFAACFXZON-OAHLLOKOSA-N 0 3 369.487 2.321 20 5 FEBDHN COCCN(C)CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175859927 546362995 /nfs/dbraw/zinc/36/29/95/546362995.db2.gz PJGLATFFRCRKPV-CQSZACIVSA-N 0 3 352.435 2.232 20 5 FEBDHN C[C@@H](CCc1ccco1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000235 546720576 /nfs/dbraw/zinc/72/05/76/546720576.db2.gz JHBKQWSNNRFHFT-ZDUSSCGKSA-N 0 3 367.427 2.077 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178949530 546878897 /nfs/dbraw/zinc/87/88/97/546878897.db2.gz LOJWINGPBRCECD-UHFFFAOYSA-N 0 3 369.487 2.179 20 5 FEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000481829954 561243409 /nfs/dbraw/zinc/24/34/09/561243409.db2.gz MZBLZMMYPFELSH-FUHWJXTLSA-N 0 3 357.385 2.490 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(CN(C)C)cc1 ZINC000180053958 547044673 /nfs/dbraw/zinc/04/46/73/547044673.db2.gz HIYFLBPKLWKOBO-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN Cc1ccc(CN(CCO)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000181967151 547414762 /nfs/dbraw/zinc/41/47/62/547414762.db2.gz NWWDJFFGQSSILJ-SFHVURJKSA-N 0 3 360.410 2.137 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000183287879 547632805 /nfs/dbraw/zinc/63/28/05/547632805.db2.gz XDLSCHLLBPZGFZ-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184318888 547807083 /nfs/dbraw/zinc/80/70/83/547807083.db2.gz ATYMXIOGVZBYSW-IYOXOMEYSA-N 0 3 360.458 2.140 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000184379341 547817168 /nfs/dbraw/zinc/81/71/68/547817168.db2.gz AXJBXNZXFRZGRH-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000185227754 547955110 /nfs/dbraw/zinc/95/51/10/547955110.db2.gz PDWYXOYUEFJHDI-DOMZBBRYSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185328110 547970708 /nfs/dbraw/zinc/97/07/08/547970708.db2.gz OHDCABWEBJIMIR-KRWDZBQOSA-N 0 3 371.441 2.127 20 5 FEBDHN COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000186777055 548190015 /nfs/dbraw/zinc/19/00/15/548190015.db2.gz YTKTXTUEWBAOSX-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186941332 548225481 /nfs/dbraw/zinc/22/54/81/548225481.db2.gz XKRYEBJHXWHRMX-CYBMUJFWSA-N 0 3 364.446 2.347 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CCC2(CC2)CC1 ZINC000486692655 561354512 /nfs/dbraw/zinc/35/45/12/561354512.db2.gz GPKUUGMGAXLFRC-UHFFFAOYSA-N 0 3 353.444 2.186 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876075 561358793 /nfs/dbraw/zinc/35/87/93/561358793.db2.gz BLKBPLFXSIHDLR-GWCFXTLKSA-N 0 3 364.402 2.294 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876078 561358835 /nfs/dbraw/zinc/35/88/35/561358835.db2.gz BLKBPLFXSIHDLR-ZWNOBZJWSA-N 0 3 364.402 2.294 20 5 FEBDHN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000487088228 561363357 /nfs/dbraw/zinc/36/33/57/561363357.db2.gz QNEQEBYNFFRYBY-OCCSQVGLSA-N 0 3 353.854 2.105 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488724850 561395444 /nfs/dbraw/zinc/39/54/44/561395444.db2.gz ZQCOVAQKPRRWNH-GZBFAFLISA-N 0 3 362.430 2.333 20 5 FEBDHN C[C@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000246960769 549252314 /nfs/dbraw/zinc/25/23/14/549252314.db2.gz BQKKXQNWMJQSKH-GJZGRUSLSA-N 0 3 374.441 2.179 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000248473709 549447549 /nfs/dbraw/zinc/44/75/49/549447549.db2.gz LCWXHGXICRXFQJ-IUODEOHRSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248897194 549524389 /nfs/dbraw/zinc/52/43/89/549524389.db2.gz ZZBHHDQGZGKUCE-CHWSQXEVSA-N 0 3 362.430 2.078 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249130896 549558009 /nfs/dbraw/zinc/55/80/09/549558009.db2.gz UUWLIFXJTDZYNH-ZFWWWQNUSA-N 0 3 363.414 2.363 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000252205912 549663160 /nfs/dbraw/zinc/66/31/60/549663160.db2.gz VCKSCLDFEYQHHL-QWHCGFSZSA-N 0 3 363.414 2.232 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000490242170 561429514 /nfs/dbraw/zinc/42/95/14/561429514.db2.gz GWCZJAFHPKGNED-MRXNPFEDSA-N 0 3 352.822 2.485 20 5 FEBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262240178 549801649 /nfs/dbraw/zinc/80/16/49/549801649.db2.gz PALKOTCXPKHVNG-UHFFFAOYSA-N 0 3 361.789 2.305 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707305 561457820 /nfs/dbraw/zinc/45/78/20/561457820.db2.gz NERQXIOQJPQNTI-RDJZCZTQSA-N 0 3 351.403 2.073 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000271697247 550395917 /nfs/dbraw/zinc/39/59/17/550395917.db2.gz KERYOIXFIZLPCS-ZDUSSCGKSA-N 0 3 362.430 2.141 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272571126 550458629 /nfs/dbraw/zinc/45/86/29/550458629.db2.gz LGOUUQODUJRDGR-ABAIWWIYSA-N 0 3 352.822 2.484 20 5 FEBDHN CN1CC=C(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272591214 550459658 /nfs/dbraw/zinc/45/96/58/550459658.db2.gz WKKNJUSFNTYMQG-UHFFFAOYSA-N 0 3 352.822 2.352 20 5 FEBDHN COc1cc(C(=O)NC[C@]2(N(C)C)CCSC2)cc([N+](=O)[O-])c1C ZINC000276881246 550606640 /nfs/dbraw/zinc/60/66/40/550606640.db2.gz LALKCFJCQUQCQN-MRXNPFEDSA-N 0 3 353.444 2.079 20 5 FEBDHN CC(C)[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068655 550628157 /nfs/dbraw/zinc/62/81/57/550628157.db2.gz DRRCMGKHVPJQFA-IUODEOHRSA-N 0 3 358.485 2.488 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277581325 550687219 /nfs/dbraw/zinc/68/72/19/550687219.db2.gz UCNFJJTUPVGLTC-CYBMUJFWSA-N 0 3 366.418 2.226 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc([N+](=O)[O-])c1OC ZINC000277630183 550694291 /nfs/dbraw/zinc/69/42/91/550694291.db2.gz XCOAFOSQGIGHNV-AWEZNQCLSA-N 0 3 363.414 2.359 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000278549484 550797962 /nfs/dbraw/zinc/79/79/62/550797962.db2.gz OMFKZAPFMNYHFL-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278738815 550816572 /nfs/dbraw/zinc/81/65/72/550816572.db2.gz REDJVKMDNJCQGI-LBPRGKRZSA-N 0 3 374.445 2.343 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000279114175 550855609 /nfs/dbraw/zinc/85/56/09/550855609.db2.gz CIRYARJUFASZBJ-UHFFFAOYSA-N 0 3 350.394 2.157 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281156226 551069061 /nfs/dbraw/zinc/06/90/61/551069061.db2.gz LAAFJTAUAIFJTM-BETUJISGSA-N 0 3 366.418 2.078 20 5 FEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000281324441 551084897 /nfs/dbraw/zinc/08/48/97/551084897.db2.gz VIXVMDPMLDGEBW-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282752707 551266663 /nfs/dbraw/zinc/26/66/63/551266663.db2.gz BIAMYBLECZVHPO-GFCCVEGCSA-N 0 3 351.794 2.312 20 5 FEBDHN C[C@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000284994543 551685742 /nfs/dbraw/zinc/68/57/42/551685742.db2.gz YLJNSZCATOBORE-WBHUJUFNSA-N 0 3 357.414 2.341 20 5 FEBDHN C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285192553 551718719 /nfs/dbraw/zinc/71/87/19/551718719.db2.gz NTAWYLZKNGPAQF-LLVKDONJSA-N 0 3 364.427 2.399 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066357 551959177 /nfs/dbraw/zinc/95/91/77/551959177.db2.gz JXPXVTRBGIMJKY-SWLSCSKDSA-N 0 3 364.421 2.499 20 5 FEBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500004170 561563874 /nfs/dbraw/zinc/56/38/74/561563874.db2.gz KIPWJYLTJBSQTA-WBVHZDCISA-N 0 3 371.441 2.475 20 5 FEBDHN COc1ccc(CN2CCC(CN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000289548661 552338621 /nfs/dbraw/zinc/33/86/21/552338621.db2.gz XKIPPRVVRFWMNN-UHFFFAOYSA-N 0 3 362.474 2.063 20 5 FEBDHN CCC(=O)N[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500479192 561574543 /nfs/dbraw/zinc/57/45/43/561574543.db2.gz NOCWDJLCKQKUKS-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN COc1cc(C(=O)Nc2ccc3c(c2)CNCCO3)c([N+](=O)[O-])cc1OC ZINC000290992162 552573598 /nfs/dbraw/zinc/57/35/98/552573598.db2.gz ANHBPMPCWXUXAV-UHFFFAOYSA-N 0 3 373.365 2.346 20 5 FEBDHN CC(C)[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCC1 ZINC000293032124 552782267 /nfs/dbraw/zinc/78/22/67/552782267.db2.gz LJFNKHYKHSNFGQ-GOSISDBHSA-N 0 3 361.442 2.261 20 5 FEBDHN CC(C)[C@]1(CO)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162437 552794641 /nfs/dbraw/zinc/79/46/41/552794641.db2.gz UYEWGBAHZIGBHM-FUHWJXTLSA-N 0 3 352.431 2.065 20 5 FEBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN(C2CCC2)C1 ZINC000293790576 552856790 /nfs/dbraw/zinc/85/67/90/552856790.db2.gz WTVJZLURTMFPIS-ZDUSSCGKSA-N 0 3 365.405 2.446 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293948825 552870125 /nfs/dbraw/zinc/87/01/25/552870125.db2.gz RTTCIAWZDUUQPL-DLBZAZTESA-N 0 3 361.442 2.194 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000294044269 552877778 /nfs/dbraw/zinc/87/77/78/552877778.db2.gz KYEQIHGJEKRBMM-UHFFFAOYSA-N 0 3 360.418 2.184 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294762283 552932300 /nfs/dbraw/zinc/93/23/00/552932300.db2.gz YGLOCBUFDKFUGQ-GFCCVEGCSA-N 0 3 351.378 2.443 20 5 FEBDHN C[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000295937167 553078427 /nfs/dbraw/zinc/07/84/27/553078427.db2.gz DINWOXBAZZBUOQ-ZDUSSCGKSA-N 0 3 370.409 2.472 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000297513279 553302668 /nfs/dbraw/zinc/30/26/68/553302668.db2.gz UXETXDNQPPVSEH-UHFFFAOYSA-N 0 3 366.809 2.328 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000297830835 553344545 /nfs/dbraw/zinc/34/45/45/553344545.db2.gz JXAATGAHLMGFMK-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000297837475 553345225 /nfs/dbraw/zinc/34/52/25/553345225.db2.gz KHQCBXRTXXAKFB-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)N(C)C ZINC000298104482 553384376 /nfs/dbraw/zinc/38/43/76/553384376.db2.gz LRHDIIYJSQYSDR-MRXNPFEDSA-N 0 3 364.446 2.324 20 5 FEBDHN CN(C)C(=O)C1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000298522547 553435663 /nfs/dbraw/zinc/43/56/63/553435663.db2.gz VWIMAOCLPBWXDO-UHFFFAOYSA-N 0 3 362.430 2.304 20 5 FEBDHN Cc1n[nH]c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299515640 553574164 /nfs/dbraw/zinc/57/41/64/553574164.db2.gz HPEZSRKTXXWCBY-UHFFFAOYSA-N 0 3 357.414 2.063 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1C ZINC000301444605 553652215 /nfs/dbraw/zinc/65/22/15/553652215.db2.gz VEXYYXPCXGUPCG-HIFRSBDPSA-N 0 3 371.441 2.478 20 5 FEBDHN O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc2sccn21 ZINC000301840042 553684424 /nfs/dbraw/zinc/68/44/24/553684424.db2.gz ADNKTMMFELIWFK-ZIAGYGMSSA-N 0 3 373.438 2.351 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301913381 553691316 /nfs/dbraw/zinc/69/13/16/553691316.db2.gz CMPYCXYSLPFFTM-KRWDZBQOSA-N 0 3 369.425 2.062 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301970342 553695047 /nfs/dbraw/zinc/69/50/47/553695047.db2.gz RHYLMJZLEDZGNK-QGZVFWFLSA-N 0 3 369.425 2.062 20 5 FEBDHN Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437109 553716792 /nfs/dbraw/zinc/71/67/92/553716792.db2.gz MMABKGSWFIOKBT-CABCVRRESA-N 0 3 371.441 2.252 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000319852374 553764287 /nfs/dbraw/zinc/76/42/87/553764287.db2.gz PVNWBVVREQKJBL-LLVKDONJSA-N 0 3 359.835 2.201 20 5 FEBDHN CN(C)CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000505683850 561677344 /nfs/dbraw/zinc/67/73/44/561677344.db2.gz YZMYHBFGPQLFMO-UHFFFAOYSA-N 0 3 358.398 2.074 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000507493208 561730917 /nfs/dbraw/zinc/73/09/17/561730917.db2.gz HBMHOKFQUURJCC-GJZGRUSLSA-N 0 3 367.471 2.432 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572363 554474263 /nfs/dbraw/zinc/47/42/63/554474263.db2.gz DTNWCQWBJCPCIM-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN CC(C)c1nccn1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178783 554908314 /nfs/dbraw/zinc/90/83/14/554908314.db2.gz GYTUSUKZYOYGDH-OAHLLOKOSA-N 0 3 359.430 2.414 20 5 FEBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511491548 561870910 /nfs/dbraw/zinc/87/09/10/561870910.db2.gz GOKFKUQLECLAIK-NKHHLTQSSA-N 0 3 361.442 2.471 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000361491484 554921980 /nfs/dbraw/zinc/92/19/80/554921980.db2.gz VIDLZFORMYNILK-NVXWUHKLSA-N 0 3 371.441 2.160 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362396980 554969241 /nfs/dbraw/zinc/96/92/41/554969241.db2.gz QEYTZZJMICZCNU-ZIAGYGMSSA-N 0 3 365.455 2.300 20 5 FEBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1CN1CCCC1 ZINC000363174614 555045740 /nfs/dbraw/zinc/04/57/40/555045740.db2.gz CBQQIZJMMBTXOC-QGZVFWFLSA-N 0 3 369.425 2.481 20 5 FEBDHN CC(=O)c1ccc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000363919857 555213883 /nfs/dbraw/zinc/21/38/83/555213883.db2.gz KGJSGXIIAOGVTP-KRWDZBQOSA-N 0 3 360.458 2.402 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000363922572 555214993 /nfs/dbraw/zinc/21/49/93/555214993.db2.gz QURUXDGZIMLEHR-OAHLLOKOSA-N 0 3 363.418 2.108 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000364067518 555243734 /nfs/dbraw/zinc/24/37/34/555243734.db2.gz HDGQAKYKLNKZKE-UHFFFAOYSA-N 0 3 372.425 2.062 20 5 FEBDHN N[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364195278 555267434 /nfs/dbraw/zinc/26/74/34/555267434.db2.gz MBKJHXVUZPPRHY-CABCVRRESA-N 0 3 358.373 2.099 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c1[N+](=O)[O-] ZINC000364221273 555273302 /nfs/dbraw/zinc/27/33/02/555273302.db2.gz NNXDEMBCDGQNDC-OAHLLOKOSA-N 0 3 371.441 2.317 20 5 FEBDHN CC(C)(O)CN1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000364644359 555361066 /nfs/dbraw/zinc/36/10/66/555361066.db2.gz GSONRGWHGRWRCS-UHFFFAOYSA-N 0 3 373.251 2.035 20 5 FEBDHN Nc1nccc([C@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366011341 555727078 /nfs/dbraw/zinc/72/70/78/555727078.db2.gz UAOXXTFOBPTBGM-ZDUSSCGKSA-N 0 3 370.413 2.175 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000366094327 555749366 /nfs/dbraw/zinc/74/93/66/555749366.db2.gz JBXDHXRVJFCWCV-MRXNPFEDSA-N 0 3 351.472 2.487 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN([C@H]3CCSC3)CC2)cc1 ZINC000366094326 555749425 /nfs/dbraw/zinc/74/94/25/555749425.db2.gz JBXDHXRVJFCWCV-INIZCTEOSA-N 0 3 351.472 2.487 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000366609838 555889372 /nfs/dbraw/zinc/88/93/72/555889372.db2.gz QIZRYNOUAMKDAT-GOSISDBHSA-N 0 3 362.474 2.205 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292869 556009721 /nfs/dbraw/zinc/00/97/21/556009721.db2.gz WEZAWJVQAMKJIN-INIZCTEOSA-N 0 3 350.438 2.193 20 5 FEBDHN COCCCN1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367420973 556044083 /nfs/dbraw/zinc/04/40/83/556044083.db2.gz WXKDAYZNXWLIJM-UHFFFAOYSA-N 0 3 351.432 2.148 20 5 FEBDHN COc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954898 556181530 /nfs/dbraw/zinc/18/15/30/556181530.db2.gz FIXZHJUKMSZLIY-IAGOWNOFSA-N 0 3 350.415 2.403 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000368318570 556277015 /nfs/dbraw/zinc/27/70/15/556277015.db2.gz MYHTWLFSBLDQRW-JRJUITNWSA-N 0 3 372.469 2.237 20 5 FEBDHN COc1cc(CN2CCCN(CC(C)(C)O)CC2)c([N+](=O)[O-])cc1F ZINC000368809073 556418940 /nfs/dbraw/zinc/41/89/40/556418940.db2.gz GABJIDAKPHKEAJ-UHFFFAOYSA-N 0 3 355.410 2.021 20 5 FEBDHN CCOc1cccc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000368871301 556434386 /nfs/dbraw/zinc/43/43/86/556434386.db2.gz XQNJJQISAWPGAR-CVEARBPZSA-N 0 3 362.474 2.456 20 5 FEBDHN CO[C@@](C)(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638170 562017902 /nfs/dbraw/zinc/01/79/02/562017902.db2.gz UXUONZORHFDNLR-LPHOPBHVSA-N 0 3 360.410 2.486 20 5 FEBDHN C[C@H](CO)N1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000368967023 556461871 /nfs/dbraw/zinc/46/18/71/556461871.db2.gz UFONDWKTESNPCT-GFCCVEGCSA-N 0 3 372.263 2.246 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000369155378 556519672 /nfs/dbraw/zinc/51/96/72/556519672.db2.gz KUEIINPOYKRFMO-UHFFFAOYSA-N 0 3 366.487 2.289 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370421095 556867838 /nfs/dbraw/zinc/86/78/38/556867838.db2.gz CMSPYQXXKUHSJJ-QGZVFWFLSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370505779 556893549 /nfs/dbraw/zinc/89/35/49/556893549.db2.gz YLKFUMHUQRJAPB-MRXNPFEDSA-N 0 3 355.394 2.493 20 5 FEBDHN NC1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 ZINC000517133948 562076973 /nfs/dbraw/zinc/07/69/73/562076973.db2.gz PDHZNAJUKMOQPO-UHFFFAOYSA-N 0 3 372.347 2.144 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000371307044 557139442 /nfs/dbraw/zinc/13/94/42/557139442.db2.gz ADAMUSFZVQJFJM-IBGZPJMESA-N 0 3 369.425 2.446 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000371307044 557139443 /nfs/dbraw/zinc/13/94/43/557139443.db2.gz ADAMUSFZVQJFJM-IBGZPJMESA-N 0 3 369.425 2.446 20 5 FEBDHN CN1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000372842254 557573436 /nfs/dbraw/zinc/57/34/36/557573436.db2.gz VWDNCDNHTGEVRW-MEDUHNTESA-N 0 3 358.427 2.804 20 5 FEBDHN CCCN1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000372927477 557590146 /nfs/dbraw/zinc/59/01/46/557590146.db2.gz LABLWKLHVZLQQU-UHFFFAOYSA-N 0 3 357.414 2.338 20 5 FEBDHN CCc1[nH]nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1[N+](=O)[O-] ZINC000373068687 557620694 /nfs/dbraw/zinc/62/06/94/557620694.db2.gz GNGXEPGFZMUPCP-UHFFFAOYSA-N 0 3 374.401 2.001 20 5 FEBDHN O=C(CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000373088832 557625765 /nfs/dbraw/zinc/62/57/65/557625765.db2.gz RXOBUBVWQLEWOA-UHFFFAOYSA-N 0 3 361.442 2.098 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000373092845 557626642 /nfs/dbraw/zinc/62/66/42/557626642.db2.gz OXLAFLQOQCPWHW-MRXNPFEDSA-N 0 3 360.458 2.144 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373294007 557667309 /nfs/dbraw/zinc/66/73/09/557667309.db2.gz WLGLDVJYDFDDFC-AATRIKPKSA-N 0 3 355.398 2.710 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373359151 557678942 /nfs/dbraw/zinc/67/89/42/557678942.db2.gz NFAOONCARCDRLM-AWEZNQCLSA-N 0 3 366.466 2.114 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520754189 562162819 /nfs/dbraw/zinc/16/28/19/562162819.db2.gz KDSJUEHJHFGSDX-UHFFFAOYSA-N 0 3 364.446 2.283 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4nc[nH]n4)C3)n2)cc1 ZINC000374051266 557814331 /nfs/dbraw/zinc/81/43/31/557814331.db2.gz QOVVXGDITSLGRP-LBPRGKRZSA-N 0 3 355.358 2.143 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4nc[nH]n4)C3)n2)cc1 ZINC000374051264 557814398 /nfs/dbraw/zinc/81/43/98/557814398.db2.gz QOVVXGDITSLGRP-GFCCVEGCSA-N 0 3 355.358 2.143 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098610 557977677 /nfs/dbraw/zinc/97/76/77/557977677.db2.gz CBEYEYYXBMACQZ-WBMJQRKESA-N 0 3 370.409 2.254 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098610 557977679 /nfs/dbraw/zinc/97/76/79/557977679.db2.gz CBEYEYYXBMACQZ-WBMJQRKESA-N 0 3 370.409 2.254 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817766 558084511 /nfs/dbraw/zinc/08/45/11/558084511.db2.gz GFRNADQZBZXJJL-YOEHRIQHSA-N 0 3 369.425 2.479 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000376767066 558219256 /nfs/dbraw/zinc/21/92/56/558219256.db2.gz GPIZIODVMDSIRC-XJKSGUPXSA-N 0 3 365.386 2.160 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000377086614 558262702 /nfs/dbraw/zinc/26/27/02/558262702.db2.gz NNWUONCWYHMIQD-HNNXBMFYSA-N 0 3 371.393 2.229 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000377216544 558290860 /nfs/dbraw/zinc/29/08/60/558290860.db2.gz UZLGWCIFJBFTPA-YJBOKZPZSA-N 0 3 369.425 2.337 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOC(C)(C)C1 ZINC000377387927 558331096 /nfs/dbraw/zinc/33/10/96/558331096.db2.gz CCWFXGFDZIISRJ-UHFFFAOYSA-N 0 3 351.403 2.433 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C[NH3+])cc2F)cc1C ZINC000404518039 558632140 /nfs/dbraw/zinc/63/21/40/558632140.db2.gz GYPAOUVWOPIION-UHFFFAOYSA-N 0 3 367.402 2.288 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524737080 562233550 /nfs/dbraw/zinc/23/35/50/562233550.db2.gz FPKFBPZPJNBACQ-TZMCWYRMSA-N 0 3 357.414 2.208 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC2CCN(C3CC3)CC2)c1F ZINC000411233758 558857267 /nfs/dbraw/zinc/85/72/67/558857267.db2.gz ACAQXLDHJUNWFX-UHFFFAOYSA-N 0 3 351.378 2.028 20 5 FEBDHN O=C(CCNC1(CO)Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000411285493 558868358 /nfs/dbraw/zinc/86/83/58/558868358.db2.gz VBLMAGHJLRNTMT-UHFFFAOYSA-N 0 3 355.394 2.043 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411522347 558910151 /nfs/dbraw/zinc/91/01/51/558910151.db2.gz AIKWTDZHSNTVRB-AWEZNQCLSA-N 0 3 364.446 2.387 20 5 FEBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000411655731 558936980 /nfs/dbraw/zinc/93/69/80/558936980.db2.gz MKVMXJBOHHXSPV-ZFWWWQNUSA-N 0 3 351.403 2.049 20 5 FEBDHN Cc1c(NC(=O)CCN2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411852876 558976246 /nfs/dbraw/zinc/97/62/46/558976246.db2.gz MRQIZOFKXAPVJR-UHFFFAOYSA-N 0 3 357.414 2.414 20 5 FEBDHN COc1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411968782 558997197 /nfs/dbraw/zinc/99/71/97/558997197.db2.gz ORRHTOUUICMEKM-LJQANCHMSA-N 0 3 355.394 2.232 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1F ZINC000412371641 559031587 /nfs/dbraw/zinc/03/15/87/559031587.db2.gz SBHNHKGBJASFJW-GFCCVEGCSA-N 0 3 365.405 2.228 20 5 FEBDHN CC(C)[C@@H]1N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159993 559151218 /nfs/dbraw/zinc/15/12/18/559151218.db2.gz XIDMEYPSFWCPHW-YJBOKZPZSA-N 0 3 364.442 2.472 20 5 FEBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414480057 559167814 /nfs/dbraw/zinc/16/78/14/559167814.db2.gz ANHCQCSWALPADY-OAHLLOKOSA-N 0 3 373.409 2.391 20 5 FEBDHN CNCc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414952773 559196807 /nfs/dbraw/zinc/19/68/07/559196807.db2.gz QXSOETPDDSLACY-CYBMUJFWSA-N 0 3 370.409 2.439 20 5 FEBDHN C[N@H+](CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416501219 559318111 /nfs/dbraw/zinc/31/81/11/559318111.db2.gz KEWSFQZRJREOEX-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN C[N@@H+](CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416501219 559318112 /nfs/dbraw/zinc/31/81/12/559318112.db2.gz KEWSFQZRJREOEX-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000420044912 559470012 /nfs/dbraw/zinc/47/00/12/559470012.db2.gz QGBOSSLHSNAJOA-INIZCTEOSA-N 0 3 351.428 2.242 20 5 FEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420391063 559485040 /nfs/dbraw/zinc/48/50/40/559485040.db2.gz NVNIGDCALSZIIX-UHOFOFEASA-N 0 3 372.400 2.488 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000420461062 559488646 /nfs/dbraw/zinc/48/86/46/559488646.db2.gz LNVWJEHOOFCKBC-HNNXBMFYSA-N 0 3 363.439 2.444 20 5 FEBDHN COc1cccc([C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])N(C)C)c1 ZINC000420581842 559492865 /nfs/dbraw/zinc/49/28/65/559492865.db2.gz ILMWFZXNVYELKX-INIZCTEOSA-N 0 3 358.398 2.417 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000421796424 559553747 /nfs/dbraw/zinc/55/37/47/559553747.db2.gz OITLGLSLYGNTLB-SJLPKXTDSA-N 0 3 374.485 2.310 20 5 FEBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000422552733 559594634 /nfs/dbraw/zinc/59/46/34/559594634.db2.gz RHRYHKHZSVYIQT-UHFFFAOYSA-N 0 3 355.338 2.019 20 5 FEBDHN Cn1ccnc1[C@H](N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483972 559629989 /nfs/dbraw/zinc/62/99/89/559629989.db2.gz QMIYWPISPGLSHC-ZIAGYGMSSA-N 0 3 351.357 2.005 20 5 FEBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000423991040 559649412 /nfs/dbraw/zinc/64/94/12/559649412.db2.gz KYLJHHDBBDVCEJ-AWEZNQCLSA-N 0 3 373.434 2.464 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000425055718 559685447 /nfs/dbraw/zinc/68/54/47/559685447.db2.gz IKSOLMKTMQHGAV-XJKSGUPXSA-N 0 3 370.409 2.074 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425541070 559708687 /nfs/dbraw/zinc/70/86/87/559708687.db2.gz FPHYXIHHHXXYAM-JTQLQIEISA-N 0 3 352.192 2.465 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000427900956 559764954 /nfs/dbraw/zinc/76/49/54/559764954.db2.gz AEDYCAQBTCWXIJ-ZDUSSCGKSA-N 0 3 372.425 2.401 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432323829 559856379 /nfs/dbraw/zinc/85/63/79/559856379.db2.gz SJJVUMHTBIWWRM-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN Cc1cc(OCC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801731 559930362 /nfs/dbraw/zinc/93/03/62/559930362.db2.gz UYQNHMOIYDQBOP-ZWKOTPCHSA-N 0 3 369.421 2.496 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC1 ZINC000438605100 559981315 /nfs/dbraw/zinc/98/13/15/559981315.db2.gz IDDIHRXSCMRTHG-UHFFFAOYSA-N 0 3 367.471 2.236 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000443765908 560092012 /nfs/dbraw/zinc/09/20/12/560092012.db2.gz TZYLUFWWPMNYPF-DZGCQCFKSA-N 0 3 355.460 2.229 20 5 FEBDHN COC(=O)c1cc(C(=O)NCCN2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000444623397 560116885 /nfs/dbraw/zinc/11/68/85/560116885.db2.gz SLSJFFWLYJBRCX-UHFFFAOYSA-N 0 3 363.414 2.233 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000446653116 560149147 /nfs/dbraw/zinc/14/91/47/560149147.db2.gz MSJXNFNOSMMIPR-UHFFFAOYSA-N 0 3 372.381 2.242 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446906944 560153304 /nfs/dbraw/zinc/15/33/04/560153304.db2.gz AOGHVIOCXQBGJF-UHFFFAOYSA-N 0 3 374.445 2.392 20 5 FEBDHN COc1ccc(CNC(=O)CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449102775 560215853 /nfs/dbraw/zinc/21/58/53/560215853.db2.gz LNUOHJUJJKWMSW-CQSZACIVSA-N 0 3 357.410 2.440 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000449279925 560223248 /nfs/dbraw/zinc/22/32/48/560223248.db2.gz UPCZRQGBEVUQAW-HIFRSBDPSA-N 0 3 357.414 2.045 20 5 FEBDHN COC(=O)COc1ccc(CNCC2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000449346909 560226204 /nfs/dbraw/zinc/22/62/04/560226204.db2.gz OVIURNUMCHAEPC-UHFFFAOYSA-N 0 3 352.387 2.195 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CNCCC2(F)F)cc1SC ZINC000449658405 560235885 /nfs/dbraw/zinc/23/58/85/560235885.db2.gz AULLELVFVDZNGE-LBPRGKRZSA-N 0 3 361.370 2.052 20 5 FEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149182 560252236 /nfs/dbraw/zinc/25/22/36/560252236.db2.gz VETJWJJDDHSVTR-YVEFUNNKSA-N 0 3 357.414 2.443 20 5 FEBDHN Cc1nc(NCCCCN2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450260216 560256041 /nfs/dbraw/zinc/25/60/41/560256041.db2.gz BFNRAEYBDMFCSE-UHFFFAOYSA-N 0 3 370.457 2.708 20 5 FEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CCCN1CCCO ZINC000450595832 560267452 /nfs/dbraw/zinc/26/74/52/560267452.db2.gz MOGLOJUIXJJPGD-GFCCVEGCSA-N 0 3 369.393 2.169 20 5 FEBDHN O=C1[C@H](N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419600 560305867 /nfs/dbraw/zinc/30/58/67/560305867.db2.gz LSICWUSEHOBQGH-MLHJIOFPSA-N 0 3 359.426 2.326 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489025 560310103 /nfs/dbraw/zinc/31/01/03/560310103.db2.gz JWNXWJZOOYIBOA-JLZZUVOBSA-N 0 3 361.398 2.089 20 5 FEBDHN CC(C)[C@@H](CO)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451601622 560316843 /nfs/dbraw/zinc/31/68/43/560316843.db2.gz ULJPJDWUKWWMGU-SJORKVTESA-N 0 3 372.487 2.247 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689658 560322065 /nfs/dbraw/zinc/32/20/65/560322065.db2.gz MBISGERQRPIADB-ZBFHGGJFSA-N 0 3 369.425 2.479 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)C1 ZINC000452153205 560353995 /nfs/dbraw/zinc/35/39/95/560353995.db2.gz QUPZVMMORJAGIA-LJQANCHMSA-N 0 3 369.425 2.338 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452358054 560359960 /nfs/dbraw/zinc/35/99/60/560359960.db2.gz FSVCDOYLNSZMRH-WMZOPIPTSA-N 0 3 363.458 2.127 20 5 FEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCC1 ZINC000452728584 560372351 /nfs/dbraw/zinc/37/23/51/560372351.db2.gz IVKJRIYGONAVBC-UHFFFAOYSA-N 0 3 357.414 2.113 20 5 FEBDHN CNc1nc(C(=O)NCCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000454361839 560441567 /nfs/dbraw/zinc/44/15/67/560441567.db2.gz AJNZRVDISZDWNZ-UHFFFAOYSA-N 0 3 357.414 2.283 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457071191 560546972 /nfs/dbraw/zinc/54/69/72/560546972.db2.gz HNYLTVROCNOTKO-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1ccc(CSCC(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457205267 560555708 /nfs/dbraw/zinc/55/57/08/560555708.db2.gz KOTXSZHEDUTWNG-UHFFFAOYSA-N 0 3 355.460 2.293 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000457380168 560564291 /nfs/dbraw/zinc/56/42/91/560564291.db2.gz PQEAPMGUSZWENJ-UHFFFAOYSA-N 0 3 370.409 2.451 20 5 FEBDHN C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000458886738 560654147 /nfs/dbraw/zinc/65/41/47/560654147.db2.gz HVNHIFPXBRUENM-YOEHRIQHSA-N 0 3 364.446 2.408 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984007 560877618 /nfs/dbraw/zinc/87/76/18/560877618.db2.gz RVISQRFZJPNVPE-HUUCEWRRSA-N 0 3 363.462 2.487 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000468471891 560930739 /nfs/dbraw/zinc/93/07/39/560930739.db2.gz WDWQZPQBIZINAZ-OAHLLOKOSA-N 0 3 365.430 2.462 20 5 FEBDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000472644282 561031854 /nfs/dbraw/zinc/03/18/54/561031854.db2.gz UYNDWQYXNONETI-HNNXBMFYSA-N 0 3 368.409 2.155 20 5 FEBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000474936445 561085812 /nfs/dbraw/zinc/08/58/12/561085812.db2.gz WDTWWELPTWUNMV-GFCCVEGCSA-N 0 3 358.485 2.490 20 5 FEBDHN COc1c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301334 561115908 /nfs/dbraw/zinc/11/59/08/561115908.db2.gz COJJLIKSJACJJE-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC[C@@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000532981604 562494615 /nfs/dbraw/zinc/49/46/15/562494615.db2.gz KAGUQFBEGFLZCO-OAHLLOKOSA-N 0 3 374.441 2.319 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254993 568320976 /nfs/dbraw/zinc/32/09/76/568320976.db2.gz GOBPUKDLEWDKRW-OUCADQQQSA-N 0 3 361.398 2.126 20 5 FEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@H]2C1 ZINC000569514446 568404527 /nfs/dbraw/zinc/40/45/27/568404527.db2.gz DCDXLQKWSCOWQS-CJNGLKHVSA-N 0 3 364.421 2.101 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000570758628 568511257 /nfs/dbraw/zinc/51/12/57/568511257.db2.gz SWSFTISUWQONQU-LESCRADOSA-N 0 3 374.441 2.078 20 5 FEBDHN C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419218 599361802 /nfs/dbraw/zinc/36/18/02/599361802.db2.gz FTIRWJUNDKXKIT-MEDUHNTESA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419218 599361805 /nfs/dbraw/zinc/36/18/05/599361805.db2.gz FTIRWJUNDKXKIT-MEDUHNTESA-N 0 3 354.370 2.159 20 5 FEBDHN Cc1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822238649 599450856 /nfs/dbraw/zinc/45/08/56/599450856.db2.gz PJCORUHQEZUCPJ-UHFFFAOYSA-N 0 3 354.370 2.252 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629595 607472251 /nfs/dbraw/zinc/47/22/51/607472251.db2.gz BEHORQWAKYRJBQ-UKRRQHHQSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823629595 607472254 /nfs/dbraw/zinc/47/22/54/607472254.db2.gz BEHORQWAKYRJBQ-UKRRQHHQSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629595 607472255 /nfs/dbraw/zinc/47/22/55/607472255.db2.gz BEHORQWAKYRJBQ-UKRRQHHQSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823629595 607472257 /nfs/dbraw/zinc/47/22/57/607472257.db2.gz BEHORQWAKYRJBQ-UKRRQHHQSA-N 0 3 369.429 2.228 20 5 FEBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000809968518 674522673 /nfs/dbraw/zinc/52/26/73/674522673.db2.gz DDMRAAXQDXHWQY-QGZVFWFLSA-N 0 3 352.410 2.335 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[N+](=O)[O-] ZINC000813101435 674719028 /nfs/dbraw/zinc/71/90/28/674719028.db2.gz AABKQBDLEBEAAR-STQMWFEESA-N 0 3 370.427 2.072 20 5 FEBDHN CC(COC(=O)c1cnn(-c2ccccc2)c1Br)[N+](=O)[O-] ZINC000813105458 674719855 /nfs/dbraw/zinc/71/98/55/674719855.db2.gz MKYGDBPGFXLEFK-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN CC(COC(=O)Cc1csc(NC(=O)c2cccs2)n1)[N+](=O)[O-] ZINC000813106364 674720596 /nfs/dbraw/zinc/72/05/96/674720596.db2.gz BTAQLPCYBPERIJ-MRVPVSSYSA-N 0 3 355.397 2.208 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430996 674744543 /nfs/dbraw/zinc/74/45/43/674744543.db2.gz YXHKXLRBUOMMDD-QWRGUYRKSA-N 0 3 374.224 2.495 20 5 FEBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127972 674848330 /nfs/dbraw/zinc/84/83/30/674848330.db2.gz YLGRELJIGFTDDE-JGVFFNPUSA-N 0 3 355.338 2.018 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047144434 670235192 /nfs/dbraw/zinc/23/51/92/670235192.db2.gz NGSKSFLKVOKSRF-LLVKDONJSA-N 0 3 350.375 2.416 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000578063970 671637716 /nfs/dbraw/zinc/63/77/16/671637716.db2.gz LGLMZLMBGREBQR-HUUCEWRRSA-N 0 3 369.487 2.079 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579102577 671711985 /nfs/dbraw/zinc/71/19/85/671711985.db2.gz JTNZRKVOFHIEJO-INIZCTEOSA-N 0 3 369.487 2.079 20 5 FEBDHN C[C@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000610485238 675975049 /nfs/dbraw/zinc/97/50/49/675975049.db2.gz WWLOZUBHESSSDU-CQSZACIVSA-N 0 3 358.320 2.307 20 5 FEBDHN COCC(C)(C)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591850849 672716339 /nfs/dbraw/zinc/71/63/39/672716339.db2.gz WJHJHRCQMATKTH-UHFFFAOYSA-N 0 3 351.447 2.406 20 5 FEBDHN CCOc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000592247826 672776926 /nfs/dbraw/zinc/77/69/26/672776926.db2.gz UZOLOVOWTJTXEJ-CYBMUJFWSA-N 0 3 351.403 2.072 20 5 FEBDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593541335 672938041 /nfs/dbraw/zinc/93/80/41/672938041.db2.gz LQLDMXWXZSMMEO-ZDUSSCGKSA-N 0 3 370.475 2.169 20 5 FEBDHN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044366 673024885 /nfs/dbraw/zinc/02/48/85/673024885.db2.gz QTCIVGUGVWNPTM-BBRMVZONSA-N 0 3 351.403 2.479 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1(CS(C)(=O)=O)CC1 ZINC000594950156 673180049 /nfs/dbraw/zinc/18/00/49/673180049.db2.gz JLDHKYDYLMXLKC-UHFFFAOYSA-N 0 3 356.444 2.298 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598601993 673588219 /nfs/dbraw/zinc/58/82/19/673588219.db2.gz YOEQFXCMCAMHTC-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598614412 673590663 /nfs/dbraw/zinc/59/06/63/673590663.db2.gz DFXBZOWDVNEGJX-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632057 673699920 /nfs/dbraw/zinc/69/99/20/673699920.db2.gz RSSGSFKZXJUANQ-XESHVACXSA-N 0 3 365.455 2.217 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779236 673817934 /nfs/dbraw/zinc/81/79/34/673817934.db2.gz ZPGIUANJCLKGRM-ZIAGYGMSSA-N 0 3 355.460 2.277 20 5 FEBDHN CC(C)N1CCN(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601135162 673828060 /nfs/dbraw/zinc/82/80/60/673828060.db2.gz AYBUCRZLJIHKHZ-UHFFFAOYSA-N 0 3 351.426 2.124 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601292132 673838887 /nfs/dbraw/zinc/83/88/87/673838887.db2.gz SIRSWAWKNLVJKO-STQMWFEESA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601468652 673867651 /nfs/dbraw/zinc/86/76/51/673867651.db2.gz FRZUDUBSGZZIJC-ZDUSSCGKSA-N 0 3 373.500 2.365 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601468652 673867653 /nfs/dbraw/zinc/86/76/53/673867653.db2.gz FRZUDUBSGZZIJC-ZDUSSCGKSA-N 0 3 373.500 2.365 20 5 FEBDHN CN(C)C(=O)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602527394 673907404 /nfs/dbraw/zinc/90/74/04/673907404.db2.gz LEFUURHDLZWOKL-UHFFFAOYSA-N 0 3 350.238 2.377 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602853439 673912471 /nfs/dbraw/zinc/91/24/71/673912471.db2.gz YKXJRZDHJCFVEM-JSGCOSHPSA-N 0 3 352.435 2.399 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(Cl)nc2)cc1 ZINC000819158989 675265149 /nfs/dbraw/zinc/26/51/49/675265149.db2.gz GDYFWOAJWGLHBO-UHFFFAOYSA-N 0 3 369.830 2.249 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC000840952795 680856581 /nfs/dbraw/zinc/85/65/81/680856581.db2.gz UKBJJZVIAQZKLV-RYUDHWBXSA-N 0 3 361.851 2.318 20 5 FEBDHN O=C(NCC1CCN(Cc2ccc(Cl)s2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001397818 680459901 /nfs/dbraw/zinc/45/99/01/680459901.db2.gz XOLKLIRQIVOPSW-CHWSQXEVSA-N 0 3 357.863 2.395 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H](O)c2ccccc2)cc1 ZINC000843088612 680986838 /nfs/dbraw/zinc/98/68/38/680986838.db2.gz PGCRXOHYQIZCPP-QGZVFWFLSA-N 0 3 364.423 2.082 20 5 FEBDHN CC([C@@H](OC(=O)CCCNC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873138 681158134 /nfs/dbraw/zinc/15/81/34/681158134.db2.gz BJZMIPFASUEWHE-MEDUHNTESA-N 0 3 352.362 2.382 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000845891326 681160062 /nfs/dbraw/zinc/16/00/62/681160062.db2.gz WWLORCDIIQYEAX-UHFFFAOYSA-N 0 3 368.459 2.065 20 5 FEBDHN CN1CCN(C)CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000933990753 681493938 /nfs/dbraw/zinc/49/39/38/681493938.db2.gz RASNJKXUNIUXOS-UHFFFAOYSA-N 0 3 371.279 2.037 20 5 FEBDHN CC([C@@H](OC(=O)c1nnn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000851108909 682017205 /nfs/dbraw/zinc/01/72/05/682017205.db2.gz RTWYCYKLSULYRY-JOYOIKCWSA-N 0 3 351.338 2.131 20 5 FEBDHN Nc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000854496106 682558589 /nfs/dbraw/zinc/55/85/89/682558589.db2.gz DWPYFVPXVGLVFE-UWVGGRQHSA-N 0 3 363.292 2.100 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000855486212 682676067 /nfs/dbraw/zinc/67/60/67/682676067.db2.gz JKZJXMZKYZCJFO-CYBMUJFWSA-N 0 3 350.375 2.368 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000790584778 682686432 /nfs/dbraw/zinc/68/64/32/682686432.db2.gz WLQXRBDQDHPEEE-OAHLLOKOSA-N 0 3 353.394 2.349 20 5 FEBDHN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000797518550 683256210 /nfs/dbraw/zinc/25/62/10/683256210.db2.gz BXIURNYXKKUTIM-UHFFFAOYSA-N 0 3 352.387 2.148 20 5 FEBDHN CC[N@@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224172 683323408 /nfs/dbraw/zinc/32/34/08/683323408.db2.gz HQHRDPQFWYTGIO-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224172 683323415 /nfs/dbraw/zinc/32/34/15/683323415.db2.gz HQHRDPQFWYTGIO-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224702 683324255 /nfs/dbraw/zinc/32/42/55/683324255.db2.gz RBUSIOWTLOKGIC-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224702 683324260 /nfs/dbraw/zinc/32/42/60/683324260.db2.gz RBUSIOWTLOKGIC-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN COCCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000861036258 683335156 /nfs/dbraw/zinc/33/51/56/683335156.db2.gz ZFOIRLJSCRDJJS-JSGCOSHPSA-N 0 3 354.378 2.491 20 5 FEBDHN CN1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000799396044 683451636 /nfs/dbraw/zinc/45/16/36/683451636.db2.gz JVPNNYIGTXCWSD-UHFFFAOYSA-N 0 3 369.853 2.396 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000931296451 684257392 /nfs/dbraw/zinc/25/73/92/684257392.db2.gz HKBYZIUUCOXRGV-CHWSQXEVSA-N 0 3 368.821 2.311 20 5 FEBDHN C[NH+](C)C1(C)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000867744361 684370699 /nfs/dbraw/zinc/37/06/99/684370699.db2.gz SZSSGGXYENAPEW-UHFFFAOYSA-N 0 3 359.423 2.275 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000925763238 684583542 /nfs/dbraw/zinc/58/35/42/684583542.db2.gz RDNDAVUQAMZWTF-CABCVRRESA-N 0 3 370.247 2.214 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(OCCO)CCOC1 ZINC000872085892 684918736 /nfs/dbraw/zinc/91/87/36/684918736.db2.gz RSUYUULCOBNHKB-MLGOLLRUSA-N 0 3 356.444 2.135 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCNCCC23CCC3)c1C ZINC000883478308 687642707 /nfs/dbraw/zinc/64/27/07/687642707.db2.gz BWCRKFXYISLIQK-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000885874848 688175465 /nfs/dbraw/zinc/17/54/65/688175465.db2.gz BIISLPQCCVYOIG-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000893304071 689328702 /nfs/dbraw/zinc/32/87/02/689328702.db2.gz KBCNSJMMSCVRPL-HIFRSBDPSA-N 0 3 374.846 2.074 20 5 FEBDHN CN(CCOc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025699109 539766749 /nfs/dbraw/zinc/76/67/49/539766749.db2.gz ZWKXCMLBURGHBQ-MRXNPFEDSA-N 0 3 364.373 2.484 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000027932754 539820555 /nfs/dbraw/zinc/82/05/55/539820555.db2.gz JTWUFVZIQLRJHH-UHFFFAOYSA-N 0 3 356.426 2.370 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1CN(C)C ZINC000027960479 539821683 /nfs/dbraw/zinc/82/16/83/539821683.db2.gz OPXOYQGCKGBPKJ-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031264301 539903154 /nfs/dbraw/zinc/90/31/54/539903154.db2.gz OCBWVHVCKZMWDF-UHFFFAOYSA-N 0 3 355.398 2.137 20 5 FEBDHN CCOc1cc(C(=O)NC[C@@H](C)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000042505386 540064387 /nfs/dbraw/zinc/06/43/87/540064387.db2.gz XPBNSVWIBJFVBC-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN CC(C)COC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000054326206 540583619 /nfs/dbraw/zinc/58/36/19/540583619.db2.gz DAVKKABOTVDKLH-INIZCTEOSA-N 0 3 352.431 2.472 20 5 FEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000055429221 540652908 /nfs/dbraw/zinc/65/29/08/540652908.db2.gz SVRLAUCVGNKYBP-UHFFFAOYSA-N 0 3 355.398 2.141 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)NC2CC2)CC1 ZINC000055913477 540686653 /nfs/dbraw/zinc/68/66/53/540686653.db2.gz DIEVROKKQPTNSG-UHFFFAOYSA-N 0 3 374.441 2.222 20 5 FEBDHN COc1ccc(CSCC(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057710088 540810522 /nfs/dbraw/zinc/81/05/22/540810522.db2.gz BOLDSLPJMWROIZ-GFCCVEGCSA-N 0 3 367.471 2.436 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000058561394 540849128 /nfs/dbraw/zinc/84/91/28/540849128.db2.gz UTTAEPUVSQCSBO-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CCOc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247372990 549326194 /nfs/dbraw/zinc/32/61/94/549326194.db2.gz KYOOBARLLNHGKB-TZMCWYRMSA-N 0 3 365.430 2.414 20 5 FEBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccncc2)CC1 ZINC000065836569 541265524 /nfs/dbraw/zinc/26/55/24/541265524.db2.gz UDZCUTDQHGXPDA-UHFFFAOYSA-N 0 3 365.393 2.293 20 5 FEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066725625 541366470 /nfs/dbraw/zinc/36/64/70/541366470.db2.gz GEYWEOJAFNCOOS-UHFFFAOYSA-N 0 3 359.430 2.292 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000067398281 541457154 /nfs/dbraw/zinc/45/71/54/541457154.db2.gz RTLDUQBARJXQEQ-JSGCOSHPSA-N 0 3 362.430 2.078 20 5 FEBDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067419499 541462077 /nfs/dbraw/zinc/46/20/77/541462077.db2.gz NHKLDBPFNANKJE-HNNXBMFYSA-N 0 3 362.430 2.080 20 5 FEBDHN C[C@H](NC(=O)NC[C@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628391 541492390 /nfs/dbraw/zinc/49/23/90/541492390.db2.gz QVXHNOCNMVKCBI-YOEHRIQHSA-N 0 3 364.446 2.048 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825797236 675669494 /nfs/dbraw/zinc/66/94/94/675669494.db2.gz SJNBQYHJDTTZKI-JTQLQIEISA-N 0 3 371.235 2.357 20 5 FEBDHN COc1cc(OCC(=O)NCc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000070782609 541743258 /nfs/dbraw/zinc/74/32/58/541743258.db2.gz XIFBWBHZGILCMD-UHFFFAOYSA-N 0 3 373.409 2.360 20 5 FEBDHN CC[C@@H](CO)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000072798238 541866969 /nfs/dbraw/zinc/86/69/69/541866969.db2.gz DHQQXIVUJBIAKI-INIZCTEOSA-N 0 3 374.441 2.181 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000055281497 221064380 /nfs/dbraw/zinc/06/43/80/221064380.db2.gz FWAITHSDVGNQKR-ZDUSSCGKSA-N 0 3 355.460 2.304 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065936640 221237889 /nfs/dbraw/zinc/23/78/89/221237889.db2.gz CFNNNAXEJNAJNI-UHFFFAOYSA-N 0 3 365.821 2.035 20 5 FEBDHN Cc1cccc(NC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000090554385 542785907 /nfs/dbraw/zinc/78/59/07/542785907.db2.gz QFWRKIAKTHKVGX-UHFFFAOYSA-N 0 3 357.414 2.036 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104532388 543133835 /nfs/dbraw/zinc/13/38/35/543133835.db2.gz XQNPMWQLWGGUOO-AWEZNQCLSA-N 0 3 360.414 2.259 20 5 FEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN1c1cccnn1 ZINC000106086022 543192965 /nfs/dbraw/zinc/19/29/65/543192965.db2.gz QJFZYSVQLGSTFA-MRXNPFEDSA-N 0 3 357.414 2.364 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891519 543253142 /nfs/dbraw/zinc/25/31/42/543253142.db2.gz CBBYUTQGTYXSDQ-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1OC ZINC000108304988 543285914 /nfs/dbraw/zinc/28/59/14/543285914.db2.gz IZPIKRNGWZKBQR-CYBMUJFWSA-N 0 3 363.414 2.216 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000111911553 543425144 /nfs/dbraw/zinc/42/51/44/543425144.db2.gz ZVKBWUZFQQYBIU-CQSZACIVSA-N 0 3 370.409 2.170 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000112620155 543453961 /nfs/dbraw/zinc/45/39/61/543453961.db2.gz IMXDSWAMDMKACH-CYBMUJFWSA-N 0 3 363.414 2.360 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112922700 543468385 /nfs/dbraw/zinc/46/83/85/543468385.db2.gz KENVMGSPEMYING-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112922735 543469157 /nfs/dbraw/zinc/46/91/57/543469157.db2.gz MEEGAQNDVFYXPY-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869536 543728373 /nfs/dbraw/zinc/72/83/73/543728373.db2.gz KJLSRYHFMVEZOK-NEPJUHHUSA-N 0 3 351.403 2.167 20 5 FEBDHN CC(C)N1CCN(c2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000123196910 543748075 /nfs/dbraw/zinc/74/80/75/543748075.db2.gz RGSUQLHXLVMQBW-UHFFFAOYSA-N 0 3 358.402 2.101 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000124407703 543819093 /nfs/dbraw/zinc/81/90/93/543819093.db2.gz OWVNHCURBOAARH-KGLIPLIRSA-N 0 3 357.414 2.335 20 5 FEBDHN Cc1cccc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)c1[N+](=O)[O-] ZINC000126899049 543962326 /nfs/dbraw/zinc/96/23/26/543962326.db2.gz YVMNXCHMFYQEHV-HNNXBMFYSA-N 0 3 373.409 2.457 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1C1CC1 ZINC000127614449 544003967 /nfs/dbraw/zinc/00/39/67/544003967.db2.gz LWTVYKQKGABEPT-GJZGRUSLSA-N 0 3 373.457 2.052 20 5 FEBDHN CN(C)CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000130576622 544156418 /nfs/dbraw/zinc/15/64/18/544156418.db2.gz JAYFVVHJWXKGJN-UHFFFAOYSA-N 0 3 372.212 2.379 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000133637238 544278057 /nfs/dbraw/zinc/27/80/57/544278057.db2.gz XCSSDAPCOMBYNO-LLVKDONJSA-N 0 3 359.423 2.053 20 5 FEBDHN CC1CCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000135998960 544364409 /nfs/dbraw/zinc/36/44/09/544364409.db2.gz SIQDIANEKMRJBG-UHFFFAOYSA-N 0 3 357.414 2.242 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000154110054 544865499 /nfs/dbraw/zinc/86/54/99/544865499.db2.gz SKPUNDGLPANRLN-ZDUSSCGKSA-N 0 3 367.471 2.405 20 5 FEBDHN CN(C[C@@H](O)COCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154250988 544881262 /nfs/dbraw/zinc/88/12/62/544881262.db2.gz AETBFCYIRSUSHR-MOPGFXCFSA-N 0 3 360.410 2.138 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000179648529 327653097 /nfs/dbraw/zinc/65/30/97/327653097.db2.gz NRRDRSVUVDPRLN-UHFFFAOYSA-N 0 3 353.444 2.159 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000184883348 327887303 /nfs/dbraw/zinc/88/73/03/327887303.db2.gz NFUHNYKOSOSXLN-WMZOPIPTSA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c1F ZINC000187890280 328053048 /nfs/dbraw/zinc/05/30/48/328053048.db2.gz WJLQDOHLWJDDFC-UHFFFAOYSA-N 0 3 359.423 2.147 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000189382542 328144427 /nfs/dbraw/zinc/14/44/27/328144427.db2.gz KXIWEMDNVLYJJL-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189880829 328173160 /nfs/dbraw/zinc/17/31/60/328173160.db2.gz FLYXANVQEVOHCD-OAHLLOKOSA-N 0 3 351.447 2.141 20 5 FEBDHN CCc1ccc([C@@H](CNC(=O)c2nn(CC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000191759908 328280381 /nfs/dbraw/zinc/28/03/81/328280381.db2.gz IWKKRBVSMRGTMH-OAHLLOKOSA-N 0 3 359.430 2.406 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191995633 328292342 /nfs/dbraw/zinc/29/23/42/328292342.db2.gz BVXCYSAEDJQOAO-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000192061991 328297791 /nfs/dbraw/zinc/29/77/91/328297791.db2.gz YYJUGOISSFARBA-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN CN1C(=O)C[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192152391 328303129 /nfs/dbraw/zinc/30/31/29/328303129.db2.gz RXDKQCYFMJLUNC-CJNGLKHVSA-N 0 3 363.805 2.006 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000192498388 328322445 /nfs/dbraw/zinc/32/24/45/328322445.db2.gz KKWRDPLVQCGGEI-UHFFFAOYSA-N 0 3 372.473 2.479 20 5 FEBDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000192697747 328333604 /nfs/dbraw/zinc/33/36/04/328333604.db2.gz ZKXQKDSSXRNXMW-LBPRGKRZSA-N 0 3 351.403 2.491 20 5 FEBDHN C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135932 328359192 /nfs/dbraw/zinc/35/91/92/328359192.db2.gz IFQJQQKXEUCPNR-QWHCGFSZSA-N 0 3 355.460 2.287 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000193216180 328362904 /nfs/dbraw/zinc/36/29/04/328362904.db2.gz UXMXTLJYLXDZIT-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000193814401 328396855 /nfs/dbraw/zinc/39/68/55/328396855.db2.gz XSDSUVFGYBCKIZ-UHFFFAOYSA-N 0 3 370.409 2.254 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000065792383 324879910 /nfs/dbraw/zinc/87/99/10/324879910.db2.gz BNRLZXOHMGSIAY-CYBMUJFWSA-N 0 3 355.460 2.167 20 5 FEBDHN CCN1CCN(CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087330022 325280211 /nfs/dbraw/zinc/28/02/11/325280211.db2.gz NFEGGVYOIQQCSR-UHFFFAOYSA-N 0 3 362.474 2.061 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@H]1CCc2ccccc21 ZINC000090015313 325351458 /nfs/dbraw/zinc/35/14/58/325351458.db2.gz YEUDVZUMLLXCOX-HNNXBMFYSA-N 0 3 361.423 2.150 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000090015444 325351595 /nfs/dbraw/zinc/35/15/95/325351595.db2.gz DQCUJLSJTWFUCW-LLVKDONJSA-N 0 3 355.441 2.285 20 5 FEBDHN COC(=O)c1cc(C(=O)N(CCN(C)C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000104528556 325540155 /nfs/dbraw/zinc/54/01/55/325540155.db2.gz ODXNKRYECKEULA-UHFFFAOYSA-N 0 3 351.403 2.041 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCC(O)CC1 ZINC000118722934 326098741 /nfs/dbraw/zinc/09/87/41/326098741.db2.gz OLHCTCNWSSBMHK-CYBMUJFWSA-N 0 3 367.471 2.038 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121184148 326319894 /nfs/dbraw/zinc/31/98/94/326319894.db2.gz LXBYZKTWJKNMKA-DYVFJYSZSA-N 0 3 357.414 2.193 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000121286410 326327246 /nfs/dbraw/zinc/32/72/46/326327246.db2.gz BKJHYOCGALNOSJ-KGLIPLIRSA-N 0 3 355.460 2.363 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000122388789 326394809 /nfs/dbraw/zinc/39/48/09/326394809.db2.gz MUSIXMJEYFMABT-GDBMZVCRSA-N 0 3 367.471 2.316 20 5 FEBDHN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1 ZINC000128618082 326526993 /nfs/dbraw/zinc/52/69/93/326526993.db2.gz XIJWIBOWNYYCSR-UHFFFAOYSA-N 0 3 356.220 2.110 20 5 FEBDHN Cc1nc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000156924817 326848569 /nfs/dbraw/zinc/84/85/69/326848569.db2.gz GZCWZVOSBAOCPF-UHFFFAOYSA-N 0 3 359.386 2.494 20 5 FEBDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000161385446 326997898 /nfs/dbraw/zinc/99/78/98/326997898.db2.gz ZRPVKSLKGHFWBI-KRWDZBQOSA-N 0 3 356.426 2.296 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000163378997 327049913 /nfs/dbraw/zinc/04/99/13/327049913.db2.gz OBAXFFQDESERQJ-LJQANCHMSA-N 0 3 371.441 2.421 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCN(c2ncccn2)CC1 ZINC000164278515 327067808 /nfs/dbraw/zinc/06/78/08/327067808.db2.gz HIYWQJNLIBSUAM-MRXNPFEDSA-N 0 3 370.457 2.166 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000164721700 327073856 /nfs/dbraw/zinc/07/38/56/327073856.db2.gz RYXDVMVTWKIRAL-KRWDZBQOSA-N 0 3 373.409 2.077 20 5 FEBDHN COc1cccc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173594465 327269751 /nfs/dbraw/zinc/26/97/51/327269751.db2.gz MOSKDQVMRKOPIB-KRWDZBQOSA-N 0 3 360.414 2.040 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000173630987 327272536 /nfs/dbraw/zinc/27/25/36/327272536.db2.gz CSNNGGISJDVOQL-INIZCTEOSA-N 0 3 367.471 2.232 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000174883627 327357901 /nfs/dbraw/zinc/35/79/01/327357901.db2.gz KPZKFQSLRLCJPQ-GOSISDBHSA-N 0 3 362.474 2.205 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000264926079 329075241 /nfs/dbraw/zinc/07/52/41/329075241.db2.gz LUZZJUQSBWMEDJ-UHFFFAOYSA-N 0 3 358.398 2.405 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C2CCC2)CC1 ZINC000265155622 329097170 /nfs/dbraw/zinc/09/71/70/329097170.db2.gz UQMFKWQMSRNCMJ-UHFFFAOYSA-N 0 3 362.430 2.102 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC3(CCOCC3)C2)c1 ZINC000266046295 329184860 /nfs/dbraw/zinc/18/48/60/329184860.db2.gz XSNOBMPVKOEAKU-MRXNPFEDSA-N 0 3 350.415 2.227 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000266818019 329262538 /nfs/dbraw/zinc/26/25/38/329262538.db2.gz XIABUWWWCQTWIJ-TZMCWYRMSA-N 0 3 350.419 2.228 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000270756778 329628703 /nfs/dbraw/zinc/62/87/03/329628703.db2.gz KVYMKFGUPRDDNB-LBPRGKRZSA-N 0 3 351.432 2.203 20 5 FEBDHN CC(=O)NCC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271153739 329667339 /nfs/dbraw/zinc/66/73/39/329667339.db2.gz VJHCOQIWSWZRFZ-UHFFFAOYSA-N 0 3 371.441 2.343 20 5 FEBDHN CNC(=O)CN1CCC(Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272786706 329813540 /nfs/dbraw/zinc/81/35/40/329813540.db2.gz BLXMKDNXTFANFE-UHFFFAOYSA-N 0 3 357.414 2.074 20 5 FEBDHN CCO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458542 329866411 /nfs/dbraw/zinc/86/64/11/329866411.db2.gz QDEUPOFBJVEGTN-CABCVRRESA-N 0 3 356.444 2.162 20 5 FEBDHN COc1ccc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000273630372 329880256 /nfs/dbraw/zinc/88/02/56/329880256.db2.gz QEXUPSCNYRHBHY-OCCSQVGLSA-N 0 3 354.432 2.113 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275131091 330013604 /nfs/dbraw/zinc/01/36/04/330013604.db2.gz OOGXDPHZBXPBHV-HUUCEWRRSA-N 0 3 353.419 2.386 20 5 FEBDHN COc1cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000275774764 330087160 /nfs/dbraw/zinc/08/71/60/330087160.db2.gz AYZCFEYLXNWPBA-UHFFFAOYSA-N 0 3 361.402 2.099 20 5 FEBDHN Cc1sccc1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000555530313 674365041 /nfs/dbraw/zinc/36/50/41/674365041.db2.gz MMXKPRPODQVZNH-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155778453 545569500 /nfs/dbraw/zinc/56/95/00/545569500.db2.gz OVVDSQWRNRZLHM-RBSFLKMASA-N 0 3 369.487 2.381 20 5 FEBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156547723 545634815 /nfs/dbraw/zinc/63/48/15/545634815.db2.gz SGAHHYFCFUHKHK-HFTRVMKXSA-N 0 3 360.414 2.114 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000157306228 545725667 /nfs/dbraw/zinc/72/56/67/545725667.db2.gz OYCGNFITTNSCCM-KDOFPFPSSA-N 0 3 369.425 2.337 20 5 FEBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000158965112 545909199 /nfs/dbraw/zinc/90/91/99/545909199.db2.gz ZVWFJLBUQKGCGD-OAHLLOKOSA-N 0 3 367.471 2.074 20 5 FEBDHN CN1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000478401563 561165899 /nfs/dbraw/zinc/16/58/99/561165899.db2.gz RBCSEPVZKCLPPJ-MSOLQXFVSA-N 0 3 355.394 2.188 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000480084278 561202626 /nfs/dbraw/zinc/20/26/26/561202626.db2.gz JZSXUONOFPSENK-HNNXBMFYSA-N 0 3 351.451 2.201 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000176939489 546511988 /nfs/dbraw/zinc/51/19/88/546511988.db2.gz JXKZGRUVKYFDSL-UHFFFAOYSA-N 0 3 371.434 2.419 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177095897 546544032 /nfs/dbraw/zinc/54/40/32/546544032.db2.gz KUSLEMWKRRGWPP-OLZOCXBDSA-N 0 3 355.398 2.136 20 5 FEBDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745295 561240605 /nfs/dbraw/zinc/24/06/05/561240605.db2.gz CHFYAHMSRNZIFD-HOCLYGCPSA-N 0 3 352.387 2.016 20 5 FEBDHN COCCO[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000179361740 546940413 /nfs/dbraw/zinc/94/04/13/546940413.db2.gz HYAGEXRTIAZZSP-MRXNPFEDSA-N 0 3 365.430 2.359 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccsc1 ZINC000180528831 547124940 /nfs/dbraw/zinc/12/49/40/547124940.db2.gz RAJCCKNJRDZMBW-CQSZACIVSA-N 0 3 363.443 2.446 20 5 FEBDHN Cc1c(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000483827647 561284739 /nfs/dbraw/zinc/28/47/39/561284739.db2.gz YVFXQCMRHDTDHG-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN C[C@H](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183295218 547634409 /nfs/dbraw/zinc/63/44/09/547634409.db2.gz XOGMVJVBGRMFDM-OAHLLOKOSA-N 0 3 369.487 2.321 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000183487218 547669576 /nfs/dbraw/zinc/66/95/76/547669576.db2.gz JTCYUWIUWJZLEU-LLVKDONJSA-N 0 3 373.862 2.319 20 5 FEBDHN CC[C@H]1CCCCN1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184482963 547834646 /nfs/dbraw/zinc/83/46/46/547834646.db2.gz DDVLJOKMLDPCAW-HNNXBMFYSA-N 0 3 355.460 2.279 20 5 FEBDHN CN(C)[C@@H](CNC(=O)CN1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000184607467 547853653 /nfs/dbraw/zinc/85/36/53/547853653.db2.gz TTXJTWCSUXRDJN-IBGZPJMESA-N 0 3 368.437 2.376 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000184733903 547871626 /nfs/dbraw/zinc/87/16/26/547871626.db2.gz RFOZKWAVNNPNNL-GFCCVEGCSA-N 0 3 359.423 2.005 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000184913801 547899165 /nfs/dbraw/zinc/89/91/65/547899165.db2.gz OQMCGUCTGBTBCI-HZMBPMFUSA-N 0 3 359.423 2.003 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185328127 547971204 /nfs/dbraw/zinc/97/12/04/547971204.db2.gz OHDCABWEBJIMIR-QGZVFWFLSA-N 0 3 371.441 2.127 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@H]2CCOC[C@@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095803 561338038 /nfs/dbraw/zinc/33/80/38/561338038.db2.gz XTJSNQQBTPNNAO-YEWWUXTCSA-N 0 3 368.430 2.465 20 5 FEBDHN COCCCN1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486201215 561340893 /nfs/dbraw/zinc/34/08/93/561340893.db2.gz YVSXJZSJZXGHKP-UHFFFAOYSA-N 0 3 371.384 2.033 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN(CCc2ccccc2)CC1 ZINC000194332840 548467776 /nfs/dbraw/zinc/46/77/76/548467776.db2.gz FRDFLWANSBJVEY-UHFFFAOYSA-N 0 3 371.441 2.005 20 5 FEBDHN O=C([N-]c1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000238045500 548875029 /nfs/dbraw/zinc/87/50/29/548875029.db2.gz XLMCLXSKTBBEHN-UHFFFAOYSA-N 0 3 359.338 2.349 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488057186 561382399 /nfs/dbraw/zinc/38/23/99/561382399.db2.gz VWZUXTRTONWVFL-KRWDZBQOSA-N 0 3 364.446 2.204 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000246028507 549039093 /nfs/dbraw/zinc/03/90/93/549039093.db2.gz AAKBMMJSKXQFMR-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000246102697 549052103 /nfs/dbraw/zinc/05/21/03/549052103.db2.gz LSSXDMDXXVFDCZ-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246215670 549080558 /nfs/dbraw/zinc/08/05/58/549080558.db2.gz POTRJMKWTZFGRQ-OLZOCXBDSA-N 0 3 373.862 2.496 20 5 FEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263717290 549925221 /nfs/dbraw/zinc/92/52/21/549925221.db2.gz NXIZICXUHOKMID-GOSISDBHSA-N 0 3 371.441 2.498 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000270826237 550311184 /nfs/dbraw/zinc/31/11/84/550311184.db2.gz BZXJFKNDNVWGND-UHFFFAOYSA-N 0 3 366.487 2.287 20 5 FEBDHN CN(C)CCN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270998553 550330189 /nfs/dbraw/zinc/33/01/89/550330189.db2.gz VQCMSKCYMMUKNS-UHFFFAOYSA-N 0 3 372.267 2.190 20 5 FEBDHN COCCCOCCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000271500198 550380249 /nfs/dbraw/zinc/38/02/49/550380249.db2.gz DAYXYNNGGOPDEL-UHFFFAOYSA-N 0 3 353.419 2.217 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272698257 550465729 /nfs/dbraw/zinc/46/57/29/550465729.db2.gz YEYNZGRDEPRWBH-KSSFIOAISA-N 0 3 358.442 2.361 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277681021 550700736 /nfs/dbraw/zinc/70/07/36/550700736.db2.gz FOWUQFGTRCXAJD-LBPRGKRZSA-N 0 3 360.418 2.145 20 5 FEBDHN COC(=O)C1CCN(CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278367820 550778107 /nfs/dbraw/zinc/77/81/07/550778107.db2.gz KVXBLLFXWDPXCS-UHFFFAOYSA-N 0 3 362.430 2.250 20 5 FEBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497350 550792406 /nfs/dbraw/zinc/79/24/06/550792406.db2.gz WIKNCQLJLBLGNO-AWEZNQCLSA-N 0 3 357.414 2.227 20 5 FEBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497350 550792407 /nfs/dbraw/zinc/79/24/07/550792407.db2.gz WIKNCQLJLBLGNO-AWEZNQCLSA-N 0 3 357.414 2.227 20 5 FEBDHN C[C@@H](CN1CCOCC1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279664802 550914262 /nfs/dbraw/zinc/91/42/62/550914262.db2.gz DGBMRAHWCUMUBF-HNNXBMFYSA-N 0 3 374.441 2.445 20 5 FEBDHN CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000495713776 561490393 /nfs/dbraw/zinc/49/03/93/561490393.db2.gz RXVMDWNUCWCWIS-HUUCEWRRSA-N 0 3 351.472 2.376 20 5 FEBDHN CS(=O)(=O)C1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000280977880 551051313 /nfs/dbraw/zinc/05/13/13/551051313.db2.gz LTGYWGJFGRMXAK-HNNXBMFYSA-N 0 3 352.456 2.473 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000282459736 551232171 /nfs/dbraw/zinc/23/21/71/551232171.db2.gz FWEIXIFNLPYTHC-MRXNPFEDSA-N 0 3 350.806 2.436 20 5 FEBDHN CC1(C)C[C@@H](NCC2(OCCO)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000282722656 551263475 /nfs/dbraw/zinc/26/34/75/551263475.db2.gz MAPMTXUNXHAHLX-QGZVFWFLSA-N 0 3 364.442 2.465 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000283828606 551434053 /nfs/dbraw/zinc/43/40/53/551434053.db2.gz GAZVZZWOUGOTDK-GFCCVEGCSA-N 0 3 350.394 2.407 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500937 561526059 /nfs/dbraw/zinc/52/60/59/561526059.db2.gz ZQBDZXCLXFULMF-XWIASGKRSA-N 0 3 368.821 2.080 20 5 FEBDHN COc1ccc(C(=O)NCCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285336076 551740189 /nfs/dbraw/zinc/74/01/89/551740189.db2.gz UMVARLBUEPJGPA-GFCCVEGCSA-N 0 3 358.398 2.266 20 5 FEBDHN COc1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000285404528 551750732 /nfs/dbraw/zinc/75/07/32/551750732.db2.gz FJNCXGVKQZHMAE-OAHLLOKOSA-N 0 3 362.430 2.373 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922233 561537990 /nfs/dbraw/zinc/53/79/90/561537990.db2.gz BFMNSIFFGZZSSZ-UONOGXRCSA-N 0 3 364.446 2.347 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285910180 551826069 /nfs/dbraw/zinc/82/60/69/551826069.db2.gz YZTFSBXIBMIRRJ-CQSZACIVSA-N 0 3 373.413 2.150 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000286545813 551898386 /nfs/dbraw/zinc/89/83/86/551898386.db2.gz ZRTZTQQOCHZARY-AGUYFDCRSA-N 0 3 362.430 2.099 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569675 551900992 /nfs/dbraw/zinc/90/09/92/551900992.db2.gz DYWMRQWRMGCHJF-FZMZJTMJSA-N 0 3 373.862 2.496 20 5 FEBDHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c(C)c1OC ZINC000286953700 551944108 /nfs/dbraw/zinc/94/41/08/551944108.db2.gz MSZQEUTUHLYVFI-CYBMUJFWSA-N 0 3 361.398 2.433 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117778 551965624 /nfs/dbraw/zinc/96/56/24/551965624.db2.gz MBNLOWPSFXPFKB-HOCLYGCPSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117776 551965768 /nfs/dbraw/zinc/96/57/68/551965768.db2.gz MBNLOWPSFXPFKB-GOEBONIOSA-N 0 3 369.425 2.479 20 5 FEBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(CC3CCOCC3)CC2)s1 ZINC000287407219 551999939 /nfs/dbraw/zinc/99/99/39/551999939.db2.gz SNLRZFYEBJGEER-UHFFFAOYSA-N 0 3 363.443 2.148 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288871810 552228302 /nfs/dbraw/zinc/22/83/02/552228302.db2.gz QWZYBCSQXZIJQZ-LBPRGKRZSA-N 0 3 350.419 2.078 20 5 FEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000500176530 561567312 /nfs/dbraw/zinc/56/73/12/561567312.db2.gz FRIIURODLJKDMT-RHSMWYFYSA-N 0 3 374.445 2.090 20 5 FEBDHN C[C@@H](CCCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289509405 552332812 /nfs/dbraw/zinc/33/28/12/552332812.db2.gz MWVVOWFSNHUGRG-VIFPVBQESA-N 0 3 364.183 2.450 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000290014643 552414136 /nfs/dbraw/zinc/41/41/36/552414136.db2.gz JJZBASGYDQPKAW-LLVKDONJSA-N 0 3 368.409 2.217 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514317 552491047 /nfs/dbraw/zinc/49/10/47/552491047.db2.gz AYFOABAXOGXAHA-WFASDCNBSA-N 0 3 355.398 2.021 20 5 FEBDHN C[C@@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291191514 552597969 /nfs/dbraw/zinc/59/79/69/552597969.db2.gz STVRBJSFVYINJQ-IUODEOHRSA-N 0 3 355.398 2.164 20 5 FEBDHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000292060340 552689397 /nfs/dbraw/zinc/68/93/97/552689397.db2.gz OPJGGSYYVGGMDZ-CQSZACIVSA-N 0 3 367.471 2.231 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC3(CC2)OCCCO3)cccc1[N+](=O)[O-] ZINC000292905196 552769968 /nfs/dbraw/zinc/76/99/68/552769968.db2.gz FBJMCGCHMHZGTC-UHFFFAOYSA-N 0 3 363.414 2.461 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293007584 552779991 /nfs/dbraw/zinc/77/99/91/552779991.db2.gz JOSUQKJWQJRLNH-KRWDZBQOSA-N 0 3 365.430 2.319 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778868 561605389 /nfs/dbraw/zinc/60/53/89/561605389.db2.gz WPEISYRFHCLSHM-SJORKVTESA-N 0 3 370.453 2.351 20 5 FEBDHN C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295360775 552993738 /nfs/dbraw/zinc/99/37/38/552993738.db2.gz OAPPAEOUXGNUOQ-CQSZACIVSA-N 0 3 369.425 2.337 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000295862966 553069184 /nfs/dbraw/zinc/06/91/84/553069184.db2.gz DYUOKLHZHSGEML-YJBOKZPZSA-N 0 3 362.426 2.226 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296762329 553208562 /nfs/dbraw/zinc/20/85/62/553208562.db2.gz PHOPCTHKXBYVMG-CQSZACIVSA-N 0 3 364.402 2.004 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297288887 553274043 /nfs/dbraw/zinc/27/40/43/553274043.db2.gz XWFCWMXZZKNECZ-KRWDZBQOSA-N 0 3 355.442 2.359 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000297837478 553345230 /nfs/dbraw/zinc/34/52/30/553345230.db2.gz KHQCBXRTXXAKFB-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN O=C(NCCN1CCCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297900042 553354771 /nfs/dbraw/zinc/35/47/71/553354771.db2.gz OUEQJZPYZJTXMI-UHFFFAOYSA-N 0 3 368.821 2.179 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000503516954 561643406 /nfs/dbraw/zinc/64/34/06/561643406.db2.gz NZAHROMUKNXTSC-CHWSQXEVSA-N 0 3 364.370 2.118 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000298293236 553408909 /nfs/dbraw/zinc/40/89/09/553408909.db2.gz XRGJEESBFARMHI-UHFFFAOYSA-N 0 3 362.430 2.093 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503929 561643152 /nfs/dbraw/zinc/64/31/52/561643152.db2.gz JRFXBSKUZCKXQK-HUUCEWRRSA-N 0 3 369.487 2.320 20 5 FEBDHN COc1ccc(CNC(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000298916632 553489047 /nfs/dbraw/zinc/48/90/47/553489047.db2.gz GVXOESGGQMELSF-ZDUSSCGKSA-N 0 3 350.419 2.277 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC000301274869 553638005 /nfs/dbraw/zinc/63/80/05/553638005.db2.gz IPEPHTQDCUGPCK-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN C[C@@H]1CN2CCC[C@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301283632 553639108 /nfs/dbraw/zinc/63/91/08/553639108.db2.gz NNPMWHKZCYEKEP-HIFRSBDPSA-N 0 3 369.425 2.232 20 5 FEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1Cc1ccccc1 ZINC000301617531 553666139 /nfs/dbraw/zinc/66/61/39/553666139.db2.gz KMVAKUYMXUDAIE-TZMCWYRMSA-N 0 3 355.398 2.164 20 5 FEBDHN COc1cccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N(C)C)c1 ZINC000301834565 553683861 /nfs/dbraw/zinc/68/38/61/553683861.db2.gz KLSPIFJBPYKYOA-AWEZNQCLSA-N 0 3 356.386 2.361 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1NC1CCN([C@H]2CCOC2)CC1 ZINC000301914290 553691260 /nfs/dbraw/zinc/69/12/60/553691260.db2.gz IBCAQRXQUXYKNG-NSHDSACASA-N 0 3 371.235 2.418 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](N2CCCC2)C1 ZINC000319215333 553763958 /nfs/dbraw/zinc/76/39/58/553763958.db2.gz SAQCVVMUGRHSJS-JTQLQIEISA-N 0 3 369.219 2.063 20 5 FEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994080 561713429 /nfs/dbraw/zinc/71/34/29/561713429.db2.gz DWGSFDNSMFPAQV-GXTWGEPZSA-N 0 3 355.398 2.336 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000507975195 561747834 /nfs/dbraw/zinc/74/78/34/561747834.db2.gz PHKJDSVXNZVHRG-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN O=C(CCN1CCS[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621645 554296814 /nfs/dbraw/zinc/29/68/14/554296814.db2.gz FHZPJDMULLQVSM-GJZGRUSLSA-N 0 3 351.428 2.130 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000332075356 554374581 /nfs/dbraw/zinc/37/45/81/554374581.db2.gz FRDRMJHSQMRGEF-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510521595 561837496 /nfs/dbraw/zinc/83/74/96/561837496.db2.gz IPDWYZNTNUPHBL-IUODEOHRSA-N 0 3 359.430 2.366 20 5 FEBDHN COCCCN1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363111976 555033363 /nfs/dbraw/zinc/03/33/63/555033363.db2.gz UAVFBRDOBJJMFH-UHFFFAOYSA-N 0 3 355.822 2.433 20 5 FEBDHN Cc1cc(C2=CCN(C(=O)C3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1N ZINC000363302572 555074158 /nfs/dbraw/zinc/07/41/58/555074158.db2.gz RLKVOXYVCMRHAO-UHFFFAOYSA-N 0 3 358.442 2.443 20 5 FEBDHN O=C(CCNCc1cccc([N+](=O)[O-])c1)N1CCOc2ccccc2C1 ZINC000363404487 555097245 /nfs/dbraw/zinc/09/72/45/555097245.db2.gz MJQWFFMMTPUITL-UHFFFAOYSA-N 0 3 355.394 2.496 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364066852 555243896 /nfs/dbraw/zinc/24/38/96/555243896.db2.gz FATDGRUDYFOGSA-UHFFFAOYSA-N 0 3 363.458 2.439 20 5 FEBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000364179830 555264120 /nfs/dbraw/zinc/26/41/20/555264120.db2.gz HDQOSVVKFVMZQC-SJORKVTESA-N 0 3 369.425 2.057 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000364695123 555376851 /nfs/dbraw/zinc/37/68/51/555376851.db2.gz LWRXFYMEKOKXPN-OAHLLOKOSA-N 0 3 353.382 2.053 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000513478006 561939828 /nfs/dbraw/zinc/93/98/28/561939828.db2.gz ANRVSUBKIVAOQN-JTDSTZFVSA-N 0 3 365.474 2.275 20 5 FEBDHN O=C1[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866128 561952858 /nfs/dbraw/zinc/95/28/58/561952858.db2.gz NZRDOARSWQPSPF-VQHPVUNQSA-N 0 3 357.410 2.247 20 5 FEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000366661374 555902044 /nfs/dbraw/zinc/90/20/44/555902044.db2.gz YXUMKKQAEPFUOF-DLBZAZTESA-N 0 3 357.414 2.019 20 5 FEBDHN COc1cc(OCC(=O)Nc2cccc3c2CNCC3)ccc1[N+](=O)[O-] ZINC000367653926 556105486 /nfs/dbraw/zinc/10/54/86/556105486.db2.gz RHMUWDYWJZQSSX-UHFFFAOYSA-N 0 3 357.366 2.267 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367713935 556121374 /nfs/dbraw/zinc/12/13/74/556121374.db2.gz XGRIAQIDICPNLG-HNNXBMFYSA-N 0 3 363.395 2.202 20 5 FEBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000514963404 561989155 /nfs/dbraw/zinc/98/91/55/561989155.db2.gz OLDHSSNAATXVAV-SFHVURJKSA-N 0 3 355.398 2.056 20 5 FEBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000368385701 556293728 /nfs/dbraw/zinc/29/37/28/556293728.db2.gz QBVFOUMYTBBXIG-STQMWFEESA-N 0 3 350.394 2.015 20 5 FEBDHN Cc1nn(C)c(C(=O)NC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000368804108 556417480 /nfs/dbraw/zinc/41/74/80/556417480.db2.gz FJVFCMNIEMVOKB-UHFFFAOYSA-N 0 3 363.443 2.093 20 5 FEBDHN C[C@H](CO)N1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000368966048 556461406 /nfs/dbraw/zinc/46/14/06/556461406.db2.gz NFRZPEJKQDUBNI-CQSZACIVSA-N 0 3 360.414 2.138 20 5 FEBDHN COCC1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCC1 ZINC000515869937 562024359 /nfs/dbraw/zinc/02/43/59/562024359.db2.gz IFSXNAOXLCPCRK-UHFFFAOYSA-N 0 3 352.387 2.195 20 5 FEBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229930 556542620 /nfs/dbraw/zinc/54/26/20/556542620.db2.gz UJCRFVJGPITGHD-WMZOPIPTSA-N 0 3 360.414 2.295 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000369998011 556753169 /nfs/dbraw/zinc/75/31/69/556753169.db2.gz QINOSOBEODCIMF-OAHLLOKOSA-N 0 3 371.441 2.223 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000370914496 557013552 /nfs/dbraw/zinc/01/35/52/557013552.db2.gz YIUVGBQFSYGXPR-APWZRJJASA-N 0 3 371.441 2.224 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000371356313 557158395 /nfs/dbraw/zinc/15/83/95/557158395.db2.gz WWTBTXYNVHZPHC-HVMFBIMJSA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371872661 557316035 /nfs/dbraw/zinc/31/60/35/557316035.db2.gz MPBQYLFIRPTOSR-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN CN1CCC(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000372529577 557494587 /nfs/dbraw/zinc/49/45/87/557494587.db2.gz RSTQAMKMFSINNV-PKOBYXMFSA-N 0 3 372.469 2.336 20 5 FEBDHN CN(C)C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725224 557548156 /nfs/dbraw/zinc/54/81/56/557548156.db2.gz HCZGYPZUYVNUGG-FUHWJXTLSA-N 0 3 357.410 2.457 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373230129 557654243 /nfs/dbraw/zinc/65/42/43/557654243.db2.gz PTDWHDNEESFPFA-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520978259 562166794 /nfs/dbraw/zinc/16/67/94/562166794.db2.gz WWNWUKAXVYNYIP-OKILXGFUSA-N 0 3 372.429 2.168 20 5 FEBDHN C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896624 557947529 /nfs/dbraw/zinc/94/75/29/557947529.db2.gz OZZSAFNZFGIRCQ-FUHWJXTLSA-N 0 3 373.457 2.013 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000374917088 557950965 /nfs/dbraw/zinc/95/09/65/557950965.db2.gz XWYWZBUTPQETGE-ZWNOBZJWSA-N 0 3 355.341 2.362 20 5 FEBDHN Cc1cccc(OC[C@H](O)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000521436500 562176465 /nfs/dbraw/zinc/17/64/65/562176465.db2.gz ZNDLUJLYZYSLOV-OAHLLOKOSA-N 0 3 373.409 2.261 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375879165 558092771 /nfs/dbraw/zinc/09/27/71/558092771.db2.gz HHADLPAWZPLINH-OVKVCFKUSA-N 0 3 372.469 2.235 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893279 558095138 /nfs/dbraw/zinc/09/51/38/558095138.db2.gz YFSDXWUFDHGEKL-KRWDZBQOSA-N 0 3 362.474 2.074 20 5 FEBDHN O=C(CCN1CCC(Oc2cnccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000376032363 558116555 /nfs/dbraw/zinc/11/65/55/558116555.db2.gz LNPAPLZFMRPDPJ-UHFFFAOYSA-N 0 3 371.397 2.257 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000376197882 558139820 /nfs/dbraw/zinc/13/98/20/558139820.db2.gz PMHYAMQBDXGNAM-GFCCVEGCSA-N 0 3 356.382 2.146 20 5 FEBDHN O=C1CC[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)N1 ZINC000377727185 558406175 /nfs/dbraw/zinc/40/61/75/558406175.db2.gz RGPBLFNLFCHCIM-BJJXKVORSA-N 0 3 353.806 2.164 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000522884226 562205394 /nfs/dbraw/zinc/20/53/94/562205394.db2.gz JTIRUEZPXIUGOP-INIZCTEOSA-N 0 3 371.441 2.439 20 5 FEBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C1CCN(C)CC1 ZINC000378344569 558534244 /nfs/dbraw/zinc/53/42/44/558534244.db2.gz AOYVDEJKRWWDAA-AWEZNQCLSA-N 0 3 361.446 2.227 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N(C)C ZINC000523699681 562218078 /nfs/dbraw/zinc/21/80/78/562218078.db2.gz BBXQEQGJODBDCI-CYBMUJFWSA-N 0 3 351.403 2.072 20 5 FEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524700367 562232623 /nfs/dbraw/zinc/23/26/23/562232623.db2.gz BIKWEHNWAMXQEA-INIZCTEOSA-N 0 3 357.414 2.337 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000411125273 558841020 /nfs/dbraw/zinc/84/10/20/558841020.db2.gz JHWAGRXPDDZSLU-UHFFFAOYSA-N 0 3 362.430 2.222 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525292209 562245244 /nfs/dbraw/zinc/24/52/44/562245244.db2.gz YXIAVUBSUJKOHP-LBPRGKRZSA-N 0 3 355.822 2.475 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000525324531 562246109 /nfs/dbraw/zinc/24/61/09/562246109.db2.gz PKVLPQKFVHZVPZ-AWEZNQCLSA-N 0 3 361.446 2.241 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428583 558893640 /nfs/dbraw/zinc/89/36/40/558893640.db2.gz QAGJFUNJJAGMLD-KGLIPLIRSA-N 0 3 364.446 2.347 20 5 FEBDHN CC[C@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687603 562252251 /nfs/dbraw/zinc/25/22/51/562252251.db2.gz BXCHEBQVQFYJHV-ZDUSSCGKSA-N 0 3 370.475 2.169 20 5 FEBDHN CC[C@H]1CCC[N@H+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687603 562252252 /nfs/dbraw/zinc/25/22/52/562252252.db2.gz BXCHEBQVQFYJHV-ZDUSSCGKSA-N 0 3 370.475 2.169 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000411659161 558937857 /nfs/dbraw/zinc/93/78/57/558937857.db2.gz YDQXWQVSHCUYLC-CJNGLKHVSA-N 0 3 351.403 2.049 20 5 FEBDHN NC(=O)[C@]1(c2ccccc2)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411971539 558997694 /nfs/dbraw/zinc/99/76/94/558997694.db2.gz UAYVZUOEEDEXQC-LJQANCHMSA-N 0 3 355.394 2.103 20 5 FEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1N(C)C ZINC000413199949 559087880 /nfs/dbraw/zinc/08/78/80/559087880.db2.gz DPRQLMZERVUFKF-WDEREUQCSA-N 0 3 350.366 2.490 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161382 559151278 /nfs/dbraw/zinc/15/12/78/559151278.db2.gz BTRQLXNDAQTSJA-MMPTUQATSA-N 0 3 351.403 2.334 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000415423072 559234628 /nfs/dbraw/zinc/23/46/28/559234628.db2.gz FVWDWAIUJYQFMN-CQSZACIVSA-N 0 3 362.430 2.174 20 5 FEBDHN COc1ccc(NC(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000415451479 559238464 /nfs/dbraw/zinc/23/84/64/559238464.db2.gz XHRYOZOKRYBLKS-UHFFFAOYSA-N 0 3 359.386 2.300 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000416428309 559312194 /nfs/dbraw/zinc/31/21/94/559312194.db2.gz TZSNRSRLIGPVES-AWEZNQCLSA-N 0 3 361.423 2.236 20 5 FEBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416476751 559316150 /nfs/dbraw/zinc/31/61/50/559316150.db2.gz ZBMOJNZCGAUQIF-UHFFFAOYSA-N 0 3 369.365 2.232 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000416561066 559321921 /nfs/dbraw/zinc/32/19/21/559321921.db2.gz TYONVECJSBASTF-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420384770 559484337 /nfs/dbraw/zinc/48/43/37/559484337.db2.gz GTSZJWQXNATXEX-OCBCSQNSSA-N 0 3 372.400 2.488 20 5 FEBDHN CN(C(=O)CN1C[C@@H](c2ccccc2F)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420387425 559484666 /nfs/dbraw/zinc/48/46/66/559484666.db2.gz KIECPZKKIDNXBH-FUHWJXTLSA-N 0 3 372.400 2.123 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)NC(C)(C)C ZINC000527288833 562283941 /nfs/dbraw/zinc/28/39/41/562283941.db2.gz HBDFRCXZRRHNPS-JLHYYAGUSA-N 0 3 355.460 2.306 20 5 FEBDHN CSC1(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000421395070 559541138 /nfs/dbraw/zinc/54/11/38/559541138.db2.gz YANPCHRGGYZRBL-UHFFFAOYSA-N 0 3 373.500 2.091 20 5 FEBDHN CC(C)c1ccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000424021007 559651480 /nfs/dbraw/zinc/65/14/80/559651480.db2.gz SVKRMQSFMCTXFF-OAHLLOKOSA-N 0 3 372.429 2.246 20 5 FEBDHN N[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424039605 559652152 /nfs/dbraw/zinc/65/21/52/559652152.db2.gz OOUWXONCDSCQNM-DZGCQCFKSA-N 0 3 358.373 2.099 20 5 FEBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424235244 559658809 /nfs/dbraw/zinc/65/88/09/559658809.db2.gz KRJCIFIFWRPDNW-GOEBONIOSA-N 0 3 371.441 2.193 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428321443 559773339 /nfs/dbraw/zinc/77/33/39/559773339.db2.gz ARFHUIUOARHQOP-GOSISDBHSA-N 0 3 357.414 2.411 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429322670 559796011 /nfs/dbraw/zinc/79/60/11/559796011.db2.gz NNUAWNRDBZNWFM-GFCCVEGCSA-N 0 3 357.366 2.005 20 5 FEBDHN CCOc1cccc(NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000431473625 559839946 /nfs/dbraw/zinc/83/99/46/559839946.db2.gz RZQDNZIVPFAZSG-UHFFFAOYSA-N 0 3 364.446 2.398 20 5 FEBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000436718682 559950000 /nfs/dbraw/zinc/95/00/00/559950000.db2.gz FUOUFCPAALJKQV-HNNXBMFYSA-N 0 3 357.414 2.091 20 5 FEBDHN CCOC(=O)Cn1nc(C)c(CNCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000438196342 559975524 /nfs/dbraw/zinc/97/55/24/559975524.db2.gz AQJMZEVLKBWTQQ-UHFFFAOYSA-N 0 3 360.414 2.304 20 5 FEBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439684963 559998812 /nfs/dbraw/zinc/99/88/12/559998812.db2.gz MXTNYLTUSOLELH-OAHLLOKOSA-N 0 3 356.430 2.315 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440520176 560013519 /nfs/dbraw/zinc/01/35/19/560013519.db2.gz LCCPUJCGTYBOLN-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785872 560092943 /nfs/dbraw/zinc/09/29/43/560092943.db2.gz YHSFWSJBGQOOMR-OKILXGFUSA-N 0 3 355.460 2.277 20 5 FEBDHN Nc1c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cccc1[N+](=O)[O-] ZINC000444447703 560113980 /nfs/dbraw/zinc/11/39/80/560113980.db2.gz AAQDCJYXGQNBCQ-UHFFFAOYSA-N 0 3 370.409 2.386 20 5 FEBDHN CN(C)C1(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCC1 ZINC000445610055 560133196 /nfs/dbraw/zinc/13/31/96/560133196.db2.gz WXZYPJBRBNIGQT-UHFFFAOYSA-N 0 3 357.414 2.456 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318430 560144245 /nfs/dbraw/zinc/14/42/45/560144245.db2.gz BVUXIVKRBFURRF-GPMSIDNRSA-N 0 3 359.426 2.012 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CN1C1CC1 ZINC000450071311 560249875 /nfs/dbraw/zinc/24/98/75/560249875.db2.gz BBRQMQCOHBILMT-OCCSQVGLSA-N 0 3 355.398 2.136 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149179 560252275 /nfs/dbraw/zinc/25/22/75/560252275.db2.gz VETJWJJDDHSVTR-PXAZEXFGSA-N 0 3 357.414 2.443 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414359 560305608 /nfs/dbraw/zinc/30/56/08/560305608.db2.gz IFHCCORKGVCBRO-JQHSSLGASA-N 0 3 359.426 2.109 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000451543480 560313544 /nfs/dbraw/zinc/31/35/44/560313544.db2.gz BYYMXQVWZADCLI-FUHWJXTLSA-N 0 3 364.442 2.331 20 5 FEBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451599697 560316757 /nfs/dbraw/zinc/31/67/57/560316757.db2.gz QTKJNGHNNNVTIQ-FUHWJXTLSA-N 0 3 351.447 2.436 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000451919770 560337351 /nfs/dbraw/zinc/33/73/51/560337351.db2.gz UGMKEMVXIRHJLF-HNNXBMFYSA-N 0 3 366.849 2.035 20 5 FEBDHN CCN1CCN(CC(C)(C)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000451982769 560342211 /nfs/dbraw/zinc/34/22/11/560342211.db2.gz KAHAFWGIHKIKQU-UHFFFAOYSA-N 0 3 350.463 2.109 20 5 FEBDHN C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000452176800 560354834 /nfs/dbraw/zinc/35/48/34/560354834.db2.gz VYFRIHDOVGPRTN-GFCCVEGCSA-N 0 3 370.409 2.405 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000453454338 560387060 /nfs/dbraw/zinc/38/70/60/560387060.db2.gz TXCZQHFOQNEKSW-XNRPHZJLSA-N 0 3 360.414 2.055 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)CN1CCCCC1 ZINC000454297353 560438477 /nfs/dbraw/zinc/43/84/77/560438477.db2.gz HJVSATOSSJRGDC-NSHDSACASA-N 0 3 356.810 2.217 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000454763480 560457275 /nfs/dbraw/zinc/45/72/75/560457275.db2.gz DDHFQFZWZFLJJM-DOMZBBRYSA-N 0 3 352.822 2.136 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000455030519 560467897 /nfs/dbraw/zinc/46/78/97/560467897.db2.gz DFLKCQWOWKMXBZ-HNNXBMFYSA-N 0 3 369.425 2.398 20 5 FEBDHN CNc1nc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000456040778 560505281 /nfs/dbraw/zinc/50/52/81/560505281.db2.gz FDHNOEJIWXLGDV-BLLLJJGKSA-N 0 3 357.414 2.453 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458200058 560608650 /nfs/dbraw/zinc/60/86/50/560608650.db2.gz RUWRXJQGQIUZPS-UHFFFAOYSA-N 0 3 361.402 2.381 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000458499535 560627741 /nfs/dbraw/zinc/62/77/41/560627741.db2.gz JWABSENFBVXSKH-ZBFHGGJFSA-N 0 3 364.446 2.110 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000460904982 560755067 /nfs/dbraw/zinc/75/50/67/560755067.db2.gz XLEWEXRGFWRZHT-UHFFFAOYSA-N 0 3 357.476 2.478 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000462191672 560800992 /nfs/dbraw/zinc/80/09/92/560800992.db2.gz WAPVYQCESJFZOP-WMLDXEAASA-N 0 3 371.441 2.163 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000467088052 560903399 /nfs/dbraw/zinc/90/33/99/560903399.db2.gz DIVCPKPYUCCILT-CMPLNLGQSA-N 0 3 361.489 2.316 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616744 560985922 /nfs/dbraw/zinc/98/59/22/560985922.db2.gz DYXGSTZQQZLVDD-JHJVBQTASA-N 0 3 373.450 2.379 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1nnnn1CC1CC1 ZINC000471602495 561008406 /nfs/dbraw/zinc/00/84/06/561008406.db2.gz OOVNQKPSXZTVGQ-GDBMZVCRSA-N 0 3 356.430 2.492 20 5 FEBDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000472644284 561031863 /nfs/dbraw/zinc/03/18/63/561031863.db2.gz UYNDWQYXNONETI-OAHLLOKOSA-N 0 3 368.409 2.155 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366092 561072257 /nfs/dbraw/zinc/07/22/57/561072257.db2.gz AKVOXOHWXTUFEM-GXTWGEPZSA-N 0 3 352.387 2.194 20 5 FEBDHN CCOC[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926815 561085584 /nfs/dbraw/zinc/08/55/84/561085584.db2.gz BXUDEVMOGZBBFJ-XJKSGUPXSA-N 0 3 356.444 2.163 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000475753412 561104436 /nfs/dbraw/zinc/10/44/36/561104436.db2.gz XWBNEPJUVPAGPH-SJLPKXTDSA-N 0 3 350.415 2.227 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000533344639 562506078 /nfs/dbraw/zinc/50/60/78/562506078.db2.gz HFFUOQACJKKXEC-UHFFFAOYSA-N 0 3 365.430 2.094 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000535015521 562547950 /nfs/dbraw/zinc/54/79/50/562547950.db2.gz UMMAVIJZNHGGHX-ZDUSSCGKSA-N 0 3 367.471 2.405 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000535257866 562554261 /nfs/dbraw/zinc/55/42/61/562554261.db2.gz RNESWUWHPGMNGR-CQSZACIVSA-N 0 3 371.393 2.226 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114211 562603492 /nfs/dbraw/zinc/60/34/92/562603492.db2.gz KSCSPCPLJVWAJI-AWEZNQCLSA-N 0 3 364.446 2.067 20 5 FEBDHN CS[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000541843666 567958068 /nfs/dbraw/zinc/95/80/68/567958068.db2.gz HXOLGFAFJGXLOW-JKSUJKDBSA-N 0 3 364.471 2.045 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000568570352 568056957 /nfs/dbraw/zinc/05/69/57/568056957.db2.gz GNIVOKCUYOEUNM-INIZCTEOSA-N 0 3 364.446 2.372 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254992 568320979 /nfs/dbraw/zinc/32/09/79/568320979.db2.gz GOBPUKDLEWDKRW-OBJOEFQTSA-N 0 3 361.398 2.126 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920872 674427924 /nfs/dbraw/zinc/42/79/24/674427924.db2.gz PNPSDNDFPYTEOE-ZFWWWQNUSA-N 0 3 355.460 2.368 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000808354129 674456059 /nfs/dbraw/zinc/45/60/59/674456059.db2.gz IWLQKVJMHUBXCW-LBPRGKRZSA-N 0 3 361.439 2.441 20 5 FEBDHN CC[C@H]1CN2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000688 606226806 /nfs/dbraw/zinc/22/68/06/606226806.db2.gz HXBDWLBUNZGEHF-UONOGXRCSA-N 0 3 357.418 2.228 20 5 FEBDHN COC[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589266488 672517978 /nfs/dbraw/zinc/51/79/78/672517978.db2.gz UYMSVBLGFQLXKK-QMMMGPOBSA-N 0 3 350.156 2.324 20 5 FEBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750304 675077653 /nfs/dbraw/zinc/07/76/53/675077653.db2.gz LDLOYDINFHOUKB-HUUCEWRRSA-N 0 3 353.806 2.183 20 5 FEBDHN COC1([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000817297859 675119169 /nfs/dbraw/zinc/11/91/69/675119169.db2.gz WNWLKHLEUKBAGB-NSHDSACASA-N 0 3 371.821 2.360 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2c(F)cccc2F)cc1 ZINC000570849312 670777619 /nfs/dbraw/zinc/77/76/19/670777619.db2.gz YOZIKRZDROZLIV-UHFFFAOYSA-N 0 3 370.377 2.479 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1CCOC ZINC000565922593 675161332 /nfs/dbraw/zinc/16/13/32/675161332.db2.gz MAXDQCFRJXXJHI-OAHLLOKOSA-N 0 3 350.419 2.390 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020280 675168331 /nfs/dbraw/zinc/16/83/31/675168331.db2.gz KWEUHUSUXAIZOQ-QLFBSQMISA-N 0 3 353.444 2.032 20 5 FEBDHN [NH3+]C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000123550024 671981647 /nfs/dbraw/zinc/98/16/47/671981647.db2.gz VKHZLSRYYZRRNV-UHFFFAOYSA-N 0 3 367.349 2.162 20 5 FEBDHN Cc1c(Br)cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045379 672556000 /nfs/dbraw/zinc/55/60/00/672556000.db2.gz QEHKSHNBZMFHDX-YGRLFVJLSA-N 0 3 368.231 2.442 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1C ZINC000193814915 672737240 /nfs/dbraw/zinc/73/72/40/672737240.db2.gz QOVDAVLLTSTJCO-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193907842 672740574 /nfs/dbraw/zinc/74/05/74/672740574.db2.gz UYKXVVYYTCWZAJ-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN [NH3+][C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381049 672794935 /nfs/dbraw/zinc/79/49/35/672794935.db2.gz ZJHAEEQBNSPEQC-NXEZZACHSA-N 0 3 367.349 2.162 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592543837 672812743 /nfs/dbraw/zinc/81/27/43/672812743.db2.gz PFOQTHSXJXDJND-CQSZACIVSA-N 0 3 367.471 2.293 20 5 FEBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593674399 672976810 /nfs/dbraw/zinc/97/68/10/672976810.db2.gz RRRLHZSQKPYKRB-AWEZNQCLSA-N 0 3 352.387 2.148 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@@](C)(CO)OC)o2)c([N+](=O)[O-])c1 ZINC000594508565 673094721 /nfs/dbraw/zinc/09/47/21/673094721.db2.gz DCLKXWPABBBORB-KRWDZBQOSA-N 0 3 350.371 2.350 20 5 FEBDHN COc1cc(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636417 673277104 /nfs/dbraw/zinc/27/71/04/673277104.db2.gz YWLQQASJROLMEJ-NJZAAPMLSA-N 0 3 356.394 2.398 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348632 673535363 /nfs/dbraw/zinc/53/53/63/673535363.db2.gz RNOYGKSJMYGBES-ZIAGYGMSSA-N 0 3 350.419 2.066 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610440 673590082 /nfs/dbraw/zinc/59/00/82/673590082.db2.gz BVQSOPWFICELMZ-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CCCN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598610464 673590171 /nfs/dbraw/zinc/59/01/71/673590171.db2.gz NZNCYKDMUUZIKY-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCOCC3(CCCC3)C2)c1 ZINC000614222639 676165469 /nfs/dbraw/zinc/16/54/69/676165469.db2.gz QPBKSJLZIBDBHW-INIZCTEOSA-N 0 3 350.415 2.227 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632062 673699745 /nfs/dbraw/zinc/69/97/45/673699745.db2.gz TXXVWDHIHCMLMK-XESHVACXSA-N 0 3 365.455 2.217 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599632327 673699881 /nfs/dbraw/zinc/69/98/81/673699881.db2.gz ZRWUWRXZCYGRLG-JXQWACKNSA-N 0 3 365.455 2.217 20 5 FEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000600271930 673752954 /nfs/dbraw/zinc/75/29/54/673752954.db2.gz QDYPXWGBUGENLT-SNVBAGLBSA-N 0 3 361.320 2.360 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601374103 673850775 /nfs/dbraw/zinc/85/07/75/673850775.db2.gz ALDZRYBPFOUKAD-NEPJUHHUSA-N 0 3 359.473 2.070 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccsc2C(F)(F)F)c1 ZINC000601967023 673900478 /nfs/dbraw/zinc/90/04/78/673900478.db2.gz HLWMNXXFFQLYQE-JTQLQIEISA-N 0 3 350.322 2.022 20 5 FEBDHN CCS(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819211215 675270148 /nfs/dbraw/zinc/27/01/48/675270148.db2.gz WOSMKRJAXBLLFO-QGZVFWFLSA-N 0 3 364.423 2.212 20 5 FEBDHN Cc1noc(C)c1C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567690388 675313041 /nfs/dbraw/zinc/31/30/41/675313041.db2.gz AFGQWKOCGAXSBS-NSHDSACASA-N 0 3 367.427 2.194 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000825449844 675653584 /nfs/dbraw/zinc/65/35/84/675653584.db2.gz CDXFVFLTSVHGJZ-UHFFFAOYSA-N 0 3 368.865 2.314 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCc2ccccc2Cl)CC1 ZINC000981138143 680217162 /nfs/dbraw/zinc/21/71/62/680217162.db2.gz MOAIBYMCUNVKGV-GDBMZVCRSA-N 0 3 351.834 2.082 20 5 FEBDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000752072658 680221943 /nfs/dbraw/zinc/22/19/43/680221943.db2.gz JFXTXDIMCIEULZ-OLZOCXBDSA-N 0 3 353.423 2.026 20 5 FEBDHN C[C@]12CN(CC=C(Cl)Cl)C[C@@]1(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000982278432 680274528 /nfs/dbraw/zinc/27/45/28/680274528.db2.gz CNNIDXLLKUJPLI-FKGLVLAHSA-N 0 3 362.257 2.141 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CCO)c2cccs2)c1 ZINC000754380399 680352583 /nfs/dbraw/zinc/35/25/83/680352583.db2.gz CVKHOICIBOXCJZ-UKRRQHHQSA-N 0 3 352.412 2.109 20 5 FEBDHN CC([C@H](OC(=O)COCc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884393 681159419 /nfs/dbraw/zinc/15/94/19/681159419.db2.gz YVOWFLGGCOZJPR-BZNIZROVSA-N 0 3 351.334 2.026 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000776600698 681414132 /nfs/dbraw/zinc/41/41/32/681414132.db2.gz FGMFXINDDVUJPU-KBXCAEBGSA-N 0 3 350.415 2.146 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000934722920 681615846 /nfs/dbraw/zinc/61/58/46/681615846.db2.gz DPXOOKCNPHUOMM-AWEZNQCLSA-N 0 3 365.455 2.300 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000935444717 681751927 /nfs/dbraw/zinc/75/19/27/681751927.db2.gz ADZHDLMJOLGMTD-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCN(CC)C1 ZINC000850607057 681925144 /nfs/dbraw/zinc/92/51/44/681925144.db2.gz OXPCHRBLQCEKFE-LLVKDONJSA-N 0 3 368.821 2.129 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000788962176 682570336 /nfs/dbraw/zinc/57/03/36/682570336.db2.gz HOBDDICPFJGYAW-AWEZNQCLSA-N 0 3 366.395 2.031 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855897753 682723287 /nfs/dbraw/zinc/72/32/87/682723287.db2.gz GHULBUOTXJWLQQ-LBPRGKRZSA-N 0 3 350.375 2.353 20 5 FEBDHN CC([C@H](OC(=O)c1noc2c1COCC2)c1ccccc1F)[N+](=O)[O-] ZINC000857853563 682919724 /nfs/dbraw/zinc/91/97/24/682919724.db2.gz DKUYJFDERIFZGB-VFZGTOFNSA-N 0 3 350.302 2.450 20 5 FEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308591 684243673 /nfs/dbraw/zinc/24/36/73/684243673.db2.gz KTYMABSTNUIMLH-GZMMTYOYSA-N 0 3 365.814 2.100 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCOCC2)c1 ZINC000885861323 688171081 /nfs/dbraw/zinc/17/10/81/688171081.db2.gz RVGFULIHRQZQHR-ZDUSSCGKSA-N 0 3 365.455 2.300 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412363 688248573 /nfs/dbraw/zinc/24/85/73/688248573.db2.gz CYSYVXRVQFNNAM-ZDUSSCGKSA-N 0 3 353.423 2.123 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c(OC(F)F)c1 ZINC000897221365 689990164 /nfs/dbraw/zinc/99/01/64/689990164.db2.gz LYOBDLSJHQVSKL-CHWSQXEVSA-N 0 3 357.357 2.232 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979169 722100699 /nfs/dbraw/zinc/10/06/99/722100699.db2.gz HGASRGJUXSEYSE-AEFFLSMTSA-N 0 3 369.425 2.112 20 5 FEBDHN COc1cccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])N(C)C)c1 ZINC000015129025 539612516 /nfs/dbraw/zinc/61/25/16/539612516.db2.gz NXESHYIHGZDPIL-KRWDZBQOSA-N 0 3 358.398 2.417 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000028039329 539824871 /nfs/dbraw/zinc/82/48/71/539824871.db2.gz DZAWURXRMNNSPW-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1ccc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000031466812 539908387 /nfs/dbraw/zinc/90/83/87/539908387.db2.gz YXLJMITXLDWZGJ-UHFFFAOYSA-N 0 3 370.409 2.447 20 5 FEBDHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046939584 540278348 /nfs/dbraw/zinc/27/83/48/540278348.db2.gz UDJMLHZVMNCITQ-UHFFFAOYSA-N 0 3 372.425 2.255 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000052325946 540462748 /nfs/dbraw/zinc/46/27/48/540462748.db2.gz KATZHDNWMJLKQW-UHFFFAOYSA-N 0 3 350.375 2.052 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000055281216 540642899 /nfs/dbraw/zinc/64/28/99/540642899.db2.gz BLFZTLJPUNLNMM-CYBMUJFWSA-N 0 3 355.460 2.304 20 5 FEBDHN CCOC1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000060485108 541113867 /nfs/dbraw/zinc/11/38/67/541113867.db2.gz SJDLQZMGDRCFKU-UHFFFAOYSA-N 0 3 351.403 2.433 20 5 FEBDHN CN(C)CCOc1cc(CNc2ncnc3cccc([N+](=O)[O-])c32)ccn1 ZINC000541577203 541231615 /nfs/dbraw/zinc/23/16/15/541231615.db2.gz MRNXLJYVIHIGDQ-UHFFFAOYSA-N 0 3 368.397 2.486 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066601585 541343566 /nfs/dbraw/zinc/34/35/66/541343566.db2.gz CPMQUOQDXQHZAA-UHFFFAOYSA-N 0 3 371.393 2.358 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000067271528 541439403 /nfs/dbraw/zinc/43/94/03/541439403.db2.gz RPXHTHOQSAHUNY-CYBMUJFWSA-N 0 3 365.430 2.462 20 5 FEBDHN COc1ccc(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000067901702 541526936 /nfs/dbraw/zinc/52/69/36/541526936.db2.gz OIZCVNGWKACIOA-KRWDZBQOSA-N 0 3 371.437 2.435 20 5 FEBDHN Cc1nn(CCC(=O)N2CCC[C@H]2CN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000068132292 541553673 /nfs/dbraw/zinc/55/36/73/541553673.db2.gz SQVGHGCRKXIUDV-INIZCTEOSA-N 0 3 363.462 2.275 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)N(C)C)CC1 ZINC000068367691 541583218 /nfs/dbraw/zinc/58/32/18/541583218.db2.gz NUDDMXNKKDRQBV-UHFFFAOYSA-N 0 3 362.430 2.032 20 5 FEBDHN COc1cc(C(=O)N2CCCN(C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000068780761 541627290 /nfs/dbraw/zinc/62/72/90/541627290.db2.gz CDCCPMFBJIEZOT-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN CC(C)N1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469438 541688129 /nfs/dbraw/zinc/68/81/29/541688129.db2.gz XXPSNTLPOYBOOR-UHFFFAOYSA-N 0 3 350.419 2.099 20 5 FEBDHN Cc1ccc(NC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000072600659 541836748 /nfs/dbraw/zinc/83/67/48/541836748.db2.gz METDQEQBXONNRC-GOSISDBHSA-N 0 3 359.430 2.037 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072855591 541882198 /nfs/dbraw/zinc/88/21/98/541882198.db2.gz XYLPXUDPGQOQGY-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000075641217 542195290 /nfs/dbraw/zinc/19/52/90/542195290.db2.gz AFNILJCURUDGKD-INIZCTEOSA-N 0 3 350.806 2.470 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000076639675 542304066 /nfs/dbraw/zinc/30/40/66/542304066.db2.gz VSQHQVJORWHPFX-HNNXBMFYSA-N 0 3 374.441 2.222 20 5 FEBDHN CC(C)CN1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000077363317 542372895 /nfs/dbraw/zinc/37/28/95/542372895.db2.gz VBDZHCPNVVJWHQ-GOSISDBHSA-N 0 3 360.458 2.364 20 5 FEBDHN CC[C@@H]1CN(C)c2ccccc2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552114 542785841 /nfs/dbraw/zinc/78/58/41/542785841.db2.gz UJCQTDWPEXOUGM-MRXNPFEDSA-N 0 3 356.426 2.487 20 5 FEBDHN CCOc1cc(NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641111 542876926 /nfs/dbraw/zinc/87/69/26/542876926.db2.gz AEYAWBAULAAPDZ-INIZCTEOSA-N 0 3 364.446 2.348 20 5 FEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000106086460 543193115 /nfs/dbraw/zinc/19/31/15/543193115.db2.gz ISQNBSAFQNPOEL-MRXNPFEDSA-N 0 3 357.414 2.364 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891786 543252840 /nfs/dbraw/zinc/25/28/40/543252840.db2.gz SJWMLUDOTBOZOG-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111635853 543410125 /nfs/dbraw/zinc/41/01/25/543410125.db2.gz FXXDQXUAMKRADW-CYBMUJFWSA-N 0 3 358.398 2.041 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113095047 543474315 /nfs/dbraw/zinc/47/43/15/543474315.db2.gz GRQYNFYRBAXTKY-UHFFFAOYSA-N 0 3 371.441 2.223 20 5 FEBDHN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000114352279 543510758 /nfs/dbraw/zinc/51/07/58/543510758.db2.gz NRVSYERBKBLAQA-UHFFFAOYSA-N 0 3 350.375 2.369 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115586067 543576346 /nfs/dbraw/zinc/57/63/46/543576346.db2.gz NTOMMVDPKJQOCE-LLVKDONJSA-N 0 3 361.851 2.211 20 5 FEBDHN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000124934856 543851773 /nfs/dbraw/zinc/85/17/73/543851773.db2.gz YEVFPEKCILKMNC-IAQYHMDHSA-N 0 3 354.370 2.391 20 5 FEBDHN C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000124934597 543852007 /nfs/dbraw/zinc/85/20/07/543852007.db2.gz YEVFPEKCILKMNC-NHYWBVRUSA-N 0 3 354.370 2.391 20 5 FEBDHN C[C@@H]1CN(C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000130209300 544143194 /nfs/dbraw/zinc/14/31/94/544143194.db2.gz YKESPKQWEQEJHH-KHYOSLBOSA-N 0 3 363.458 2.029 20 5 FEBDHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130713620 544161981 /nfs/dbraw/zinc/16/19/81/544161981.db2.gz ZXOAPGYLVYYNJK-GASCZTMLSA-N 0 3 369.487 2.382 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000132380960 544229222 /nfs/dbraw/zinc/22/92/22/544229222.db2.gz WMGJEBHXIZQMNZ-GFCCVEGCSA-N 0 3 359.423 2.147 20 5 FEBDHN O=C(NCCN1CCCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135670453 544358061 /nfs/dbraw/zinc/35/80/61/544358061.db2.gz SXODVXNUEANHHP-UHFFFAOYSA-N 0 3 357.414 2.386 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865399 544380600 /nfs/dbraw/zinc/38/06/00/544380600.db2.gz XXKUAKIDZAGIBO-UXHICEINSA-N 0 3 371.437 2.291 20 5 FEBDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000151816635 544584107 /nfs/dbraw/zinc/58/41/07/544584107.db2.gz YAUWFLIOUQPQDN-SECBINFHSA-N 0 3 357.794 2.364 20 5 FEBDHN CCOc1ccc([C@@H](C)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152660487 544680708 /nfs/dbraw/zinc/68/07/08/544680708.db2.gz LFXVQSVRQODYQA-OAHLLOKOSA-N 0 3 350.463 2.282 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CN1C1CC1 ZINC000152988224 544719329 /nfs/dbraw/zinc/71/93/29/544719329.db2.gz BNSYYIUXFWDRIL-QWHCGFSZSA-N 0 3 355.398 2.136 20 5 FEBDHN CCCN1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000155107832 544990886 /nfs/dbraw/zinc/99/08/86/544990886.db2.gz MZWRMTJLLYXEAH-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179875788 327663198 /nfs/dbraw/zinc/66/31/98/327663198.db2.gz AEWAFZDLCWSVMF-LBPRGKRZSA-N 0 3 351.403 2.337 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179991269 327667208 /nfs/dbraw/zinc/66/72/08/327667208.db2.gz QBMJXDXOAFISHA-UHFFFAOYSA-N 0 3 357.366 2.315 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc([N+](=O)[O-])c1F ZINC000180061066 327669450 /nfs/dbraw/zinc/66/94/50/327669450.db2.gz ZRXDWVUSKRCTJQ-CYBMUJFWSA-N 0 3 371.434 2.291 20 5 FEBDHN CC(C)(C)N1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183521979 327822236 /nfs/dbraw/zinc/82/22/36/327822236.db2.gz PHVNKGXHLRDQIT-UHFFFAOYSA-N 0 3 369.487 2.320 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000187318759 328016236 /nfs/dbraw/zinc/01/62/36/328016236.db2.gz WVGQNUPVILTRLG-INIZCTEOSA-N 0 3 359.430 2.064 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000188142155 328069036 /nfs/dbraw/zinc/06/90/36/328069036.db2.gz LLKIIKKTVPNJJE-HNNXBMFYSA-N 0 3 357.414 2.447 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188621202 328099437 /nfs/dbraw/zinc/09/94/37/328099437.db2.gz SDHTWJXFKJFPLX-AWEZNQCLSA-N 0 3 362.430 2.242 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188687075 328104128 /nfs/dbraw/zinc/10/41/28/328104128.db2.gz BRBBLSZDJXEALQ-UHFFFAOYSA-N 0 3 363.377 2.314 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000191935663 328289439 /nfs/dbraw/zinc/28/94/39/328289439.db2.gz KHXVQENLYNSMID-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000192702675 328333914 /nfs/dbraw/zinc/33/39/14/328333914.db2.gz TVAQQYRLPRCMME-LBPRGKRZSA-N 0 3 351.403 2.491 20 5 FEBDHN C[C@H]1CN(C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000193772389 328394568 /nfs/dbraw/zinc/39/45/68/328394568.db2.gz XEAULKFTNPWRTG-ZDUSSCGKSA-N 0 3 364.402 2.188 20 5 FEBDHN O=[N+]([O-])c1ccc2oc(CN3CCC(CN4CCOCC4)CC3)nc2c1 ZINC000083170535 325214156 /nfs/dbraw/zinc/21/41/56/325214156.db2.gz ZMFHLKABDIIEIR-UHFFFAOYSA-N 0 3 360.414 2.280 20 5 FEBDHN COc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456483 325255426 /nfs/dbraw/zinc/25/54/26/325255426.db2.gz VHTDLWDZRJHRKB-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN O=C(CC1(N2CCOCC2)CCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000089306382 325311409 /nfs/dbraw/zinc/31/14/09/325311409.db2.gz XWOYORZHWJUZFI-UHFFFAOYSA-N 0 3 361.442 2.289 20 5 FEBDHN Cc1cc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000110014305 325681762 /nfs/dbraw/zinc/68/17/62/325681762.db2.gz VSSPMNDVPJJIMA-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC(C)(C)OC1(C)C ZINC000119729183 326192031 /nfs/dbraw/zinc/19/20/31/326192031.db2.gz UPFAPDGPOKQMGQ-AWEZNQCLSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000122443090 326397166 /nfs/dbraw/zinc/39/71/66/326397166.db2.gz INNSLAKYICPIRK-GDBMZVCRSA-N 0 3 367.471 2.316 20 5 FEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000123188375 326422829 /nfs/dbraw/zinc/42/28/29/326422829.db2.gz WHNIOVOKRCQPAN-CQSZACIVSA-N 0 3 357.414 2.337 20 5 FEBDHN COC[C@@H](O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000153770254 326742283 /nfs/dbraw/zinc/74/22/83/326742283.db2.gz AMERXZDSDFFGPN-LBPRGKRZSA-N 0 3 350.371 2.350 20 5 FEBDHN Cc1cc(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000153844679 326744545 /nfs/dbraw/zinc/74/45/45/326744545.db2.gz KHYQOSKWIAOGIX-OAHLLOKOSA-N 0 3 350.419 2.118 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCN(C3CCCC3)CC2)c1 ZINC000155520172 326791344 /nfs/dbraw/zinc/79/13/44/326791344.db2.gz SGSZDUYBBOJZJS-UHFFFAOYSA-N 0 3 367.471 2.421 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140203 327065233 /nfs/dbraw/zinc/06/52/33/327065233.db2.gz CFYAMMMPWUHJFW-SWLSCSKDSA-N 0 3 362.386 2.368 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000165467845 327078214 /nfs/dbraw/zinc/07/82/14/327078214.db2.gz ABGVPLPIXJTZHO-UHFFFAOYSA-N 0 3 363.443 2.032 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000171620024 327148671 /nfs/dbraw/zinc/14/86/71/327148671.db2.gz ZBINQPFSSZRDOG-AWEZNQCLSA-N 0 3 357.414 2.391 20 5 FEBDHN Cc1cc(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000173272561 327245600 /nfs/dbraw/zinc/24/56/00/327245600.db2.gz QCDWLSLJCZGTEW-KRWDZBQOSA-N 0 3 360.458 2.145 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173827604 327287217 /nfs/dbraw/zinc/28/72/17/327287217.db2.gz POTRJMKWTZFGRQ-QWHCGFSZSA-N 0 3 373.862 2.496 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000174695109 327344197 /nfs/dbraw/zinc/34/41/97/327344197.db2.gz KNWMWSZZDYVBCV-OLZOCXBDSA-N 0 3 363.414 2.311 20 5 FEBDHN CN1CCN([C@H]2CCCCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875446 327356931 /nfs/dbraw/zinc/35/69/31/327356931.db2.gz PSADJZOEOWOLQU-KRWDZBQOSA-N 0 3 362.474 2.076 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175004351 327367193 /nfs/dbraw/zinc/36/71/93/327367193.db2.gz YVARICPIZZZAMI-HUUCEWRRSA-N 0 3 361.398 2.080 20 5 FEBDHN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087073 327373061 /nfs/dbraw/zinc/37/30/61/327373061.db2.gz XMXQSQUUCUOSEJ-MNOVXSKESA-N 0 3 361.851 2.399 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CCN(C3CCCC3)CC2)cc1 ZINC000176936526 327485849 /nfs/dbraw/zinc/48/58/49/327485849.db2.gz ZGBIWWDEAOCKNS-UHFFFAOYSA-N 0 3 367.471 2.421 20 5 FEBDHN CC[C@H](NC(=O)NCCN(C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000267353847 329318036 /nfs/dbraw/zinc/31/80/36/329318036.db2.gz IGXRJCPLAWYKFK-INIZCTEOSA-N 0 3 352.435 2.313 20 5 FEBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156085 329391378 /nfs/dbraw/zinc/39/13/78/329391378.db2.gz HDOIUUDXJNCSJY-LKFCYVNXSA-N 0 3 362.386 2.332 20 5 FEBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269151676 329490906 /nfs/dbraw/zinc/49/09/06/329490906.db2.gz BOARSRLLHWTFSK-UHFFFAOYSA-N 0 3 361.789 2.305 20 5 FEBDHN CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271114843 329663460 /nfs/dbraw/zinc/66/34/60/329663460.db2.gz QNRVDCCDFFKNIG-MNOVXSKESA-N 0 3 361.265 2.234 20 5 FEBDHN CS[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271609751 329707480 /nfs/dbraw/zinc/70/74/80/329707480.db2.gz KBQZAPHZYMHEAB-GHMZBOCLSA-N 0 3 361.265 2.234 20 5 FEBDHN Cc1c(C(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000275969387 330107524 /nfs/dbraw/zinc/10/75/24/330107524.db2.gz LNNGDWJNKHFSOF-UHFFFAOYSA-N 0 3 350.375 2.334 20 5 FEBDHN Cc1c(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000480053941 561202053 /nfs/dbraw/zinc/20/20/53/561202053.db2.gz NSUXQZIGUJCQSQ-MRXNPFEDSA-N 0 3 364.446 2.155 20 5 FEBDHN O=C(C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc21 ZINC000176218222 546420497 /nfs/dbraw/zinc/42/04/97/546420497.db2.gz DKWTWFFGFHGYHT-UHFFFAOYSA-N 0 3 369.425 2.093 20 5 FEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000480736361 561215587 /nfs/dbraw/zinc/21/55/87/561215587.db2.gz MVUNZRWDLGIRPE-GFCCVEGCSA-N 0 3 366.443 2.152 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177769285 546683243 /nfs/dbraw/zinc/68/32/43/546683243.db2.gz GNNYNJYMMUDOMZ-WBVHZDCISA-N 0 3 369.425 2.479 20 5 FEBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425762 561232634 /nfs/dbraw/zinc/23/26/34/561232634.db2.gz LOXZHQJGEMZMJQ-KFNAQCHYSA-N 0 3 368.821 2.171 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000178944525 546877490 /nfs/dbraw/zinc/87/74/90/546877490.db2.gz ZRBQSYSJSDZYCU-GJZGRUSLSA-N 0 3 369.487 2.177 20 5 FEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000481851038 561244037 /nfs/dbraw/zinc/24/40/37/561244037.db2.gz HQKWWQVCLZIASO-DOTOQJQBSA-N 0 3 354.410 2.221 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862757 547022366 /nfs/dbraw/zinc/02/23/66/547022366.db2.gz LDXHJCCHBOIFLR-NWDGAFQWSA-N 0 3 351.403 2.335 20 5 FEBDHN CC[C@H]1Oc2cc([C@@H](C)NCCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004631 547037424 /nfs/dbraw/zinc/03/74/24/547037424.db2.gz XJNAHBSTVSSLGG-IAQYHMDHSA-N 0 3 359.386 2.252 20 5 FEBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000181032527 547234654 /nfs/dbraw/zinc/23/46/54/547234654.db2.gz KNPQUALFXPKYIL-UHFFFAOYSA-N 0 3 361.423 2.272 20 5 FEBDHN CN(CCOc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190753 547450653 /nfs/dbraw/zinc/45/06/53/547450653.db2.gz FRFHGGTZEQIIEA-AWEZNQCLSA-N 0 3 364.373 2.484 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000483727025 561282841 /nfs/dbraw/zinc/28/28/41/561282841.db2.gz NFHQUTCFCMZTPH-SGIREYDYSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000183297983 547635423 /nfs/dbraw/zinc/63/54/23/547635423.db2.gz WPYSEGWYDWDWIR-CYBMUJFWSA-N 0 3 355.460 2.446 20 5 FEBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000183934567 547740992 /nfs/dbraw/zinc/74/09/92/547740992.db2.gz XZEVNFGYAMAUJS-UHFFFAOYSA-N 0 3 373.409 2.431 20 5 FEBDHN COc1cc(CN2CCC(N3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184250518 547795035 /nfs/dbraw/zinc/79/50/35/547795035.db2.gz UTCBQRSRXZZNKH-CYBMUJFWSA-N 0 3 367.421 2.428 20 5 FEBDHN CCOC(=O)c1cc(N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827210 547884219 /nfs/dbraw/zinc/88/42/19/547884219.db2.gz BZSSOYKSENUFJU-AWEZNQCLSA-N 0 3 364.446 2.209 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000184913782 547899419 /nfs/dbraw/zinc/89/94/19/547899419.db2.gz OQMCGUCTGBTBCI-IINYFYTJSA-N 0 3 359.423 2.003 20 5 FEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185447366 547986494 /nfs/dbraw/zinc/98/64/94/547986494.db2.gz OKHPTNGESJZZQP-GFCCVEGCSA-N 0 3 366.443 2.152 20 5 FEBDHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185979344 548068200 /nfs/dbraw/zinc/06/82/00/548068200.db2.gz SRSKNFHPHADHTF-AWEZNQCLSA-N 0 3 355.460 2.241 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186663819 548169048 /nfs/dbraw/zinc/16/90/48/548169048.db2.gz VCABILPBSGEKOD-CYBMUJFWSA-N 0 3 362.430 2.222 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000193947512 548412504 /nfs/dbraw/zinc/41/25/04/548412504.db2.gz BUSJWHSCWYBSIQ-ZDUSSCGKSA-N 0 3 350.419 2.277 20 5 FEBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)CC1 ZINC000217657274 548682466 /nfs/dbraw/zinc/68/24/66/548682466.db2.gz BQHHICMXGIFDMS-UHFFFAOYSA-N 0 3 370.400 2.412 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053177 561382455 /nfs/dbraw/zinc/38/24/55/561382455.db2.gz DCQKOZGTLIYPOU-OAHLLOKOSA-N 0 3 357.458 2.250 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246065355 549044821 /nfs/dbraw/zinc/04/48/21/549044821.db2.gz DPTKRTHNMONDTQ-ZFWWWQNUSA-N 0 3 355.460 2.254 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247170875 549293990 /nfs/dbraw/zinc/29/39/90/549293990.db2.gz ASZBMNZFCDRGQW-UKRRQHHQSA-N 0 3 357.414 2.193 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000249188954 549567241 /nfs/dbraw/zinc/56/72/41/549567241.db2.gz OWCQQJWPRGSMBM-GJZGRUSLSA-N 0 3 369.487 2.177 20 5 FEBDHN COc1cc(OCC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000250150572 549638185 /nfs/dbraw/zinc/63/81/85/549638185.db2.gz WWCBLXYEEOCTCZ-KGLIPLIRSA-N 0 3 365.430 2.219 20 5 FEBDHN Cc1sc(C(=O)NCC2(N3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000264196487 549991193 /nfs/dbraw/zinc/99/11/93/549991193.db2.gz CZXGHPGMOZZZQD-UHFFFAOYSA-N 0 3 353.444 2.340 20 5 FEBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(CN2CCCCC2)c1 ZINC000269667800 550215183 /nfs/dbraw/zinc/21/51/83/550215183.db2.gz YJKSXFSVGRHJBD-UHFFFAOYSA-N 0 3 370.409 2.381 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328714 550438133 /nfs/dbraw/zinc/43/81/33/550438133.db2.gz LAHOKGBJXDGEJT-GWCFXTLKSA-N 0 3 361.427 2.156 20 5 FEBDHN COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000272452595 550449510 /nfs/dbraw/zinc/44/95/10/550449510.db2.gz MVWFHBZIGSFDNB-LSDHHAIUSA-N 0 3 362.430 2.229 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272590508 550459434 /nfs/dbraw/zinc/45/94/34/550459434.db2.gz ZSUXMYMXQRLIDL-UHFFFAOYSA-N 0 3 369.487 2.272 20 5 FEBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000273362426 550495558 /nfs/dbraw/zinc/49/55/58/550495558.db2.gz QTGZKXZEPQOZMG-IRXDYDNUSA-N 0 3 360.410 2.390 20 5 FEBDHN COc1cc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000273407425 550497330 /nfs/dbraw/zinc/49/73/30/550497330.db2.gz XDWZOHDFJIBHSN-CQSZACIVSA-N 0 3 362.382 2.181 20 5 FEBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000276859718 550603974 /nfs/dbraw/zinc/60/39/74/550603974.db2.gz BCKZFMJUUZYZHK-UHFFFAOYSA-N 0 3 355.460 2.277 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000278494097 550792230 /nfs/dbraw/zinc/79/22/30/550792230.db2.gz MNXGWTHIWUZFCQ-LQYUOIDQSA-N 0 3 359.426 2.320 20 5 FEBDHN COCCCN(C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279048586 550850754 /nfs/dbraw/zinc/85/07/54/550850754.db2.gz AYFQCPDTLKFTMJ-UHFFFAOYSA-N 0 3 361.801 2.014 20 5 FEBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000279133845 550857630 /nfs/dbraw/zinc/85/76/30/550857630.db2.gz WOIKEQHVGVXCJD-JKSUJKDBSA-N 0 3 351.403 2.015 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CN1C1CC1 ZINC000279367794 550882215 /nfs/dbraw/zinc/88/22/15/550882215.db2.gz GQNPVIXWTSRQPC-QWRGUYRKSA-N 0 3 350.394 2.155 20 5 FEBDHN C[C@H](CN1CCOCC1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279664804 550914232 /nfs/dbraw/zinc/91/42/32/550914232.db2.gz DGBMRAHWCUMUBF-OAHLLOKOSA-N 0 3 374.441 2.445 20 5 FEBDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000281485569 551103588 /nfs/dbraw/zinc/10/35/88/551103588.db2.gz JZNHHWIFJXHVSE-UHFFFAOYSA-N 0 3 361.851 2.355 20 5 FEBDHN COc1cc(C(=O)Nc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000497714824 561506901 /nfs/dbraw/zinc/50/69/01/561506901.db2.gz TYIXCRNLYMKDLA-UHFFFAOYSA-N 0 3 360.370 2.191 20 5 FEBDHN CN1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801936 561509228 /nfs/dbraw/zinc/50/92/28/561509228.db2.gz DZUDCVXMJGIVTM-WBVHZDCISA-N 0 3 365.393 2.299 20 5 FEBDHN Cc1cc(F)c(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000283672144 551406820 /nfs/dbraw/zinc/40/68/20/551406820.db2.gz DZPNWFKSWTYHBS-GFCCVEGCSA-N 0 3 367.425 2.047 20 5 FEBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000498018564 561513921 /nfs/dbraw/zinc/51/39/21/561513921.db2.gz GPSBYKQYKQVAHE-NVXWUHKLSA-N 0 3 371.441 2.475 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000284100086 551483598 /nfs/dbraw/zinc/48/35/98/551483598.db2.gz SFYOCKVSJMMPHN-SNVBAGLBSA-N 0 3 356.220 2.347 20 5 FEBDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000285256662 551727472 /nfs/dbraw/zinc/72/74/72/551727472.db2.gz XABHGRALVYMFEX-LLVKDONJSA-N 0 3 367.402 2.109 20 5 FEBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285319295 551737305 /nfs/dbraw/zinc/73/73/05/551737305.db2.gz RDMKOXGZWQUQPF-TVKHYIBRSA-N 0 3 365.817 2.193 20 5 FEBDHN CCC[C@@]1(NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CCOC1 ZINC000285424200 551754258 /nfs/dbraw/zinc/75/42/58/551754258.db2.gz DVFRTQWSZQSYPW-QGZVFWFLSA-N 0 3 351.403 2.481 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285663662 551791939 /nfs/dbraw/zinc/79/19/39/551791939.db2.gz PXFZRLPWBPZDBR-PBWFPOADSA-N 0 3 353.444 2.149 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCSC1 ZINC000286555168 551899507 /nfs/dbraw/zinc/89/95/07/551899507.db2.gz DLHHJFPIEUWPFS-QGZVFWFLSA-N 0 3 366.487 2.216 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000286618776 551906830 /nfs/dbraw/zinc/90/68/30/551906830.db2.gz HWPPWANSNFLWSS-ZFWWWQNUSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066349 551959182 /nfs/dbraw/zinc/95/91/82/551959182.db2.gz JXPXVTRBGIMJKY-IUODEOHRSA-N 0 3 364.421 2.499 20 5 FEBDHN COc1ccc(C[C@H](CO)CNCc2csc([N+](=O)[O-])c2)cc1O ZINC000289508623 552332973 /nfs/dbraw/zinc/33/29/73/552332973.db2.gz UMQWPSJSZVMEGF-LBPRGKRZSA-N 0 3 352.412 2.311 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289940233 552402677 /nfs/dbraw/zinc/40/26/77/552402677.db2.gz CNIZOWZATJLTOR-LLVKDONJSA-N 0 3 370.837 2.423 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292916076 552770950 /nfs/dbraw/zinc/77/09/50/552770950.db2.gz XNKQIGOKSWGYIZ-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000293457284 552825829 /nfs/dbraw/zinc/82/58/29/552825829.db2.gz TYIFGENYISYJOK-LJQANCHMSA-N 0 3 374.441 2.094 20 5 FEBDHN COc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])cc1OC ZINC000294327087 552897417 /nfs/dbraw/zinc/89/74/17/552897417.db2.gz XGXFZIXHPFKLIX-GOSISDBHSA-N 0 3 363.414 2.170 20 5 FEBDHN CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)N(C)C1 ZINC000502463189 561619052 /nfs/dbraw/zinc/61/90/52/561619052.db2.gz DMCGVSROOMFARU-KBPBESRZSA-N 0 3 370.837 2.109 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025660 553373236 /nfs/dbraw/zinc/37/32/36/553373236.db2.gz DVHRRTAMXQWYTQ-GXTWGEPZSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000503477771 561642395 /nfs/dbraw/zinc/64/23/95/561642395.db2.gz NHZCCLZKUNPCGD-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN C[C@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524839 553435962 /nfs/dbraw/zinc/43/59/62/553435962.db2.gz VZZAMCAMFDSMKL-ACJLOTCBSA-N 0 3 370.409 2.171 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113346 553517353 /nfs/dbraw/zinc/51/73/53/553517353.db2.gz ZDRMXGGLAYCDLY-QWHCGFSZSA-N 0 3 363.414 2.216 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299329289 553548599 /nfs/dbraw/zinc/54/85/99/553548599.db2.gz YXEZZAXZSHSMTH-VIFPVBQESA-N 0 3 359.329 2.029 20 5 FEBDHN COc1cc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000504010979 561651898 /nfs/dbraw/zinc/65/18/98/561651898.db2.gz QGMMVMBQXWDKPM-UHFFFAOYSA-N 0 3 373.475 2.343 20 5 FEBDHN COc1ccccc1[C@@H](CNC(=O)c1[n-]nc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000299456494 553565980 /nfs/dbraw/zinc/56/59/80/553565980.db2.gz WEHHOMUANFEVQM-CQSZACIVSA-N 0 3 373.413 2.202 20 5 FEBDHN Nc1nc(N2CCCN(CCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301171248 553627893 /nfs/dbraw/zinc/62/78/93/553627893.db2.gz XEDIOEBWDPEWHO-UHFFFAOYSA-N 0 3 356.430 2.112 20 5 FEBDHN Cc1nn(C)c(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549006 553660372 /nfs/dbraw/zinc/66/03/72/553660372.db2.gz LTGIAMPOSYJJSX-KBPBESRZSA-N 0 3 365.478 2.352 20 5 FEBDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302386662 553715773 /nfs/dbraw/zinc/71/57/73/553715773.db2.gz ATFYTKJDAKVNMZ-CYBMUJFWSA-N 0 3 364.475 2.360 20 5 FEBDHN Cc1cc(N2CCN(C[C@@H](C)O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437112 553716703 /nfs/dbraw/zinc/71/67/03/553716703.db2.gz MMABKGSWFIOKBT-LSDHHAIUSA-N 0 3 371.441 2.252 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000326823488 553783378 /nfs/dbraw/zinc/78/33/78/553783378.db2.gz YICSJNVIQLPBEM-HNNXBMFYSA-N 0 3 373.862 2.273 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000330757224 554167719 /nfs/dbraw/zinc/16/77/19/554167719.db2.gz HWADPRKOEBPYQS-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000331129624 554218276 /nfs/dbraw/zinc/21/82/76/554218276.db2.gz RYJMOHCLYMFSGU-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572361 554474281 /nfs/dbraw/zinc/47/42/81/554474281.db2.gz DTNWCQWBJCPCIM-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000360911885 554894760 /nfs/dbraw/zinc/89/47/60/554894760.db2.gz HKWHTMPXWLJHPT-UHFFFAOYSA-N 0 3 359.473 2.342 20 5 FEBDHN CC(C)c1nccn1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178782 554908151 /nfs/dbraw/zinc/90/81/51/554908151.db2.gz GYTUSUKZYOYGDH-HNNXBMFYSA-N 0 3 359.430 2.414 20 5 FEBDHN Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000362813971 554990533 /nfs/dbraw/zinc/99/05/33/554990533.db2.gz ZRBTYBYCNQGMGC-HOTGVXAUSA-N 0 3 362.430 2.356 20 5 FEBDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263707 555067299 /nfs/dbraw/zinc/06/72/99/555067299.db2.gz AMKBXRQAQQJHTH-VMGRFDJRSA-N 0 3 369.425 2.094 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(CCc2ccncc2)CC1 ZINC000363629480 555150366 /nfs/dbraw/zinc/15/03/66/555150366.db2.gz ZOZRUKHZHPGAMF-UHFFFAOYSA-N 0 3 358.398 2.362 20 5 FEBDHN CCCN1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000363645557 555153969 /nfs/dbraw/zinc/15/39/69/555153969.db2.gz QFJUGHRSCBHHOL-UHFFFAOYSA-N 0 3 372.429 2.042 20 5 FEBDHN Cc1c(NC(=O)N2CCC[C@@H]2CN2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000364145325 555258516 /nfs/dbraw/zinc/25/85/16/555258516.db2.gz XJFGEWUUJKRESU-CABCVRRESA-N 0 3 362.430 2.356 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000364163303 555261201 /nfs/dbraw/zinc/26/12/01/555261201.db2.gz WUCIGJOHTGLHDA-UHFFFAOYSA-N 0 3 355.822 2.167 20 5 FEBDHN N[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000364204465 555269039 /nfs/dbraw/zinc/26/90/39/555269039.db2.gz KWHZOOVOXRBGMQ-IRXDYDNUSA-N 0 3 359.357 2.066 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000365028477 555468502 /nfs/dbraw/zinc/46/85/02/555468502.db2.gz CXRIPCRVQOBZEA-CYBMUJFWSA-N 0 3 350.419 2.132 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCCN1S(C)(=O)=O ZINC000513007922 561922511 /nfs/dbraw/zinc/92/25/11/561922511.db2.gz YNOXCGWQPXGYKI-SHRNQRGKSA-N 0 3 367.471 2.402 20 5 FEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCN(C2CCOCC2)CC1 ZINC000365398060 555564578 /nfs/dbraw/zinc/56/45/78/555564578.db2.gz HOAYAPDOPSDQPJ-UHFFFAOYSA-N 0 3 351.378 2.061 20 5 FEBDHN CSc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366561492 555876180 /nfs/dbraw/zinc/87/61/80/555876180.db2.gz BNUZNSMEDTUCMV-CQSZACIVSA-N 0 3 365.455 2.300 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000366681830 555907738 /nfs/dbraw/zinc/90/77/38/555907738.db2.gz JJEIQDVECRSGEH-UHFFFAOYSA-N 0 3 355.822 2.167 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000367809335 556144511 /nfs/dbraw/zinc/14/45/11/556144511.db2.gz FEYWYIJGXFNJPL-CVEARBPZSA-N 0 3 369.425 2.207 20 5 FEBDHN COc1ccc2cc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000515637080 562017797 /nfs/dbraw/zinc/01/77/97/562017797.db2.gz BYCDLNKUIUYDOU-QGZVFWFLSA-N 0 3 356.382 2.104 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369311655 556571910 /nfs/dbraw/zinc/57/19/10/556571910.db2.gz XWXJUKUCXSZVNM-YOCVDRLZSA-N 0 3 372.469 2.094 20 5 FEBDHN CN(C)[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679346 562054116 /nfs/dbraw/zinc/05/41/16/562054116.db2.gz QIJATOFKKHVSTR-ZFWWWQNUSA-N 0 3 365.455 2.289 20 5 FEBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516875679 562062232 /nfs/dbraw/zinc/06/22/32/562062232.db2.gz VJZPXSWKXKLMLU-QGZVFWFLSA-N 0 3 374.441 2.160 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370423068 556868895 /nfs/dbraw/zinc/86/88/95/556868895.db2.gz JYGFICFNVHNGCA-INIZCTEOSA-N 0 3 360.458 2.144 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227276 557112460 /nfs/dbraw/zinc/11/24/60/557112460.db2.gz CIQQXWVPVXUXBJ-XHDPSFHLSA-N 0 3 363.805 2.394 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227276 557112461 /nfs/dbraw/zinc/11/24/61/557112461.db2.gz CIQQXWVPVXUXBJ-XHDPSFHLSA-N 0 3 363.805 2.394 20 5 FEBDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336586 557151622 /nfs/dbraw/zinc/15/16/22/557151622.db2.gz RVHVUXYQHNIRAE-NVXWUHKLSA-N 0 3 360.414 2.295 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000371546761 557216773 /nfs/dbraw/zinc/21/67/73/557216773.db2.gz OCOFFPDQKZKLOO-RDTXWAMCSA-N 0 3 358.442 2.361 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000371872488 557316075 /nfs/dbraw/zinc/31/60/75/557316075.db2.gz LJBZDGBVKULINL-INIZCTEOSA-N 0 3 360.414 2.010 20 5 FEBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CN2CCC1CC2 ZINC000518431722 562111471 /nfs/dbraw/zinc/11/14/71/562111471.db2.gz ILLPSMDYBNFQKN-LJQANCHMSA-N 0 3 372.469 2.364 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000518607513 562115200 /nfs/dbraw/zinc/11/52/00/562115200.db2.gz DDGKBDQEAQULJK-IVMMDQJWSA-N 0 3 365.405 2.479 20 5 FEBDHN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000518957482 562121847 /nfs/dbraw/zinc/12/18/47/562121847.db2.gz HTRKORSJPDZUFQ-QGZVFWFLSA-N 0 3 355.398 2.089 20 5 FEBDHN CC(C)[C@H]1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034996 562123763 /nfs/dbraw/zinc/12/37/63/562123763.db2.gz IPOCOYJLKYHJSW-RHSMWYFYSA-N 0 3 370.471 2.409 20 5 FEBDHN Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000372353600 557447905 /nfs/dbraw/zinc/44/79/05/557447905.db2.gz ANWPTHJVBCYKOH-RDJZCZTQSA-N 0 3 360.458 2.001 20 5 FEBDHN CN1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372403337 557461922 /nfs/dbraw/zinc/46/19/22/557461922.db2.gz GLUBFNAVYQLHIR-LPHOPBHVSA-N 0 3 354.410 2.342 20 5 FEBDHN Cc1nc(-c2ccccc2)sc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519545774 562134356 /nfs/dbraw/zinc/13/43/56/562134356.db2.gz YJSSICCABTUWHA-OAHLLOKOSA-N 0 3 373.438 2.374 20 5 FEBDHN CN1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000372842248 557573420 /nfs/dbraw/zinc/57/34/20/557573420.db2.gz VWDNCDNHTGEVRW-BDJLRTHQSA-N 0 3 358.427 2.804 20 5 FEBDHN CN1CCN(CC2(C)CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CC1 ZINC000373044235 557615874 /nfs/dbraw/zinc/61/58/74/557615874.db2.gz FNZWKUJWGBQGED-UHFFFAOYSA-N 0 3 373.501 2.417 20 5 FEBDHN O=C1O[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1c1ccccc1 ZINC000373296179 557667582 /nfs/dbraw/zinc/66/75/82/557667582.db2.gz ZGTFUFNNKHNIKX-MRXNPFEDSA-N 0 3 371.397 2.454 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000373747253 557750718 /nfs/dbraw/zinc/75/07/18/557750718.db2.gz TZFKXOZGEJQTDU-CQSZACIVSA-N 0 3 350.419 2.132 20 5 FEBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000373992153 557803147 /nfs/dbraw/zinc/80/31/47/557803147.db2.gz KGQGOZUNQGJUEV-UHFFFAOYSA-N 0 3 354.410 2.427 20 5 FEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374315860 557864035 /nfs/dbraw/zinc/86/40/35/557864035.db2.gz ZTSHPEASARICOT-DOTOQJQBSA-N 0 3 373.384 2.327 20 5 FEBDHN CCc1nc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000521227724 562172307 /nfs/dbraw/zinc/17/23/07/562172307.db2.gz ZLBZNDUYSCIXAW-AWEZNQCLSA-N 0 3 351.428 2.186 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1SC ZINC000375066554 557972895 /nfs/dbraw/zinc/97/28/95/557972895.db2.gz RWPQNRNQCBVEQR-BXUZGUMPSA-N 0 3 365.455 2.492 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623730 558058183 /nfs/dbraw/zinc/05/81/83/558058183.db2.gz LBDUIYTUVZBSJW-GOEBONIOSA-N 0 3 367.471 2.026 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC(F)F ZINC000375902043 558096101 /nfs/dbraw/zinc/09/61/01/558096101.db2.gz DZHPFZUHFWQCJI-OCCSQVGLSA-N 0 3 357.357 2.232 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376079163 558123991 /nfs/dbraw/zinc/12/39/91/558123991.db2.gz FTQIYELZEMQCOU-CQSZACIVSA-N 0 3 364.450 2.012 20 5 FEBDHN O=C1CC[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]([C@@H]2CCCO2)N1 ZINC000377727194 558406392 /nfs/dbraw/zinc/40/63/92/558406392.db2.gz RGPBLFNLFCHCIM-NOLJZWGESA-N 0 3 353.806 2.164 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000377780530 558418402 /nfs/dbraw/zinc/41/84/02/558418402.db2.gz QKBJINJBGPZVOV-AWEZNQCLSA-N 0 3 373.413 2.384 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4nc[nH]n4)C3)n2)c1 ZINC000378008589 558462164 /nfs/dbraw/zinc/46/21/64/558462164.db2.gz XQEWCKXRTFCTSS-LBPRGKRZSA-N 0 3 355.358 2.143 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303265 558524629 /nfs/dbraw/zinc/52/46/29/558524629.db2.gz CIPSJWACQMXROL-IRXDYDNUSA-N 0 3 371.441 2.012 20 5 FEBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397514690 558624367 /nfs/dbraw/zinc/62/43/67/558624367.db2.gz RLVNGXMAQJKONY-UHFFFAOYSA-N 0 3 369.421 2.352 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000524719280 562233033 /nfs/dbraw/zinc/23/30/33/562233033.db2.gz AUWMQLJMAAEINZ-ZDUSSCGKSA-N 0 3 357.414 2.067 20 5 FEBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000411616965 558929816 /nfs/dbraw/zinc/92/98/16/558929816.db2.gz GCTQMGLQBYZVPF-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411907961 558986241 /nfs/dbraw/zinc/98/62/41/558986241.db2.gz CNQGTINLFIMATI-YQVWRLOYSA-N 0 3 358.394 2.142 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412086143 559011652 /nfs/dbraw/zinc/01/16/52/559011652.db2.gz BDLIDPVMFZOVAX-GFCCVEGCSA-N 0 3 353.394 2.276 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412119815 559015477 /nfs/dbraw/zinc/01/54/77/559015477.db2.gz CZLQVXJLHYOROF-OKZBNKHCSA-N 0 3 361.442 2.268 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000413896365 559137871 /nfs/dbraw/zinc/13/78/71/559137871.db2.gz BYDXWGJLWCXEJJ-UHFFFAOYSA-N 0 3 365.365 2.212 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000414294833 559155173 /nfs/dbraw/zinc/15/51/73/559155173.db2.gz FCOVNOLHBFKACM-YVLXSGLVSA-N 0 3 357.357 2.450 20 5 FEBDHN COc1cc(C(=O)NCC2(N(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000416292613 559302999 /nfs/dbraw/zinc/30/29/99/559302999.db2.gz ROWULZLSJXHFME-UHFFFAOYSA-N 0 3 359.329 2.029 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000527279385 562283560 /nfs/dbraw/zinc/28/35/60/562283560.db2.gz ATVKSNUSRSZYJI-CQSZACIVSA-N 0 3 370.409 2.451 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000416661668 559328375 /nfs/dbraw/zinc/32/83/75/559328375.db2.gz NBYINUCCIAGUAQ-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1c(CNC(=O)NCCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000418081368 559389496 /nfs/dbraw/zinc/38/94/96/559389496.db2.gz NWMTUOGYIYRBQO-UHFFFAOYSA-N 0 3 357.414 2.277 20 5 FEBDHN O=C(N[C@H]1CNCCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418747221 559413838 /nfs/dbraw/zinc/41/38/38/559413838.db2.gz AGISSDDAHRFSQH-AWEZNQCLSA-N 0 3 354.357 2.266 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(OC3CCC3)CC2)c1 ZINC000419292722 559435520 /nfs/dbraw/zinc/43/55/20/559435520.db2.gz ZDYIWSOIEXWANW-HNNXBMFYSA-N 0 3 350.415 2.368 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OC2CCC2)CC1 ZINC000419294239 559435650 /nfs/dbraw/zinc/43/56/50/559435650.db2.gz BABFVPKNHGRTHA-CQSZACIVSA-N 0 3 350.415 2.368 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420467435 559489104 /nfs/dbraw/zinc/48/91/04/559489104.db2.gz SIZZAIUCWSKMRY-QGZVFWFLSA-N 0 3 363.439 2.277 20 5 FEBDHN COC1([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000421037157 559521292 /nfs/dbraw/zinc/52/12/92/559521292.db2.gz RLYDAYUHGRPJKW-LLVKDONJSA-N 0 3 371.821 2.360 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)cc1OC ZINC000421707180 559550226 /nfs/dbraw/zinc/55/02/26/559550226.db2.gz WSOAGVKXUDZUOC-GFCCVEGCSA-N 0 3 351.403 2.168 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424038121 559652126 /nfs/dbraw/zinc/65/21/26/559652126.db2.gz LIMTUFOZSLYKRL-DZGCQCFKSA-N 0 3 359.357 2.309 20 5 FEBDHN N[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424039069 559652205 /nfs/dbraw/zinc/65/22/05/559652205.db2.gz NDOVNQSTDMQCGS-GOEBONIOSA-N 0 3 372.400 2.489 20 5 FEBDHN NC(=O)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000425279770 559694711 /nfs/dbraw/zinc/69/47/11/559694711.db2.gz VQZUBLUZFLHWRQ-QFBILLFUSA-N 0 3 366.421 2.404 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000426879812 559743580 /nfs/dbraw/zinc/74/35/80/559743580.db2.gz WHQJERYOGYDMLE-ZDUSSCGKSA-N 0 3 365.411 2.210 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428548128 559777868 /nfs/dbraw/zinc/77/78/68/559777868.db2.gz NQEYFWUEIDMILP-SFHVURJKSA-N 0 3 355.394 2.343 20 5 FEBDHN COc1cccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428551206 559778025 /nfs/dbraw/zinc/77/80/25/559778025.db2.gz KAAJYLQNEBLGKP-HNNXBMFYSA-N 0 3 371.393 2.422 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1NCC(=O)NCCN1CCCCCC1 ZINC000431493457 559840334 /nfs/dbraw/zinc/84/03/34/559840334.db2.gz BRYVBCGRHANAPR-UHFFFAOYSA-N 0 3 364.446 2.145 20 5 FEBDHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cnn(C)c1 ZINC000433308705 559876535 /nfs/dbraw/zinc/87/65/35/559876535.db2.gz YSONFQKBJRZPDL-SUMWQHHRSA-N 0 3 374.445 2.202 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433559703 559884158 /nfs/dbraw/zinc/88/41/58/559884158.db2.gz UJVVWANEGORFCK-INIZCTEOSA-N 0 3 362.430 2.420 20 5 FEBDHN CCOC(=O)Cn1nc(C)c(CNCCc2cccc([N+](=O)[O-])c2)c1C ZINC000437788999 559969642 /nfs/dbraw/zinc/96/96/42/559969642.db2.gz PTJBPMKAODVIIS-UHFFFAOYSA-N 0 3 360.414 2.304 20 5 FEBDHN CCOC(=O)[C@@]1(COC)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000439478803 559995199 /nfs/dbraw/zinc/99/51/99/559995199.db2.gz ODNAYIWWPPMOLI-SFHVURJKSA-N 0 3 350.415 2.429 20 5 FEBDHN CC(C)[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000447803947 560169488 /nfs/dbraw/zinc/16/94/88/560169488.db2.gz CKLGRBNWJLPJKQ-LJQANCHMSA-N 0 3 362.474 2.203 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000449319498 560225091 /nfs/dbraw/zinc/22/50/91/560225091.db2.gz KCYAINSZUQDOEO-SWLSCSKDSA-N 0 3 361.364 2.379 20 5 FEBDHN CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000449533679 560233059 /nfs/dbraw/zinc/23/30/59/560233059.db2.gz BMRVDOBYBPWWFU-QPUJVOFHSA-N 0 3 364.183 2.448 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931148 560245651 /nfs/dbraw/zinc/24/56/51/560245651.db2.gz NWWPSJHCIVUFDP-HIFRSBDPSA-N 0 3 357.414 2.193 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC000451480820 560309573 /nfs/dbraw/zinc/30/95/73/560309573.db2.gz RGBSKUMGLHFNGH-QGTPRVQTSA-N 0 3 359.426 2.277 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]21 ZINC000451482696 560309765 /nfs/dbraw/zinc/30/97/65/560309765.db2.gz WRESJEOOCHBSHH-ZTFGCOKTSA-N 0 3 359.426 2.277 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451487018 560309993 /nfs/dbraw/zinc/30/99/93/560309993.db2.gz KSOAMSGRCTZZOT-RHSMWYFYSA-N 0 3 351.403 2.335 20 5 FEBDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734539 560325604 /nfs/dbraw/zinc/32/56/04/560325604.db2.gz WYRNEDBGKWEBKU-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN CCn1cc([C@@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000451890966 560335042 /nfs/dbraw/zinc/33/50/42/560335042.db2.gz RMCWJKSINYPTEL-GFCCVEGCSA-N 0 3 359.386 2.460 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451920870 560337354 /nfs/dbraw/zinc/33/73/54/560337354.db2.gz YIQLIAHMIGEHHZ-HOTGVXAUSA-N 0 3 360.458 2.251 20 5 FEBDHN CCN1CCN(CC(C)(C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000451985222 560342615 /nfs/dbraw/zinc/34/26/15/560342615.db2.gz MFWWWCSKKLSTPK-UHFFFAOYSA-N 0 3 368.453 2.248 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452786253 560373982 /nfs/dbraw/zinc/37/39/82/560373982.db2.gz XFHDFKSUEVCCRA-ZDUSSCGKSA-N 0 3 355.822 2.133 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452983041 560379978 /nfs/dbraw/zinc/37/99/78/560379978.db2.gz YUJQOHJVQMYCJY-SWLSCSKDSA-N 0 3 365.455 2.109 20 5 FEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453045689 560382404 /nfs/dbraw/zinc/38/24/04/560382404.db2.gz ZIOFGMPYGPAZFV-UHIISALHSA-N 0 3 353.806 2.178 20 5 FEBDHN CNc1nc(C(=O)NCC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000455985397 560503500 /nfs/dbraw/zinc/50/35/00/560503500.db2.gz ALRBRSORWAERFF-UHFFFAOYSA-N 0 3 370.413 2.073 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456316472 560515056 /nfs/dbraw/zinc/51/50/56/560515056.db2.gz AFECTYJRGVJQGA-OAHLLOKOSA-N 0 3 371.441 2.080 20 5 FEBDHN CCN1CCN(CC(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000456908984 560537208 /nfs/dbraw/zinc/53/72/08/560537208.db2.gz YHTOYVZXWJUMNP-UHFFFAOYSA-N 0 3 373.457 2.222 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000458499510 560627589 /nfs/dbraw/zinc/62/75/89/560627589.db2.gz JWABSENFBVXSKH-GDBMZVCRSA-N 0 3 364.446 2.110 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000459674108 560701494 /nfs/dbraw/zinc/70/14/94/560701494.db2.gz BOXMPZRRRKJDKK-BONVTDFDSA-N 0 3 352.774 2.293 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459767610 560707263 /nfs/dbraw/zinc/70/72/63/560707263.db2.gz ANUHJRPOIZKHEB-NZSAHSFTSA-N 0 3 364.442 2.208 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000468468159 560930551 /nfs/dbraw/zinc/93/05/51/560930551.db2.gz QMROJCAWQVBWND-INIZCTEOSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470141784 560975182 /nfs/dbraw/zinc/97/51/82/560975182.db2.gz LJFXCACEGUTAEU-LBPRGKRZSA-N 0 3 366.393 2.451 20 5 FEBDHN COc1ccc(NC(=O)CCN[C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473178211 561043579 /nfs/dbraw/zinc/04/35/79/561043579.db2.gz PZYCEQDTWGYZOG-AWEZNQCLSA-N 0 3 365.411 2.317 20 5 FEBDHN CCN1CCCC[C@H]1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358414 561072068 /nfs/dbraw/zinc/07/20/68/561072068.db2.gz VRXVSQAFJDJOFA-HNNXBMFYSA-N 0 3 365.430 2.111 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370626 561072416 /nfs/dbraw/zinc/07/24/16/561072416.db2.gz LAAANFOSCCYNAR-LSDHHAIUSA-N 0 3 352.387 2.050 20 5 FEBDHN COC(=O)COc1ccc(CN(CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475567935 561100100 /nfs/dbraw/zinc/10/01/00/561100100.db2.gz DSUXRSGTHMKMJH-UHFFFAOYSA-N 0 3 366.414 2.274 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000476631794 561124797 /nfs/dbraw/zinc/12/47/97/561124797.db2.gz PGNBRVHVABSDJT-CYBMUJFWSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000476657815 561125502 /nfs/dbraw/zinc/12/55/02/561125502.db2.gz MHQMJEBSPNXNCD-UKRRQHHQSA-N 0 3 357.414 2.111 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000477021436 561134396 /nfs/dbraw/zinc/13/43/96/561134396.db2.gz AIAANPGTIMVSSS-GDBMZVCRSA-N 0 3 371.441 2.453 20 5 FEBDHN COC1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])cn3)CCCC2)CC1 ZINC000531628172 562452053 /nfs/dbraw/zinc/45/20/53/562452053.db2.gz LOHYQOFYQGFTLV-UHFFFAOYSA-N 0 3 362.430 2.143 20 5 FEBDHN COc1cc(CNCCN2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533104566 562498683 /nfs/dbraw/zinc/49/86/83/562498683.db2.gz YGKBAPBGOOXZAE-UHFFFAOYSA-N 0 3 363.336 2.340 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534252117 562528622 /nfs/dbraw/zinc/52/86/22/562528622.db2.gz XLPICYSTIYWCAY-UHFFFAOYSA-N 0 3 373.457 2.224 20 5 FEBDHN C[C@@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537092414 562585385 /nfs/dbraw/zinc/58/53/85/562585385.db2.gz WNWDLOWLQFGWQO-CQSZACIVSA-N 0 3 364.446 2.408 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568340979 568026454 /nfs/dbraw/zinc/02/64/54/568026454.db2.gz ZUYZVPQLMQGPHO-OAHLLOKOSA-N 0 3 359.430 2.402 20 5 FEBDHN C[C@H](Cc1cccc(O)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568620365 568099736 /nfs/dbraw/zinc/09/97/36/568099736.db2.gz MDHFWSNWKMFEIG-CYBMUJFWSA-N 0 3 364.423 2.295 20 5 FEBDHN COc1ccc(CC(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000569123351 568281938 /nfs/dbraw/zinc/28/19/38/568281938.db2.gz LANSQIYDDREMDW-KRWDZBQOSA-N 0 3 355.394 2.231 20 5 FEBDHN COc1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000569123353 568281951 /nfs/dbraw/zinc/28/19/51/568281951.db2.gz LANSQIYDDREMDW-QGZVFWFLSA-N 0 3 355.394 2.231 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2c(F)cccc2F)c1 ZINC000570179152 568459550 /nfs/dbraw/zinc/45/95/50/568459550.db2.gz WUVCUOAUKRIVCO-ZDUSSCGKSA-N 0 3 352.337 2.445 20 5 FEBDHN C[C@@H]1CC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822291 674513002 /nfs/dbraw/zinc/51/30/02/674513002.db2.gz GUCUDMICIOGIKY-SECBINFHSA-N 0 3 365.814 2.007 20 5 FEBDHN C[C@@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822291 674513004 /nfs/dbraw/zinc/51/30/04/674513004.db2.gz GUCUDMICIOGIKY-SECBINFHSA-N 0 3 365.814 2.007 20 5 FEBDHN CC[NH+](CC)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccco1 ZINC000821181276 606702882 /nfs/dbraw/zinc/70/28/82/606702882.db2.gz LDCIKPLJCSXXJP-GFCCVEGCSA-N 0 3 372.389 2.258 20 5 FEBDHN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112832 674721129 /nfs/dbraw/zinc/72/11/29/674721129.db2.gz UJDDMWFJSXYXOC-OCCSQVGLSA-N 0 3 354.428 2.055 20 5 FEBDHN CC(COC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[N+](=O)[O-] ZINC000813106553 674720482 /nfs/dbraw/zinc/72/04/82/674720482.db2.gz DJJFPSNUBFGWMH-NXEZZACHSA-N 0 3 371.187 2.010 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000563436868 674888110 /nfs/dbraw/zinc/88/81/10/674888110.db2.gz RRBNOLDZHXTXPQ-HNNXBMFYSA-N 0 3 369.487 2.177 20 5 FEBDHN CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976004 674891799 /nfs/dbraw/zinc/89/17/99/674891799.db2.gz ATPXQTIBQUCCOB-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976004 674891800 /nfs/dbraw/zinc/89/18/00/674891800.db2.gz ATPXQTIBQUCCOB-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CC[N@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976004 674891803 /nfs/dbraw/zinc/89/18/03/674891803.db2.gz ATPXQTIBQUCCOB-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000578063968 671637705 /nfs/dbraw/zinc/63/77/05/671637705.db2.gz LGLMZLMBGREBQR-CABCVRRESA-N 0 3 369.487 2.079 20 5 FEBDHN C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261712 675962251 /nfs/dbraw/zinc/96/22/51/675962251.db2.gz ZJOZYAZKSCJUOO-STQMWFEESA-N 0 3 370.475 2.025 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000125473024 672012485 /nfs/dbraw/zinc/01/24/85/672012485.db2.gz BJTBGYPSSNYYJS-NSHDSACASA-N 0 3 361.851 2.177 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H](O)C2CC2)c1 ZINC000583173234 672070183 /nfs/dbraw/zinc/07/01/83/672070183.db2.gz YAMBGVSBXZMOHH-LBPRGKRZSA-N 0 3 362.167 2.060 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1C ZINC000590165410 672563029 /nfs/dbraw/zinc/56/30/29/672563029.db2.gz RVAOPKKDJWDKPV-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN CCS(=O)(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237054127 672806116 /nfs/dbraw/zinc/80/61/16/672806116.db2.gz HQUVRGTVFVFKJR-UHFFFAOYSA-N 0 3 369.468 2.352 20 5 FEBDHN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044370 673024990 /nfs/dbraw/zinc/02/49/90/673024990.db2.gz QTCIVGUGVWNPTM-CZUORRHYSA-N 0 3 351.403 2.479 20 5 FEBDHN CCOc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000537924058 673414073 /nfs/dbraw/zinc/41/40/73/673414073.db2.gz MHBAFIVCLRMHQQ-DZGCQCFKSA-N 0 3 353.444 2.111 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598599026 673587802 /nfs/dbraw/zinc/58/78/02/673587802.db2.gz XEHXKCMLKZPMPY-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN CN1CCN(CC2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000599104868 673633752 /nfs/dbraw/zinc/63/37/52/673633752.db2.gz GHPGCEIWBMUJIU-UHFFFAOYSA-N 0 3 358.364 2.297 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000546776436 673817543 /nfs/dbraw/zinc/81/75/43/673817543.db2.gz FNKUMNSTYORHAG-ZFWWWQNUSA-N 0 3 355.460 2.229 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@]2(O)CCSC2)cc1Br ZINC000602573796 673908390 /nfs/dbraw/zinc/90/83/90/673908390.db2.gz UYWZLSHYEYAFCZ-SNVBAGLBSA-N 0 3 353.263 2.376 20 5 FEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000603052881 673916268 /nfs/dbraw/zinc/91/62/68/673916268.db2.gz OQPSAUZZJBUBQO-ZDUSSCGKSA-N 0 3 367.471 2.283 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619486215 676380357 /nfs/dbraw/zinc/38/03/57/676380357.db2.gz ZJAQNNQNPCQSQZ-OLZOCXBDSA-N 0 3 371.459 2.097 20 5 FEBDHN C[N@@H+](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830185010 677029257 /nfs/dbraw/zinc/02/92/57/677029257.db2.gz UDSHSUXDEOPUEW-UHFFFAOYSA-N 0 3 368.242 2.274 20 5 FEBDHN C[N@H+](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830185010 677029255 /nfs/dbraw/zinc/02/92/55/677029255.db2.gz UDSHSUXDEOPUEW-UHFFFAOYSA-N 0 3 368.242 2.274 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000760555290 680692480 /nfs/dbraw/zinc/69/24/80/680692480.db2.gz SCXHMDIMESHUMC-GFCCVEGCSA-N 0 3 357.357 2.355 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217666 679948927 /nfs/dbraw/zinc/94/89/27/679948927.db2.gz FWSXMKLROQKCDW-MRRJBJDNSA-N 0 3 367.833 2.397 20 5 FEBDHN CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(C)C ZINC000874095637 685294106 /nfs/dbraw/zinc/29/41/06/685294106.db2.gz VOUFCLDHBNQMDQ-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN O=C(CN[C@@H](CO)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000771809116 681071221 /nfs/dbraw/zinc/07/12/21/681071221.db2.gz QRDIPYSUYASROI-ZDUSSCGKSA-N 0 3 362.411 2.017 20 5 FEBDHN O=C(CN1CCCC1)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845486534 681131732 /nfs/dbraw/zinc/13/17/32/681131732.db2.gz QOCWUJQKFRYQQQ-UHFFFAOYSA-N 0 3 370.812 2.132 20 5 FEBDHN CC([C@H](OC(=O)CCCNC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873137 681158076 /nfs/dbraw/zinc/15/80/76/681158076.db2.gz BJZMIPFASUEWHE-BZNIZROVSA-N 0 3 352.362 2.382 20 5 FEBDHN COCCN1CCC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932150181 681184340 /nfs/dbraw/zinc/18/43/40/681184340.db2.gz OFBVLGGGYPVRLX-ZDUSSCGKSA-N 0 3 369.849 2.408 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)CCN(C)CC1 ZINC000933996110 681495209 /nfs/dbraw/zinc/49/52/09/681495209.db2.gz LBZIPBXNJWVMMM-UHFFFAOYSA-N 0 3 350.463 2.061 20 5 FEBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC000912916903 685466661 /nfs/dbraw/zinc/46/66/61/685466661.db2.gz SRYNNKYTZJQOMR-CYBMUJFWSA-N 0 3 353.806 2.324 20 5 FEBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351366 682265113 /nfs/dbraw/zinc/26/51/13/682265113.db2.gz MZPJBYCLKISCNU-DFBGVHRSSA-N 0 3 353.375 2.159 20 5 FEBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347726 683394245 /nfs/dbraw/zinc/39/42/45/683394245.db2.gz LLBCLLOYGWXQHN-BTJLNZGRSA-N 0 3 354.378 2.490 20 5 FEBDHN CS(=O)(=O)c1ccccc1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000922681242 683765760 /nfs/dbraw/zinc/76/57/60/683765760.db2.gz ZNAYXMUZZGCQDQ-UHFFFAOYSA-N 0 3 352.387 2.470 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1F ZINC000867063799 684204550 /nfs/dbraw/zinc/20/45/50/684204550.db2.gz AOFXLKKKYUCAKF-GFCCVEGCSA-N 0 3 373.450 2.393 20 5 FEBDHN O=C1N[C@H](CN2CCCCC2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000924801537 684494459 /nfs/dbraw/zinc/49/44/59/684494459.db2.gz GCUYMTBESYYFLY-CQSZACIVSA-N 0 3 366.805 2.155 20 5 FEBDHN C[C@H](NCC1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030467 684916271 /nfs/dbraw/zinc/91/62/71/684916271.db2.gz FWRAULMKAZRMJC-NSHDSACASA-N 0 3 359.423 2.056 20 5 FEBDHN C[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047713 684917005 /nfs/dbraw/zinc/91/70/05/684917005.db2.gz DARFZIONBFOUTN-NSHDSACASA-N 0 3 371.434 2.341 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000893304072 689328638 /nfs/dbraw/zinc/32/86/38/689328638.db2.gz KBCNSJMMSCVRPL-UKRRQHHQSA-N 0 3 374.846 2.074 20 5 FEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896840379 689937797 /nfs/dbraw/zinc/93/77/97/689937797.db2.gz RHJGSEKQLGKKNC-NSHDSACASA-N 0 3 363.336 2.425 20 5 FEBDHN COc1c(O)ccc(CNC[C@@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896840379 689937799 /nfs/dbraw/zinc/93/77/99/689937799.db2.gz RHJGSEKQLGKKNC-NSHDSACASA-N 0 3 363.336 2.425 20 5 FEBDHN CN1CCN(C)CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000897095683 689974588 /nfs/dbraw/zinc/97/45/88/689974588.db2.gz VIMJXUGGLOPNQL-UHFFFAOYSA-N 0 3 361.471 2.402 20 5 FEBDHN C[C@H](N[C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852756 691183314 /nfs/dbraw/zinc/18/33/14/691183314.db2.gz NDMHQESPGRXWPN-APHBMKBZSA-N 0 3 364.471 2.091 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032247116 539931876 /nfs/dbraw/zinc/93/18/76/539931876.db2.gz XOEWDIAMCSHEME-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041362404 540017946 /nfs/dbraw/zinc/01/79/46/540017946.db2.gz KSCJWHJCTWYJIW-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000041427947 540021251 /nfs/dbraw/zinc/02/12/51/540021251.db2.gz BUKCOFDFSCBQNR-AWEZNQCLSA-N 0 3 351.432 2.052 20 5 FEBDHN CC(=O)NCC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000052849033 540493426 /nfs/dbraw/zinc/49/34/26/540493426.db2.gz LKIDXBFUMRTPMX-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000053160697 540515191 /nfs/dbraw/zinc/51/51/91/540515191.db2.gz DONWQQFUTYDJDY-UHFFFAOYSA-N 0 3 363.414 2.233 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000053807334 540554984 /nfs/dbraw/zinc/55/49/84/540554984.db2.gz GRIONNURDLEZEA-ZDUSSCGKSA-N 0 3 357.414 2.209 20 5 FEBDHN CN(CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000054265602 540579246 /nfs/dbraw/zinc/57/92/46/540579246.db2.gz RYRRLTSEUBARJQ-UHFFFAOYSA-N 0 3 353.382 2.333 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000056113560 540703554 /nfs/dbraw/zinc/70/35/54/540703554.db2.gz PZOKYSTUPDSCIJ-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000062229455 541145759 /nfs/dbraw/zinc/14/57/59/541145759.db2.gz VUKXZNNDCYWFBG-QGZVFWFLSA-N 0 3 371.441 2.210 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000066096045 541281413 /nfs/dbraw/zinc/28/14/13/541281413.db2.gz VWPUYTSCLKFGHE-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000065780226 541260750 /nfs/dbraw/zinc/26/07/50/541260750.db2.gz JVULLORXDSPRNK-HNNXBMFYSA-N 0 3 365.459 2.442 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145816 541424066 /nfs/dbraw/zinc/42/40/66/541424066.db2.gz IACPMTXSLCPGIM-UONOGXRCSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@@H](NC(=O)NC[C@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628397 541492488 /nfs/dbraw/zinc/49/24/88/541492488.db2.gz QVXHNOCNMVKCBI-PBHICJAKSA-N 0 3 364.446 2.048 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000068346388 541579801 /nfs/dbraw/zinc/57/98/01/541579801.db2.gz YJUWVXJWITYYDZ-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CN(CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000069082930 541655261 /nfs/dbraw/zinc/65/52/61/541655261.db2.gz PMSVOEGMCMEUQJ-UHFFFAOYSA-N 0 3 372.425 2.405 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069074840 541654365 /nfs/dbraw/zinc/65/43/65/541654365.db2.gz ZKYMNYDILKULBT-AWEZNQCLSA-N 0 3 350.419 2.005 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000069554659 541696698 /nfs/dbraw/zinc/69/66/98/541696698.db2.gz ZNNSQCCCCMWZBZ-HNNXBMFYSA-N 0 3 374.441 2.447 20 5 FEBDHN Cc1n[nH]c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000069789075 541713792 /nfs/dbraw/zinc/71/37/92/541713792.db2.gz VLRUMYWDBCUDFO-UHFFFAOYSA-N 0 3 367.475 2.108 20 5 FEBDHN CC(C)CCO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000083247035 542696465 /nfs/dbraw/zinc/69/64/65/542696465.db2.gz YUKVHMFREUHJDX-FUHWJXTLSA-N 0 3 352.431 2.472 20 5 FEBDHN CNS(=O)(=O)c1cccc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909994 542789110 /nfs/dbraw/zinc/78/91/10/542789110.db2.gz OYTYLQILUOWUSV-ZDUSSCGKSA-N 0 3 363.439 2.396 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247435756 549333815 /nfs/dbraw/zinc/33/38/15/549333815.db2.gz PBHONBJCHGWFAV-WBMJQRKESA-N 0 3 363.414 2.184 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(C)CC2)cc1OC ZINC000103452904 543108033 /nfs/dbraw/zinc/10/80/33/543108033.db2.gz BRBUKZBVLVRFGO-UHFFFAOYSA-N 0 3 365.430 2.416 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000103453931 543108136 /nfs/dbraw/zinc/10/81/36/543108136.db2.gz GPDZMHROFXAHFB-UHFFFAOYSA-N 0 3 363.414 2.185 20 5 FEBDHN COc1ccc(CNC2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000106468481 543231767 /nfs/dbraw/zinc/23/17/67/543231767.db2.gz HCRXWUOEGWWYOG-UHFFFAOYSA-N 0 3 370.409 2.393 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000107873739 543280498 /nfs/dbraw/zinc/28/04/98/543280498.db2.gz PAGGZJVLPUJWCM-HNNXBMFYSA-N 0 3 374.441 2.319 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000108605441 543297457 /nfs/dbraw/zinc/29/74/57/543297457.db2.gz VCKSCLDFEYQHHL-STQMWFEESA-N 0 3 363.414 2.232 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000109575184 543327536 /nfs/dbraw/zinc/32/75/36/543327536.db2.gz IGTRVSWGNFXPLQ-CQSZACIVSA-N 0 3 353.444 2.152 20 5 FEBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110428449 543357367 /nfs/dbraw/zinc/35/73/67/543357367.db2.gz YHNUUSRIHRIVTF-GOSISDBHSA-N 0 3 367.409 2.346 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000111101750 543381709 /nfs/dbraw/zinc/38/17/09/543381709.db2.gz KTAUBNLJHDMSJW-UHFFFAOYSA-N 0 3 365.405 2.499 20 5 FEBDHN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120185057 543676985 /nfs/dbraw/zinc/67/69/85/543676985.db2.gz BVYLINOVQGGIAH-CYBMUJFWSA-N 0 3 363.439 2.495 20 5 FEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000123188172 543747342 /nfs/dbraw/zinc/74/73/42/543747342.db2.gz WHNIOVOKRCQPAN-AWEZNQCLSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000123787602 543782865 /nfs/dbraw/zinc/78/28/65/543782865.db2.gz GZXLSNJULRQZDG-XJKSGUPXSA-N 0 3 357.414 2.335 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000125996127 543912850 /nfs/dbraw/zinc/91/28/50/543912850.db2.gz TZEJDXJYMDECSP-DZGCQCFKSA-N 0 3 357.414 2.111 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000126762291 543955122 /nfs/dbraw/zinc/95/51/22/543955122.db2.gz INTZFNXKFWHDFW-MRXNPFEDSA-N 0 3 359.382 2.148 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CCN(CCO)CC1 ZINC000127879918 544019014 /nfs/dbraw/zinc/01/90/14/544019014.db2.gz VNTHLTDNSMVYQQ-UHFFFAOYSA-N 0 3 350.419 2.037 20 5 FEBDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896724 544169691 /nfs/dbraw/zinc/16/96/91/544169691.db2.gz DAOPBLHJERRXME-GAFUQQFSSA-N 0 3 368.821 2.209 20 5 FEBDHN C[C@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133711280 544280304 /nfs/dbraw/zinc/28/03/04/544280304.db2.gz JQBXDTVAVVPRBH-INIZCTEOSA-N 0 3 370.457 2.248 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135526810 544351037 /nfs/dbraw/zinc/35/10/37/544351037.db2.gz KIANFSXOAYDWNZ-JKSUJKDBSA-N 0 3 365.455 2.438 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000140429469 544408688 /nfs/dbraw/zinc/40/86/88/544408688.db2.gz STFAUQNUXAILBE-ZDUSSCGKSA-N 0 3 350.419 2.066 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000141815749 544414758 /nfs/dbraw/zinc/41/47/58/544414758.db2.gz FPPXOWSDZVUQMI-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CS[C@@H](CO)[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152489122 544660453 /nfs/dbraw/zinc/66/04/53/544660453.db2.gz LTVPPNBPBMHRIL-ABAIWWIYSA-N 0 3 350.444 2.197 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)c1 ZINC000153477715 544780154 /nfs/dbraw/zinc/78/01/54/544780154.db2.gz ZILUZRBZDGBEDM-KRWDZBQOSA-N 0 3 367.471 2.375 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000154302723 544888475 /nfs/dbraw/zinc/88/84/75/544888475.db2.gz ROBMLLFHXURSPJ-LBPRGKRZSA-N 0 3 359.423 2.147 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000181028232 327713075 /nfs/dbraw/zinc/71/30/75/327713075.db2.gz LPAJVWBKWJYZAN-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN O=[N+]([O-])c1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000185853691 327935741 /nfs/dbraw/zinc/93/57/41/327935741.db2.gz MJJLMVWISWUPKN-UHFFFAOYSA-N 0 3 361.423 2.425 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188229165 328074652 /nfs/dbraw/zinc/07/46/52/328074652.db2.gz OJVJNYMPFVQLQH-ZIAGYGMSSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000189444838 328148840 /nfs/dbraw/zinc/14/88/40/328148840.db2.gz NZYXSTBTTGYTIY-CQSZACIVSA-N 0 3 366.462 2.298 20 5 FEBDHN O=[N+]([O-])c1ccc(CN2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000193693957 328390025 /nfs/dbraw/zinc/39/00/25/328390025.db2.gz ZUWFYTHVALCGHQ-UHFFFAOYSA-N 0 3 364.402 2.047 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000015360893 324382414 /nfs/dbraw/zinc/38/24/14/324382414.db2.gz SLDZLFSJWHYSAV-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CN(C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027581189 324433771 /nfs/dbraw/zinc/43/37/71/324433771.db2.gz NBDSRVVDDOAZFZ-KRWDZBQOSA-N 0 3 357.410 2.263 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000079557366 325096787 /nfs/dbraw/zinc/09/67/87/325096787.db2.gz GPNWVMOLHSESLC-RHSMWYFYSA-N 0 3 371.441 2.269 20 5 FEBDHN Cc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457571 325255362 /nfs/dbraw/zinc/25/53/62/325255362.db2.gz IFUVLQLDOSZHDW-OKILXGFUSA-N 0 3 364.446 2.105 20 5 FEBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090511987 325361787 /nfs/dbraw/zinc/36/17/87/325361787.db2.gz OVSQEPMTGUDMKH-OAHLLOKOSA-N 0 3 370.409 2.107 20 5 FEBDHN Cn1ccnc1CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106164439 325587842 /nfs/dbraw/zinc/58/78/42/325587842.db2.gz CUBUNVJTNPTRPT-KRWDZBQOSA-N 0 3 374.441 2.023 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107872780 325636516 /nfs/dbraw/zinc/63/65/16/325636516.db2.gz GKLGSHNXFGDCAM-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000120062509 326226393 /nfs/dbraw/zinc/22/63/93/326226393.db2.gz SNDQVZDEWPDRRF-OKILXGFUSA-N 0 3 367.421 2.282 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1C ZINC000120915035 326298616 /nfs/dbraw/zinc/29/86/16/326298616.db2.gz BIBNLXLYNYYQCM-JSGCOSHPSA-N 0 3 355.460 2.172 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121075577 326311432 /nfs/dbraw/zinc/31/14/32/326311432.db2.gz VJTRMDOAYWYXIR-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121721505 326361270 /nfs/dbraw/zinc/36/12/70/326361270.db2.gz XMPPSXYISFVXIB-UHFFFAOYSA-N 0 3 364.446 2.422 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000121862205 326372511 /nfs/dbraw/zinc/37/25/11/326372511.db2.gz IAIGPHAFOOIKEE-UHFFFAOYSA-N 0 3 356.386 2.015 20 5 FEBDHN Cc1ccc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000126807525 326495522 /nfs/dbraw/zinc/49/55/22/326495522.db2.gz UVMDHYVCJWTTRX-INIZCTEOSA-N 0 3 373.409 2.457 20 5 FEBDHN O=C(CCN1CCC(N2CCCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000153190780 326726545 /nfs/dbraw/zinc/72/65/45/326726545.db2.gz DUDZGYRXTYODEA-UHFFFAOYSA-N 0 3 374.441 2.400 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000164713237 327073480 /nfs/dbraw/zinc/07/34/80/327073480.db2.gz SAQAKSBZZLHEMG-LBPRGKRZSA-N 0 3 365.411 2.210 20 5 FEBDHN COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000170628024 327089526 /nfs/dbraw/zinc/08/95/26/327089526.db2.gz KGQIGVUREUZCRO-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCC(CN4CCOCC4)CC3)cc2N1 ZINC000170639664 327090064 /nfs/dbraw/zinc/09/00/64/327090064.db2.gz REWJZLSHKTUFEW-UHFFFAOYSA-N 0 3 374.441 2.028 20 5 FEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172460831 327202803 /nfs/dbraw/zinc/20/28/03/327202803.db2.gz HNJIXMLJALMVCC-ZZXKWVIFSA-N 0 3 359.426 2.179 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1C ZINC000172619129 327211937 /nfs/dbraw/zinc/21/19/37/327211937.db2.gz QRLHOJNGJVEREI-UKRRQHHQSA-N 0 3 357.414 2.335 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172648671 327213532 /nfs/dbraw/zinc/21/35/32/327213532.db2.gz GCEXIEICXKFNFW-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN Cc1cccc(NC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173524016 327263810 /nfs/dbraw/zinc/26/38/10/327263810.db2.gz HQAAPDSYRFURQY-GOSISDBHSA-N 0 3 359.430 2.037 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173992737 327300175 /nfs/dbraw/zinc/30/01/75/327300175.db2.gz BJOTXUQGLBSHIO-GFCCVEGCSA-N 0 3 361.851 2.353 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N(CC)CC)C1 ZINC000173989731 327300212 /nfs/dbraw/zinc/30/02/12/327300212.db2.gz ZQBLAFWTLJJLOE-OAHLLOKOSA-N 0 3 355.460 2.262 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000174184700 327311269 /nfs/dbraw/zinc/31/12/69/327311269.db2.gz NAUDTCAKHPEGBD-GXTWGEPZSA-N 0 3 350.419 2.228 20 5 FEBDHN C[NH+](C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087062 327373009 /nfs/dbraw/zinc/37/30/09/327373009.db2.gz XMXQSQUUCUOSEJ-GHMZBOCLSA-N 0 3 361.851 2.399 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000175091656 327373361 /nfs/dbraw/zinc/37/33/61/327373361.db2.gz PFCYDKQAWKOPSB-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000175089634 327373367 /nfs/dbraw/zinc/37/33/67/327373367.db2.gz YZROREHJYZATOV-UONOGXRCSA-N 0 3 355.460 2.363 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000175213124 327380209 /nfs/dbraw/zinc/38/02/09/327380209.db2.gz WCRWCIRJFWKLFR-GOSISDBHSA-N 0 3 362.474 2.205 20 5 FEBDHN O=C(Nc1ccc(F)cc1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176225603 327442017 /nfs/dbraw/zinc/44/20/17/327442017.db2.gz IKSBVGMFHDUSNY-UHFFFAOYSA-N 0 3 361.377 2.281 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)c3ccncc32)c1C ZINC000176975293 327488241 /nfs/dbraw/zinc/48/82/41/327488241.db2.gz KWGVKXIUFKRPFO-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000177493456 327526441 /nfs/dbraw/zinc/52/64/41/327526441.db2.gz YSIUYBDEKFJNKO-ZDUSSCGKSA-N 0 3 371.434 2.291 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000264217986 329001088 /nfs/dbraw/zinc/00/10/88/329001088.db2.gz KBXAUZNFXKOCNL-UHFFFAOYSA-N 0 3 371.437 2.437 20 5 FEBDHN COc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264616064 329041302 /nfs/dbraw/zinc/04/13/02/329041302.db2.gz QQFQWIFMYAJCGU-HNNXBMFYSA-N 0 3 362.430 2.373 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C2CCC2)CC1 ZINC000265102302 329091239 /nfs/dbraw/zinc/09/12/39/329091239.db2.gz FEFRCKUNNJVTKA-UHFFFAOYSA-N 0 3 362.430 2.102 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265998469 329180257 /nfs/dbraw/zinc/18/02/57/329180257.db2.gz ORLXNSKAPBYVHQ-SPGJAERMSA-N 0 3 363.414 2.334 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cc3ccccc3F)CC2)c1 ZINC000266563033 329236499 /nfs/dbraw/zinc/23/64/99/329236499.db2.gz YFNVGYQCORIVIH-QGZVFWFLSA-N 0 3 362.405 2.246 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000268065917 329381991 /nfs/dbraw/zinc/38/19/91/329381991.db2.gz BXNDQOXEMXYZFO-OAHLLOKOSA-N 0 3 372.878 2.485 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N(C)C ZINC000271218373 329674111 /nfs/dbraw/zinc/67/41/11/329674111.db2.gz ZLAQWWLQGRCHRM-JKSUJKDBSA-N 0 3 362.455 2.123 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272346419 329772450 /nfs/dbraw/zinc/77/24/50/329772450.db2.gz CKOWBOYMTQROJA-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN CC(C)(C)OC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273451973 329866275 /nfs/dbraw/zinc/86/62/75/329866275.db2.gz OSWSUZCOQUXNSB-UHFFFAOYSA-N 0 3 356.444 2.304 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956433 534602710 /nfs/dbraw/zinc/60/27/10/534602710.db2.gz KSYVRFDCKIDOLT-UONOGXRCSA-N 0 3 361.423 2.403 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000158567225 545871751 /nfs/dbraw/zinc/87/17/51/545871751.db2.gz DEPDGTVGJVZALH-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN CCN1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000159388432 545949201 /nfs/dbraw/zinc/94/92/01/545949201.db2.gz SINTYDJXYIXXHH-UHFFFAOYSA-N 0 3 358.402 2.021 20 5 FEBDHN CCOc1cc(OCC(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000478730046 561173708 /nfs/dbraw/zinc/17/37/08/561173708.db2.gz ADZAMVQPKCKZHS-UHFFFAOYSA-N 0 3 363.414 2.115 20 5 FEBDHN CC(C)(C)N1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000160946719 546087164 /nfs/dbraw/zinc/08/71/64/546087164.db2.gz MZEBAIURAGEQHY-UHFFFAOYSA-N 0 3 369.487 2.320 20 5 FEBDHN Cc1nn(C)c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000176124720 546410924 /nfs/dbraw/zinc/41/09/24/546410924.db2.gz KEBVLGJKLXJHQV-UHFFFAOYSA-N 0 3 371.441 2.373 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CCc3ccccc32)c1 ZINC000178004853 546721211 /nfs/dbraw/zinc/72/12/11/546721211.db2.gz WPCLCZURBIYJKL-KRWDZBQOSA-N 0 3 361.423 2.150 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178948493 546878982 /nfs/dbraw/zinc/87/89/82/546878982.db2.gz NZZYTQVWOBJRID-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN C[C@@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980260 546882812 /nfs/dbraw/zinc/88/28/12/546882812.db2.gz FGVTXJQSQCRVFV-YGRLFVJLSA-N 0 3 361.851 2.434 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862747 547022596 /nfs/dbraw/zinc/02/25/96/547022596.db2.gz LDXHJCCHBOIFLR-NEPJUHHUSA-N 0 3 351.403 2.335 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000180479468 547115022 /nfs/dbraw/zinc/11/50/22/547115022.db2.gz VTQQNVRONNZIDF-IBGZPJMESA-N 0 3 369.421 2.482 20 5 FEBDHN C[C@@H](NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180561304 547130844 /nfs/dbraw/zinc/13/08/44/547130844.db2.gz FXEVQPLXEXLDBS-GFCCVEGCSA-N 0 3 357.414 2.431 20 5 FEBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180987952 547226378 /nfs/dbraw/zinc/22/63/78/547226378.db2.gz DHVBKZTYYRECLH-UHFFFAOYSA-N 0 3 373.356 2.037 20 5 FEBDHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656318 547354245 /nfs/dbraw/zinc/35/42/45/547354245.db2.gz LRABHPPYRNJZLC-CJNGLKHVSA-N 0 3 354.357 2.417 20 5 FEBDHN Cn1ccnc1CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182237867 547459125 /nfs/dbraw/zinc/45/91/25/547459125.db2.gz HMYKNGMHPKHAAA-MRXNPFEDSA-N 0 3 374.441 2.023 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000182850977 547561918 /nfs/dbraw/zinc/56/19/18/547561918.db2.gz NUNJJZURVKYPKM-QAPCUYQASA-N 0 3 360.458 2.203 20 5 FEBDHN CN(C)CCOc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000183249150 547627282 /nfs/dbraw/zinc/62/72/82/547627282.db2.gz KCNUGTQOMHNPMC-UHFFFAOYSA-N 0 3 370.369 2.059 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000183727654 547708364 /nfs/dbraw/zinc/70/83/64/547708364.db2.gz XFJRMUDBQUWWMM-PBHICJAKSA-N 0 3 369.487 2.129 20 5 FEBDHN CN(C)Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184136500 547775598 /nfs/dbraw/zinc/77/55/98/547775598.db2.gz YZEQWNCGZVPLTM-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000184915377 547899640 /nfs/dbraw/zinc/89/96/40/547899640.db2.gz VQTYLUKZKKHOCG-ABAIWWIYSA-N 0 3 373.450 2.393 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186953786 548227927 /nfs/dbraw/zinc/22/79/27/548227927.db2.gz IMQXOZVUCKTVCR-UHFFFAOYSA-N 0 3 351.403 2.026 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193920989 548406220 /nfs/dbraw/zinc/40/62/20/548406220.db2.gz NXSVJKZRSRJOOP-UHFFFAOYSA-N 0 3 355.460 2.444 20 5 FEBDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000194869251 548543650 /nfs/dbraw/zinc/54/36/50/548543650.db2.gz NJAHDSLZVMESRN-SFHVURJKSA-N 0 3 363.414 2.105 20 5 FEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236748208 548776708 /nfs/dbraw/zinc/77/67/08/548776708.db2.gz OQZGCEPYOFIHAN-SECBINFHSA-N 0 3 369.365 2.409 20 5 FEBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CN1 ZINC000237438811 548825986 /nfs/dbraw/zinc/82/59/86/548825986.db2.gz HRORCGJEXGWNDA-NXEZZACHSA-N 0 3 356.220 2.109 20 5 FEBDHN O=C(CNC1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237894263 548862055 /nfs/dbraw/zinc/86/20/55/548862055.db2.gz XCMHFBOTZXTYJJ-UHFFFAOYSA-N 0 3 372.347 2.014 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@@H](C(C)C)C1 ZINC000487941473 561379383 /nfs/dbraw/zinc/37/93/83/561379383.db2.gz DFEPDRNAVFNRGB-MRXNPFEDSA-N 0 3 364.446 2.204 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762129 561396355 /nfs/dbraw/zinc/39/63/55/561396355.db2.gz CKXLHXROVAJKHN-HWWQOWPSSA-N 0 3 357.414 2.410 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247170857 549293775 /nfs/dbraw/zinc/29/37/75/549293775.db2.gz ASZBMNZFCDRGQW-DZGCQCFKSA-N 0 3 357.414 2.193 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248132129 549409425 /nfs/dbraw/zinc/40/94/25/549409425.db2.gz WRMVCACAYVZOOC-YJBOKZPZSA-N 0 3 357.414 2.051 20 5 FEBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000248452837 549441125 /nfs/dbraw/zinc/44/11/25/549441125.db2.gz JUQJNNLSBQFNIE-BFYDXBDKSA-N 0 3 360.414 2.114 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252544375 549674069 /nfs/dbraw/zinc/67/40/69/549674069.db2.gz IDGHCBXMQDHTHW-QWRGUYRKSA-N 0 3 357.208 2.027 20 5 FEBDHN CS[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1N(C)C ZINC000270626372 550290444 /nfs/dbraw/zinc/29/04/44/550290444.db2.gz FJYZHJNSJONULU-ZIAGYGMSSA-N 0 3 363.443 2.122 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000272238752 550430634 /nfs/dbraw/zinc/43/06/34/550430634.db2.gz XAHQTRBFVZFRIH-GFCCVEGCSA-N 0 3 365.430 2.414 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295012 550435308 /nfs/dbraw/zinc/43/53/08/550435308.db2.gz HSFJEUWCZJLNAS-TVQRCGJNSA-N 0 3 355.341 2.409 20 5 FEBDHN COc1cc(CNC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405605 550444681 /nfs/dbraw/zinc/44/46/81/550444681.db2.gz KIAQMUCFCXFZCP-LBPRGKRZSA-N 0 3 359.373 2.431 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497587 550452914 /nfs/dbraw/zinc/45/29/14/550452914.db2.gz GHPSLKJQRPMXPD-JEBQAFNWSA-N 0 3 355.442 2.490 20 5 FEBDHN CN(C)C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000272660323 550463428 /nfs/dbraw/zinc/46/34/28/550463428.db2.gz HOSPZNQPWBRLMQ-UHFFFAOYSA-N 0 3 355.398 2.211 20 5 FEBDHN Cc1nn(CC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000273128292 550486405 /nfs/dbraw/zinc/48/64/05/550486405.db2.gz PHPLSJPIZVPVJF-UHFFFAOYSA-N 0 3 371.441 2.143 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000273231293 550490731 /nfs/dbraw/zinc/49/07/31/550490731.db2.gz FUDPYJDSFACPHL-GFCCVEGCSA-N 0 3 365.430 2.414 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273343502 550495046 /nfs/dbraw/zinc/49/50/46/550495046.db2.gz AZGXNJJLJZFAGQ-ZDUSSCGKSA-N 0 3 367.425 2.129 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc[nH]c(=O)c2C1 ZINC000277021203 550622823 /nfs/dbraw/zinc/62/28/23/550622823.db2.gz ZSNKZMTXMVEPGW-UHFFFAOYSA-N 0 3 356.382 2.391 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495686 550792550 /nfs/dbraw/zinc/79/25/50/550792550.db2.gz AAHZNUZEOPYDTR-KFKAGJAMSA-N 0 3 371.437 2.421 20 5 FEBDHN COc1cc(CNCCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000278715236 550814091 /nfs/dbraw/zinc/81/40/91/550814091.db2.gz KOJKWFJIFJNAHT-UHFFFAOYSA-N 0 3 352.309 2.407 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000278846317 550828514 /nfs/dbraw/zinc/82/85/14/550828514.db2.gz WFTALSPGUQSRBX-CYBMUJFWSA-N 0 3 355.822 2.133 20 5 FEBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000280996492 551053034 /nfs/dbraw/zinc/05/30/34/551053034.db2.gz JNZXSGUGVYOEHP-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000497459484 561501437 /nfs/dbraw/zinc/50/14/37/561501437.db2.gz JWXKGSITWDQYNP-DOTOQJQBSA-N 0 3 360.458 2.001 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000498373914 561523554 /nfs/dbraw/zinc/52/35/54/561523554.db2.gz LROWPTMGPODIBL-GHMZBOCLSA-N 0 3 373.356 2.209 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](N2CCCC2)C[C@@H]1C ZINC000285574178 551776985 /nfs/dbraw/zinc/77/69/85/551776985.db2.gz NZCXNTFXXIYOLN-DZGCQCFKSA-N 0 3 362.430 2.101 20 5 FEBDHN Nc1ccc(NCCCN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000286184966 551858799 /nfs/dbraw/zinc/85/87/99/551858799.db2.gz JLQLCPJHLLEOHH-UHFFFAOYSA-N 0 3 356.430 2.196 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)s1 ZINC000286190130 551859371 /nfs/dbraw/zinc/85/93/71/551859371.db2.gz AZYOFSNLECFUKI-INIZCTEOSA-N 0 3 373.482 2.448 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000286313285 551872771 /nfs/dbraw/zinc/87/27/71/551872771.db2.gz IUDATLCEBCKFTM-AFYXXPPBSA-N 0 3 359.426 2.320 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286738565 551920642 /nfs/dbraw/zinc/92/06/42/551920642.db2.gz OJBQXNHTWXJXOV-OCCSQVGLSA-N 0 3 371.434 2.290 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286878790 551935951 /nfs/dbraw/zinc/93/59/51/551935951.db2.gz ZFVJLWLXUICSSZ-UKRRQHHQSA-N 0 3 353.444 2.151 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954771 551944347 /nfs/dbraw/zinc/94/43/47/551944347.db2.gz HOZLICXRFSCCOM-STQMWFEESA-N 0 3 356.444 2.469 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066342 551959160 /nfs/dbraw/zinc/95/91/60/551959160.db2.gz JXPXVTRBGIMJKY-DOMZBBRYSA-N 0 3 364.421 2.499 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000499380993 561550049 /nfs/dbraw/zinc/55/00/49/561550049.db2.gz BWEIUPWUYOVBDM-UHFFFAOYSA-N 0 3 366.368 2.416 20 5 FEBDHN CN(CCCN1CCN(C)CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289531301 552336481 /nfs/dbraw/zinc/33/64/81/552336481.db2.gz WCFQOWMUWLLOEE-UHFFFAOYSA-N 0 3 372.416 2.266 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500842880 561584093 /nfs/dbraw/zinc/58/40/93/561584093.db2.gz LYZASFASCSNTQT-PBHICJAKSA-N 0 3 371.441 2.442 20 5 FEBDHN NC(=O)c1ccnc(NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000290589678 552503040 /nfs/dbraw/zinc/50/30/40/552503040.db2.gz XHRMHEZTAHLLRR-LBPRGKRZSA-N 0 3 361.427 2.399 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](n2cccn2)C1 ZINC000291777517 552660657 /nfs/dbraw/zinc/66/06/57/552660657.db2.gz MBRASBMQXVEWEZ-AWEZNQCLSA-N 0 3 359.386 2.076 20 5 FEBDHN COCCN1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291855769 552668979 /nfs/dbraw/zinc/66/89/79/552668979.db2.gz HOZWSQDJGHHJJT-UHFFFAOYSA-N 0 3 364.446 2.240 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOC[C@H](C2CCC2)C1 ZINC000292077165 552691276 /nfs/dbraw/zinc/69/12/76/552691276.db2.gz FHDCDPRKAZJLNG-CVEARBPZSA-N 0 3 350.415 2.083 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)C1 ZINC000294113684 552882762 /nfs/dbraw/zinc/88/27/62/552882762.db2.gz LJKHWUWFGGRYJG-IBGZPJMESA-N 0 3 369.425 2.338 20 5 FEBDHN Cc1nc(N(C)C2CCN(CCc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295619809 553035061 /nfs/dbraw/zinc/03/50/61/553035061.db2.gz WGLNPKJLWOSDFH-UHFFFAOYSA-N 0 3 356.430 2.232 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146763 553111812 /nfs/dbraw/zinc/11/18/12/553111812.db2.gz JYOYDIXBCCTGBQ-CSMYWGQOSA-N 0 3 363.414 2.335 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCCOC1 ZINC000502619233 561622182 /nfs/dbraw/zinc/62/21/82/561622182.db2.gz CGHIKKMYCCHHHP-FRRDWIJNSA-N 0 3 351.403 2.335 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296880747 553224252 /nfs/dbraw/zinc/22/42/52/553224252.db2.gz VACAEGXQHKVSNZ-CQSZACIVSA-N 0 3 364.402 2.004 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299326462 553548431 /nfs/dbraw/zinc/54/84/31/553548431.db2.gz IHKQTEYQPSDRDF-UHFFFAOYSA-N 0 3 352.341 2.405 20 5 FEBDHN Cc1[nH]nc(C(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000299536727 553577583 /nfs/dbraw/zinc/57/75/83/553577583.db2.gz NHLONGWRXQKSQS-UHFFFAOYSA-N 0 3 372.429 2.409 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000299548217 553579592 /nfs/dbraw/zinc/57/95/92/553579592.db2.gz FWHHWNQDOVWKNQ-CABCVRRESA-N 0 3 374.441 2.235 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(NCCCN3CCc4ccccc4C3)nn21 ZINC000301938398 553693194 /nfs/dbraw/zinc/69/31/94/553693194.db2.gz SNFZHMKUFYXOOT-UHFFFAOYSA-N 0 3 352.398 2.498 20 5 FEBDHN COC(=O)c1cnc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000302669176 553725133 /nfs/dbraw/zinc/72/51/33/553725133.db2.gz CXMYLMHRPQOJSY-UHFFFAOYSA-N 0 3 362.430 2.479 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303088727 553744002 /nfs/dbraw/zinc/74/40/02/553744002.db2.gz YSFGAYYGCPDWIK-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372218 561760349 /nfs/dbraw/zinc/76/03/49/561760349.db2.gz XFDVYBIQNXRUMJ-UKRRQHHQSA-N 0 3 366.437 2.205 20 5 FEBDHN COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372219 561760351 /nfs/dbraw/zinc/76/03/51/561760351.db2.gz XFDVYBIQNXRUMJ-ZFWWWQNUSA-N 0 3 366.437 2.205 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000332251771 554410599 /nfs/dbraw/zinc/41/05/99/554410599.db2.gz BUUJIZBXUYQWFQ-GJZGRUSLSA-N 0 3 353.444 2.062 20 5 FEBDHN O=[N+]([O-])c1ncn(Cc2nc(-c3ccccc3CN3CCCCC3)no2)n1 ZINC000349816855 554744140 /nfs/dbraw/zinc/74/41/40/554744140.db2.gz RZFOSYJQCBMKFW-UHFFFAOYSA-N 0 3 369.385 2.271 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177395 554954307 /nfs/dbraw/zinc/95/43/07/554954307.db2.gz JVLPVTQMBCZFRR-ZFWWWQNUSA-N 0 3 361.377 2.195 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177395 554954308 /nfs/dbraw/zinc/95/43/08/554954308.db2.gz JVLPVTQMBCZFRR-ZFWWWQNUSA-N 0 3 361.377 2.195 20 5 FEBDHN COCCCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363063115 555021886 /nfs/dbraw/zinc/02/18/86/555021886.db2.gz VHZZYTSKFXTXJO-UHFFFAOYSA-N 0 3 369.849 2.362 20 5 FEBDHN NC(=O)c1ccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000363407566 555097883 /nfs/dbraw/zinc/09/78/83/555097883.db2.gz ZWZDWTCHNXTKLX-HNNXBMFYSA-N 0 3 369.425 2.413 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000363641094 555153150 /nfs/dbraw/zinc/15/31/50/555153150.db2.gz JHVMTTFPPIRNFJ-ZDUSSCGKSA-N 0 3 358.402 2.230 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000364432148 555313005 /nfs/dbraw/zinc/31/30/05/555313005.db2.gz ASMFURAKINJFBR-JKSUJKDBSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1nnc(C2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000365108041 555487115 /nfs/dbraw/zinc/48/71/15/555487115.db2.gz AKDGYYAWDUCBNV-NSHDSACASA-N 0 3 358.402 2.228 20 5 FEBDHN CCOc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190195 555506165 /nfs/dbraw/zinc/50/61/65/555506165.db2.gz FVXIQGLSKXERAQ-QGZVFWFLSA-N 0 3 362.474 2.205 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1c2ccccc2CC[C@@H]1CO ZINC000365219040 555513857 /nfs/dbraw/zinc/51/38/57/555513857.db2.gz HLOMIHDYTGXHPW-JXXFODFXSA-N 0 3 372.421 2.220 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCCN1S(C)(=O)=O ZINC000513007919 561922414 /nfs/dbraw/zinc/92/24/14/561922414.db2.gz YNOXCGWQPXGYKI-IDKBZEPQSA-N 0 3 367.471 2.402 20 5 FEBDHN CCc1n[nH]c(C(=O)N(C)C2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365524067 555598539 /nfs/dbraw/zinc/59/85/39/555598539.db2.gz SAEWFVYURSOVMC-UHFFFAOYSA-N 0 3 358.402 2.016 20 5 FEBDHN CCc1[nH]nc(C(=O)N(C)C2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365524067 555598541 /nfs/dbraw/zinc/59/85/41/555598541.db2.gz SAEWFVYURSOVMC-UHFFFAOYSA-N 0 3 358.402 2.016 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366565356 555877412 /nfs/dbraw/zinc/87/74/12/555877412.db2.gz UQEFCFNDZHIOTA-ZFWWWQNUSA-N 0 3 365.434 2.123 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4cccc([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000366690472 555910021 /nfs/dbraw/zinc/91/00/21/555910021.db2.gz ASZBWOOTXGQNCD-GASCZTMLSA-N 0 3 357.414 2.104 20 5 FEBDHN O=C(CCN[C@H](CO)Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000515383290 562008376 /nfs/dbraw/zinc/00/83/76/562008376.db2.gz APTXSVXHHZZBRV-HNNXBMFYSA-N 0 3 361.373 2.256 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOCC2(CCCC2)C1 ZINC000369015269 556476462 /nfs/dbraw/zinc/47/64/62/556476462.db2.gz DSGGFHCERYVRAI-OAHLLOKOSA-N 0 3 350.415 2.227 20 5 FEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn(CCN2CCCCC2)c1 ZINC000369651711 556659130 /nfs/dbraw/zinc/65/91/30/556659130.db2.gz ZTOIIJBCEBNKCU-UHFFFAOYSA-N 0 3 371.441 2.250 20 5 FEBDHN CCc1nc(CN2C[C@@H]3CN(Cc4cccc([N+](=O)[O-])c4C)C[C@H]3C2)no1 ZINC000370744678 556955826 /nfs/dbraw/zinc/95/58/26/556955826.db2.gz IGPNZMBZZHUOPA-HOTGVXAUSA-N 0 3 371.441 2.412 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](OC(C)C)C1 ZINC000517736022 562096860 /nfs/dbraw/zinc/09/68/60/562096860.db2.gz FEZKRPJHCQQXQR-CQSZACIVSA-N 0 3 351.403 2.431 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000371783049 557292369 /nfs/dbraw/zinc/29/23/69/557292369.db2.gz FHSAKYVJPCTKIF-SZEUEKNRSA-N 0 3 359.426 2.368 20 5 FEBDHN CSc1cccc(C(=O)N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372549869 557500871 /nfs/dbraw/zinc/50/08/71/557500871.db2.gz ARRGZYCLOXFAOK-UHFFFAOYSA-N 0 3 367.471 2.236 20 5 FEBDHN O=C1Nc2ccccc2[C@@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712495 557544339 /nfs/dbraw/zinc/54/43/39/557544339.db2.gz GHJPMZQHZWSZBH-KRWDZBQOSA-N 0 3 355.398 2.239 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC000372770149 557559370 /nfs/dbraw/zinc/55/93/70/557559370.db2.gz RDQHZAVCBBVFSS-INIZCTEOSA-N 0 3 355.442 2.359 20 5 FEBDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000373207218 557649886 /nfs/dbraw/zinc/64/98/86/557649886.db2.gz COTXNAPNLOQNTA-SCTDSRPQSA-N 0 3 369.425 2.315 20 5 FEBDHN CCCn1nccc1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000374286399 557857788 /nfs/dbraw/zinc/85/77/88/557857788.db2.gz FWCPOVBLEBSEJR-UHFFFAOYSA-N 0 3 359.430 2.243 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375273653 558002557 /nfs/dbraw/zinc/00/25/57/558002557.db2.gz BRASWEVJVSZRSS-YJBOKZPZSA-N 0 3 369.425 2.458 20 5 FEBDHN Cc1n[nH]cc1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375388501 558019209 /nfs/dbraw/zinc/01/92/09/558019209.db2.gz PVTVOCVQIBBLGW-INIZCTEOSA-N 0 3 360.414 2.246 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]3(CCCCO3)C2)c1 ZINC000376043346 558118210 /nfs/dbraw/zinc/11/82/10/558118210.db2.gz PRTMWJMVXOUSKA-AEFFLSMTSA-N 0 3 350.415 2.370 20 5 FEBDHN COC(=O)/C=C/c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512635 558354917 /nfs/dbraw/zinc/35/49/17/558354917.db2.gz OKZCEMHJMZAPDH-IPKOWEFYSA-N 0 3 361.398 2.056 20 5 FEBDHN Cc1c(CC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000378249607 558511527 /nfs/dbraw/zinc/51/15/27/558511527.db2.gz LDLLDHDXZLQDEW-SFHVURJKSA-N 0 3 374.485 2.073 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105927 562240537 /nfs/dbraw/zinc/24/05/37/562240537.db2.gz BYPVXSXDDJIIMZ-VHSXEESVSA-N 0 3 373.356 2.417 20 5 FEBDHN CCOc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105001 562240566 /nfs/dbraw/zinc/24/05/66/562240566.db2.gz VCHAPVNQXXSJQC-RYUDHWBXSA-N 0 3 351.403 2.215 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](N3CCCCC3)C2)c1F ZINC000412100890 559013854 /nfs/dbraw/zinc/01/38/54/559013854.db2.gz IUMPPUNAZIVAEZ-ZDUSSCGKSA-N 0 3 365.405 2.372 20 5 FEBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413053695 559073284 /nfs/dbraw/zinc/07/32/84/559073284.db2.gz KQBQXXAYCCRZBV-UHFFFAOYSA-N 0 3 361.368 2.448 20 5 FEBDHN CN(CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1)Cc1ccccc1 ZINC000413121510 559080288 /nfs/dbraw/zinc/08/02/88/559080288.db2.gz GMANIRNALAGJMV-UHFFFAOYSA-N 0 3 373.432 2.383 20 5 FEBDHN CCN1CCC(N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000413336846 559099746 /nfs/dbraw/zinc/09/97/46/559099746.db2.gz ZFUQKKRAHNLPOD-UHFFFAOYSA-N 0 3 353.394 2.228 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413711040 559126089 /nfs/dbraw/zinc/12/60/89/559126089.db2.gz ISFDLGBRSNOYEV-ZWKOTPCHSA-N 0 3 374.485 2.231 20 5 FEBDHN COCCNC(=O)C1(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187019 559152218 /nfs/dbraw/zinc/15/22/18/559152218.db2.gz PVMCLYKGNXMLMR-ZBFHGGJFSA-N 0 3 361.442 2.191 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416666434 559328703 /nfs/dbraw/zinc/32/87/03/559328703.db2.gz WUMQEYJDTJMEEE-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000416668142 559328805 /nfs/dbraw/zinc/32/88/05/559328805.db2.gz ZORBCTUCKYKMIS-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN O=C(NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1cnccn1 ZINC000417308000 559356822 /nfs/dbraw/zinc/35/68/22/559356822.db2.gz CKQHMRLNRBIPEZ-MRXNPFEDSA-N 0 3 355.398 2.172 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419281371 559435091 /nfs/dbraw/zinc/43/50/91/559435091.db2.gz BDPLUGSXPQPCSC-GOEBONIOSA-N 0 3 366.368 2.138 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420470569 559489409 /nfs/dbraw/zinc/48/94/09/559489409.db2.gz XBTCYADFMOKLIG-QGZVFWFLSA-N 0 3 363.439 2.277 20 5 FEBDHN C[NH+](C)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420748370 559502122 /nfs/dbraw/zinc/50/21/22/559502122.db2.gz PVSLZTWJLONUCW-UHFFFAOYSA-N 0 3 361.851 2.399 20 5 FEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421700430 559549790 /nfs/dbraw/zinc/54/97/90/559549790.db2.gz DVSSJPKEHYQVCJ-SNVBAGLBSA-N 0 3 373.356 2.371 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081617 559618075 /nfs/dbraw/zinc/61/80/75/559618075.db2.gz DJMZHQFRFMHSML-HUUCEWRRSA-N 0 3 359.348 2.470 20 5 FEBDHN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424363858 559662109 /nfs/dbraw/zinc/66/21/09/559662109.db2.gz OXQWKBADMQPUCR-NXEZZACHSA-N 0 3 367.349 2.162 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1SC ZINC000425057160 559685473 /nfs/dbraw/zinc/68/54/73/559685473.db2.gz MCIONXZFTGXAHE-SMDDNHRTSA-N 0 3 365.455 2.492 20 5 FEBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466535 559703749 /nfs/dbraw/zinc/70/37/49/559703749.db2.gz BEGDHFNTIPNEDS-RYUDHWBXSA-N 0 3 356.220 2.362 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000427142988 559748971 /nfs/dbraw/zinc/74/89/71/559748971.db2.gz LJKCWLDDZYZXQB-GOSISDBHSA-N 0 3 361.442 2.241 20 5 FEBDHN COc1cccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428551207 559778068 /nfs/dbraw/zinc/77/80/68/559778068.db2.gz KAAJYLQNEBLGKP-OAHLLOKOSA-N 0 3 371.393 2.422 20 5 FEBDHN O=C1[C@H](N[C@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226500 559793279 /nfs/dbraw/zinc/79/32/79/559793279.db2.gz KUHYNZYOHGYBOC-SUMWQHHRSA-N 0 3 353.378 2.163 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNCc2ccccc21 ZINC000430933410 559830684 /nfs/dbraw/zinc/83/06/84/559830684.db2.gz ILONQWHGSOYBIE-UHFFFAOYSA-N 0 3 356.382 2.152 20 5 FEBDHN Cc1cc(NCC(=O)NCCN2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000431473841 559839888 /nfs/dbraw/zinc/83/98/88/559839888.db2.gz BXCXPNCMPQFBQJ-UHFFFAOYSA-N 0 3 352.410 2.446 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432321618 559856221 /nfs/dbraw/zinc/85/62/21/559856221.db2.gz HFVBEEASARNSOD-UHFFFAOYSA-N 0 3 354.838 2.239 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433323237 559876944 /nfs/dbraw/zinc/87/69/44/559876944.db2.gz VPLNLHVAYXRDJN-XJKSGUPXSA-N 0 3 350.806 2.295 20 5 FEBDHN CCN1CCN([C@H](C)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436316184 559939651 /nfs/dbraw/zinc/93/96/51/559939651.db2.gz RBBWUOMKGKOMMX-LLVKDONJSA-N 0 3 361.368 2.447 20 5 FEBDHN O=C(NCCNc1ccncc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438064224 559973635 /nfs/dbraw/zinc/97/36/35/559973635.db2.gz FCKRWTLXHGTBES-UHFFFAOYSA-N 0 3 354.288 2.272 20 5 FEBDHN CC1(C)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCO[C@@H]21 ZINC000439623478 559998268 /nfs/dbraw/zinc/99/82/68/559998268.db2.gz RJNHZSLTRGSELI-HZMVEIRTSA-N 0 3 359.426 2.493 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@H](OC)C1(C)C ZINC000439638184 559998445 /nfs/dbraw/zinc/99/84/45/559998445.db2.gz VCSRUHHPLIKPMQ-LKTVYLICSA-N 0 3 351.403 2.334 20 5 FEBDHN CN(C)[C@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCSC1 ZINC000445894702 560136482 /nfs/dbraw/zinc/13/64/82/560136482.db2.gz RDOQOBNOZVTLGN-KRWDZBQOSA-N 0 3 364.471 2.100 20 5 FEBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446110392 560139968 /nfs/dbraw/zinc/13/99/68/560139968.db2.gz ZZWMTLDKNLLONX-LLVKDONJSA-N 0 3 370.247 2.452 20 5 FEBDHN Cc1nc(NCc2ccc(OCCN3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000450335915 560259130 /nfs/dbraw/zinc/25/91/30/560259130.db2.gz MXNLDBRFYKBOCN-UHFFFAOYSA-N 0 3 357.414 2.780 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000450701336 560270743 /nfs/dbraw/zinc/27/07/43/560270743.db2.gz VZEANMHTGGSJNX-CXAGYDPISA-N 0 3 355.398 2.151 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000450701339 560270851 /nfs/dbraw/zinc/27/08/51/560270851.db2.gz VZEANMHTGGSJNX-SUMWQHHRSA-N 0 3 355.398 2.151 20 5 FEBDHN CN1CC[C@@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450785327 560273167 /nfs/dbraw/zinc/27/31/67/560273167.db2.gz FLUQERURFMGIPM-RNCFNFMXSA-N 0 3 373.194 2.340 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451632359 560318211 /nfs/dbraw/zinc/31/82/11/560318211.db2.gz OQJMIWTYCZDIJR-JRPNMDOOSA-N 0 3 352.822 2.211 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763680 560327242 /nfs/dbraw/zinc/32/72/42/560327242.db2.gz SXJGBOZAYJOHDX-ZBFHGGJFSA-N 0 3 369.425 2.479 20 5 FEBDHN COC[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452036255 560346890 /nfs/dbraw/zinc/34/68/90/560346890.db2.gz IMCBOZKSHTUOKQ-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452355160 560359745 /nfs/dbraw/zinc/35/97/45/560359745.db2.gz XBDCYQMGNAWPCO-HIFRSBDPSA-N 0 3 367.471 2.038 20 5 FEBDHN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000452581820 560368441 /nfs/dbraw/zinc/36/84/41/560368441.db2.gz UNJDLACKDMGLES-LLVKDONJSA-N 0 3 353.369 2.358 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454085208 560427822 /nfs/dbraw/zinc/42/78/22/560427822.db2.gz FFABOZSCUMMMFB-GFCCVEGCSA-N 0 3 368.821 2.128 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000455252344 560475609 /nfs/dbraw/zinc/47/56/09/560475609.db2.gz UINOANFLOLYYQX-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN CN(C)CC(C)(C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000457206038 560555799 /nfs/dbraw/zinc/55/57/99/560555799.db2.gz AOMCWLASHIQHDC-UHFFFAOYSA-N 0 3 350.238 2.489 20 5 FEBDHN Cc1ccc(NCCCNC(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000458441313 560623402 /nfs/dbraw/zinc/62/34/02/560623402.db2.gz WSGBXMMJBJROAG-UHFFFAOYSA-N 0 3 351.451 2.345 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713615 560915419 /nfs/dbraw/zinc/91/54/19/560915419.db2.gz MVPPIATZXHFMAN-HWPZZCPQSA-N 0 3 356.382 2.061 20 5 FEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470818127 560990785 /nfs/dbraw/zinc/99/07/85/560990785.db2.gz YTNSYZUIQSQHNT-WMZOPIPTSA-N 0 3 373.432 2.472 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004449 561063368 /nfs/dbraw/zinc/06/33/68/561063368.db2.gz GOXZYOVEDAHONN-YMRXKLBXSA-N 0 3 366.414 2.296 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000475753411 561104443 /nfs/dbraw/zinc/10/44/43/561104443.db2.gz XWBNEPJUVPAGPH-FUHWJXTLSA-N 0 3 350.415 2.227 20 5 FEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476156877 561112172 /nfs/dbraw/zinc/11/21/72/561112172.db2.gz QPBXBSDXLXABLF-CYBMUJFWSA-N 0 3 357.414 2.284 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000476355965 561117540 /nfs/dbraw/zinc/11/75/40/561117540.db2.gz RKIVHQSPOLOLRI-OAHLLOKOSA-N 0 3 357.414 2.113 20 5 FEBDHN C[C@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813541 562424890 /nfs/dbraw/zinc/42/48/90/562424890.db2.gz ZKGDHDXPFWUCOK-YWZLYKJASA-N 0 3 369.421 2.409 20 5 FEBDHN CS[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534827452 562543343 /nfs/dbraw/zinc/54/33/43/562543343.db2.gz LQMVHANPGMFOEJ-JKSUJKDBSA-N 0 3 366.487 2.291 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313753 562555663 /nfs/dbraw/zinc/55/56/63/562555663.db2.gz MUKZPEPISYNXER-AWEZNQCLSA-N 0 3 357.414 2.455 20 5 FEBDHN Cn1nnc2c1CC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602705201 568017915 /nfs/dbraw/zinc/01/79/15/568017915.db2.gz MHDXJAFBENNBHQ-SSDOTTSWSA-N 0 3 372.248 2.194 20 5 FEBDHN NC(=O)[C@@H](Cc1ccccc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568322470 568024191 /nfs/dbraw/zinc/02/41/91/568024191.db2.gz GEPWNYRUVAFFJG-GOSISDBHSA-N 0 3 352.394 2.305 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(CO)c1ccccc1 ZINC000609483887 568342045 /nfs/dbraw/zinc/34/20/45/568342045.db2.gz NXXCNIKNLUEBHJ-IBGZPJMESA-N 0 3 373.409 2.429 20 5 FEBDHN O=[N+]([O-])c1ccccc1CCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000569837453 568421047 /nfs/dbraw/zinc/42/10/47/568421047.db2.gz QEIHBOWKAHVSOZ-UHFFFAOYSA-N 0 3 352.387 2.340 20 5 FEBDHN C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419215 599362232 /nfs/dbraw/zinc/36/22/32/599362232.db2.gz FTIRWJUNDKXKIT-BZNIZROVSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419215 599362235 /nfs/dbraw/zinc/36/22/35/599362235.db2.gz FTIRWJUNDKXKIT-BZNIZROVSA-N 0 3 354.370 2.159 20 5 FEBDHN CC(COC(=O)/C=C/c1ccc(I)o1)[N+](=O)[O-] ZINC000813099723 674719220 /nfs/dbraw/zinc/71/92/20/674719220.db2.gz BGDDRYAJYBYAGB-OHCKJTPYSA-N 0 3 351.096 2.106 20 5 FEBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000813105206 674719931 /nfs/dbraw/zinc/71/99/31/674719931.db2.gz KLHADBNPYGNTIJ-JOYOIKCWSA-N 0 3 353.766 2.153 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+](C)C ZINC000813730231 674775058 /nfs/dbraw/zinc/77/50/58/674775058.db2.gz MHBDQUADWSDSPU-QMMMGPOBSA-N 0 3 370.258 2.378 20 5 FEBDHN CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000042159943 670158456 /nfs/dbraw/zinc/15/84/56/670158456.db2.gz YTGSTYJPRJJJSK-UHFFFAOYSA-N 0 3 350.375 2.497 20 5 FEBDHN CC(C)[C@H](O)C(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576227419 671353563 /nfs/dbraw/zinc/35/35/63/671353563.db2.gz UZLMIAXIZWRQCK-HNNXBMFYSA-N 0 3 358.460 2.001 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCOC2CCCC2)cc1 ZINC000578996980 671704798 /nfs/dbraw/zinc/70/47/98/671704798.db2.gz BNCUIVIZWGZKCM-UHFFFAOYSA-N 0 3 356.444 2.307 20 5 FEBDHN CO[C@@]1(C)C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130257 671784591 /nfs/dbraw/zinc/78/45/91/671784591.db2.gz LJTNUXFMXDMHGE-ZBFHGGJFSA-N 0 3 356.444 2.162 20 5 FEBDHN CN(C)S(=O)(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000589328680 672521964 /nfs/dbraw/zinc/52/19/64/672521964.db2.gz HRECKNISLKREHG-UHFFFAOYSA-N 0 3 369.468 2.304 20 5 FEBDHN COc1cc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1[O-] ZINC000589938574 672549225 /nfs/dbraw/zinc/54/92/25/672549225.db2.gz WBKKPXJNSFLAOY-ZANVPECISA-N 0 3 350.293 2.245 20 5 FEBDHN COc1cc(C(=O)N2CCNCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000591677749 672700728 /nfs/dbraw/zinc/70/07/28/672700728.db2.gz BTSDAHLHRMJZES-UHFFFAOYSA-N 0 3 359.329 2.029 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1 ZINC000592242526 672776085 /nfs/dbraw/zinc/77/60/85/672776085.db2.gz SXPPDCGVRCUSOD-CYBMUJFWSA-N 0 3 356.220 2.427 20 5 FEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594043869 673024945 /nfs/dbraw/zinc/02/49/45/673024945.db2.gz PBBFPQPGPVEEQK-HIFRSBDPSA-N 0 3 351.403 2.479 20 5 FEBDHN Cc1cnc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000594576890 673101407 /nfs/dbraw/zinc/10/14/07/673101407.db2.gz DWTFKOHNVHJPQB-UHFFFAOYSA-N 0 3 363.439 2.213 20 5 FEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594770949 673136543 /nfs/dbraw/zinc/13/65/43/673136543.db2.gz LDFKIQGOBSSLAU-LBPRGKRZSA-N 0 3 366.443 2.152 20 5 FEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595500851 673258495 /nfs/dbraw/zinc/25/84/95/673258495.db2.gz MMFNXPAPVOZTKB-CQSZACIVSA-N 0 3 350.419 2.146 20 5 FEBDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779967 673324548 /nfs/dbraw/zinc/32/45/48/673324548.db2.gz HBEGXAJSWHZFBL-HERUPUMHSA-N 0 3 353.806 2.468 20 5 FEBDHN CN(C)C(=O)N(C)[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595826948 673328361 /nfs/dbraw/zinc/32/83/61/673328361.db2.gz PWMBISMSWTYGRA-HNNXBMFYSA-N 0 3 350.419 2.051 20 5 FEBDHN COCC1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595909113 673337399 /nfs/dbraw/zinc/33/73/99/673337399.db2.gz MMMDZLMPIMHWIE-UHFFFAOYSA-N 0 3 356.444 2.307 20 5 FEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597858167 673513462 /nfs/dbraw/zinc/51/34/62/673513462.db2.gz LFTNNDUMWJZGRK-ZDUSSCGKSA-N 0 3 367.471 2.282 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000598609899 673590192 /nfs/dbraw/zinc/59/01/92/673590192.db2.gz ZOPALUMNJNVPTG-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN NS(=O)(=O)c1c(NC[C@@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599125808 673635295 /nfs/dbraw/zinc/63/52/95/673635295.db2.gz CFOKFIDSGOJQCH-ZDUSSCGKSA-N 0 3 368.459 2.061 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1 ZINC000600119144 673742333 /nfs/dbraw/zinc/74/23/33/673742333.db2.gz JOMYCRWBXFIEER-LLVKDONJSA-N 0 3 356.220 2.427 20 5 FEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@]1(C)CCCS1 ZINC000600164975 673745715 /nfs/dbraw/zinc/74/57/15/673745715.db2.gz MPZIGAKFPSBWJY-HNNXBMFYSA-N 0 3 373.500 2.091 20 5 FEBDHN COc1cc(CN(CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000545930784 673783348 /nfs/dbraw/zinc/78/33/48/673783348.db2.gz LQQDBOVYBFDTJO-UHFFFAOYSA-N 0 3 356.394 2.494 20 5 FEBDHN Cc1c(C(=O)NCCN2CC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744801186 673811716 /nfs/dbraw/zinc/81/17/16/673811716.db2.gz MVUJOTOXPLUBNX-JTQLQIEISA-N 0 3 350.375 2.191 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@]2(CCO)CCOC2)cc1Br ZINC000602569283 673908011 /nfs/dbraw/zinc/90/80/11/673908011.db2.gz OTCZCVQHPFEBNE-LBPRGKRZSA-N 0 3 365.249 2.298 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000602780399 673910895 /nfs/dbraw/zinc/91/08/95/673910895.db2.gz PGBVWSOSSAFHDM-MRXNPFEDSA-N 0 3 352.435 2.150 20 5 FEBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000548021631 673915691 /nfs/dbraw/zinc/91/56/91/673915691.db2.gz SZKJGCGPXKTPTO-LBPRGKRZSA-N 0 3 350.448 2.052 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000567771248 675320769 /nfs/dbraw/zinc/32/07/69/675320769.db2.gz WQIQEKIKZFHWQD-DOMZBBRYSA-N 0 3 355.460 2.118 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000567782855 675322200 /nfs/dbraw/zinc/32/22/00/675322200.db2.gz DPFLUDBGSXRFSK-ZBFHGGJFSA-N 0 3 367.471 2.262 20 5 FEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000823133258 675531460 /nfs/dbraw/zinc/53/14/60/675531460.db2.gz LKKYYCONUAQVLG-JTQLQIEISA-N 0 3 371.235 2.106 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000825147380 675638801 /nfs/dbraw/zinc/63/88/01/675638801.db2.gz FBYUASAZQKHPTL-OAHLLOKOSA-N 0 3 366.849 2.035 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)cc1Cl ZINC000828423531 675819017 /nfs/dbraw/zinc/81/90/17/675819017.db2.gz WWJQTOLTDACHMI-LLVKDONJSA-N 0 3 371.821 2.294 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000616136181 676240498 /nfs/dbraw/zinc/24/04/98/676240498.db2.gz OPXCCSOSWWKHNY-CQSZACIVSA-N 0 3 352.387 2.148 20 5 FEBDHN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000839493629 680756713 /nfs/dbraw/zinc/75/67/13/680756713.db2.gz ZBUMRROETUHREK-CYBMUJFWSA-N 0 3 352.822 2.355 20 5 FEBDHN NCc1cn([C@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100152 680863357 /nfs/dbraw/zinc/86/33/57/680863357.db2.gz VUYUVIUOXWHHOZ-AWEZNQCLSA-N 0 3 350.810 2.136 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000752234497 680231109 /nfs/dbraw/zinc/23/11/09/680231109.db2.gz IJLISLBOKIKLHE-OLZOCXBDSA-N 0 3 373.862 2.462 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001035704093 680450979 /nfs/dbraw/zinc/45/09/79/680450979.db2.gz DHOFWPUKAWHQAO-HZPDHXFCSA-N 0 3 363.845 2.430 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000836541533 680481419 /nfs/dbraw/zinc/48/14/19/680481419.db2.gz GUGZOOXVQFSTAQ-NEPJUHHUSA-N 0 3 353.806 2.150 20 5 FEBDHN COc1cccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1Cl ZINC001002787269 680508416 /nfs/dbraw/zinc/50/84/16/680508416.db2.gz IKPSKABCHPOPDE-ZIAGYGMSSA-N 0 3 367.833 2.094 20 5 FEBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845500097 681133065 /nfs/dbraw/zinc/13/30/65/681133065.db2.gz IJOZMHKILKLXHB-ZDUSSCGKSA-N 0 3 370.812 2.130 20 5 FEBDHN CC([C@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845872350 681158148 /nfs/dbraw/zinc/15/81/48/681158148.db2.gz HFXUBGPBQUBHJD-GDLVEWKHSA-N 0 3 350.346 2.086 20 5 FEBDHN COCCN1CCC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932150180 681184403 /nfs/dbraw/zinc/18/44/03/681184403.db2.gz OFBVLGGGYPVRLX-CYBMUJFWSA-N 0 3 369.849 2.408 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000935819265 681829431 /nfs/dbraw/zinc/82/94/31/681829431.db2.gz RDICXIVIRWGCNV-UHFFFAOYSA-N 0 3 366.487 2.073 20 5 FEBDHN CCC[N@@H+]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821667 682148290 /nfs/dbraw/zinc/14/82/90/682148290.db2.gz WVFJGLLWNXFNJQ-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CCC[N@H+]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821667 682148291 /nfs/dbraw/zinc/14/82/91/682148291.db2.gz WVFJGLLWNXFNJQ-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000791129023 682724290 /nfs/dbraw/zinc/72/42/90/682724290.db2.gz IIQFTVAMXITXAW-OAHLLOKOSA-N 0 3 355.797 2.482 20 5 FEBDHN CN(C)[C@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000922754239 683777742 /nfs/dbraw/zinc/77/77/42/683777742.db2.gz WMQHHMYNKPKTBW-CQSZACIVSA-N 0 3 363.336 2.338 20 5 FEBDHN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000865008360 683922107 /nfs/dbraw/zinc/92/21/07/683922107.db2.gz YVWXFKXAOIMDQB-LLVKDONJSA-N 0 3 368.231 2.253 20 5 FEBDHN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866305694 684090686 /nfs/dbraw/zinc/09/06/86/684090686.db2.gz KDGFGYFHKNWVSD-FZMZJTMJSA-N 0 3 373.450 2.396 20 5 FEBDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481813 686387874 /nfs/dbraw/zinc/38/78/74/686387874.db2.gz SXRAFDXKZMTDTP-JKSUJKDBSA-N 0 3 352.431 2.057 20 5 FEBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000882769316 687480846 /nfs/dbraw/zinc/48/08/46/687480846.db2.gz QMUBCIMGDGYSNT-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCNCCC23CCC3)c1 ZINC000883478819 687643277 /nfs/dbraw/zinc/64/32/77/687643277.db2.gz BAHDERAPCQRQMZ-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900581567 690534670 /nfs/dbraw/zinc/53/46/70/690534670.db2.gz ZWDJAWRRGXVCBS-LLVKDONJSA-N 0 3 359.785 2.228 20 5 FEBDHN CCCN(CCN(C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906581800 691287865 /nfs/dbraw/zinc/28/78/65/691287865.db2.gz ZWIROJWEIATFMD-UHFFFAOYSA-N 0 3 351.403 2.170 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907458182 691488021 /nfs/dbraw/zinc/48/80/21/691488021.db2.gz ZNYKSJBNGSXNRG-NSHDSACASA-N 0 3 372.828 2.143 20 5 FEBDHN Nc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906331 721539845 /nfs/dbraw/zinc/53/98/45/721539845.db2.gz JVLKKUYLCDOHHS-UKRRQHHQSA-N 0 3 373.388 2.053 20 5 FEBDHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000800309759 674040508 /nfs/dbraw/zinc/04/05/08/674040508.db2.gz RMCLIMNGNUTEEA-QMTHXVAHSA-N 0 3 361.851 2.056 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000047672979 540323800 /nfs/dbraw/zinc/32/38/00/540323800.db2.gz DEGBIQJKHBSFIP-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000055298224 540645130 /nfs/dbraw/zinc/64/51/30/540645130.db2.gz FYJHZLNWLRNSHA-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000065721744 541255380 /nfs/dbraw/zinc/25/53/80/541255380.db2.gz RWKNZQZNHQVJGI-WBVHZDCISA-N 0 3 369.425 2.243 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000065742576 541256480 /nfs/dbraw/zinc/25/64/80/541256480.db2.gz SAYMOPLXNBOUBW-QGZVFWFLSA-N 0 3 371.441 2.443 20 5 FEBDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067419450 541461831 /nfs/dbraw/zinc/46/18/31/541461831.db2.gz RVULXIDQLBUSIO-HNNXBMFYSA-N 0 3 362.430 2.080 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068777578 541626348 /nfs/dbraw/zinc/62/63/48/541626348.db2.gz HZVUNGHDIAAMCN-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000069137374 541661970 /nfs/dbraw/zinc/66/19/70/541661970.db2.gz IDYHZKFDWBJCDI-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000069527403 541694218 /nfs/dbraw/zinc/69/42/18/541694218.db2.gz CDPNUGROEQWBFI-GFCCVEGCSA-N 0 3 353.444 2.157 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076380813 542270176 /nfs/dbraw/zinc/27/01/76/542270176.db2.gz CNJSAHOVELZYSL-ZDUSSCGKSA-N 0 3 372.429 2.088 20 5 FEBDHN CCOC(=O)c1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603539 542766472 /nfs/dbraw/zinc/76/64/72/542766472.db2.gz JFLDXGCYQHNBFE-OAHLLOKOSA-N 0 3 363.414 2.437 20 5 FEBDHN CNC(=O)c1ccc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000092978294 542899542 /nfs/dbraw/zinc/89/95/42/542899542.db2.gz LSQQEZZZMOUEPY-UHFFFAOYSA-N 0 3 372.429 2.380 20 5 FEBDHN Cn1ccnc1C[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439790 549334213 /nfs/dbraw/zinc/33/42/13/549334213.db2.gz WNOGLJFNWWAWGF-NVXWUHKLSA-N 0 3 374.441 2.023 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000107873743 543280234 /nfs/dbraw/zinc/28/02/34/543280234.db2.gz PAGGZJVLPUJWCM-OAHLLOKOSA-N 0 3 374.441 2.319 20 5 FEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109028043 543311357 /nfs/dbraw/zinc/31/13/57/543311357.db2.gz GVCLJAXYIMTEAM-OAHLLOKOSA-N 0 3 358.442 2.164 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986258 543345484 /nfs/dbraw/zinc/34/54/84/543345484.db2.gz NRVVQLGPMQIZQI-GFCCVEGCSA-N 0 3 358.398 2.041 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000113646585 543494694 /nfs/dbraw/zinc/49/46/94/543494694.db2.gz NAPMUNUNJZWACP-HNNXBMFYSA-N 0 3 362.430 2.222 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115437131 543567572 /nfs/dbraw/zinc/56/75/72/543567572.db2.gz BJURRVIAGQNJHG-AWEZNQCLSA-N 0 3 357.414 2.194 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000116922630 543619728 /nfs/dbraw/zinc/61/97/28/543619728.db2.gz RHYKEOJHOFDICS-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121782667 543699356 /nfs/dbraw/zinc/69/93/56/543699356.db2.gz PTIVIUYQKXQMCI-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN COc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123136088 543745131 /nfs/dbraw/zinc/74/51/31/543745131.db2.gz YEELVTVHDYATPV-CQSZACIVSA-N 0 3 350.346 2.272 20 5 FEBDHN CN(C(=O)CN1CCC[C@@H](Cc2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713432 543778497 /nfs/dbraw/zinc/77/84/97/543778497.db2.gz HNTNNEAEXSOQBV-HNNXBMFYSA-N 0 3 371.441 2.246 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000123209857 543748888 /nfs/dbraw/zinc/74/88/88/543748888.db2.gz WXPNSWWVXVIRGM-UHFFFAOYSA-N 0 3 359.473 2.214 20 5 FEBDHN O=C(CN[C@H]1CCCC[C@@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128649210 544065196 /nfs/dbraw/zinc/06/51/96/544065196.db2.gz RXHPZDYJRFUQQV-IRXDYDNUSA-N 0 3 369.425 2.454 20 5 FEBDHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128933072 544081236 /nfs/dbraw/zinc/08/12/36/544081236.db2.gz NHNUHWQASSFRAD-GFCCVEGCSA-N 0 3 367.377 2.338 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130115189 544139319 /nfs/dbraw/zinc/13/93/19/544139319.db2.gz PAQUQEAZRXRVAJ-UHFFFAOYSA-N 0 3 357.370 2.268 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000132811438 544244354 /nfs/dbraw/zinc/24/43/54/544244354.db2.gz VSBSIZNXYGLFMQ-QGZVFWFLSA-N 0 3 374.445 2.174 20 5 FEBDHN CS(=O)(=O)N1CCC[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135238512 544338920 /nfs/dbraw/zinc/33/89/20/544338920.db2.gz ZHBOQISZLNDXQE-CQSZACIVSA-N 0 3 367.471 2.231 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148537876 544452410 /nfs/dbraw/zinc/45/24/10/544452410.db2.gz UYCWTMLXXUSWFS-JHJVBQTASA-N 0 3 363.414 2.420 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000150983025 544493126 /nfs/dbraw/zinc/49/31/26/544493126.db2.gz FZBKNESXUGMVPB-LJQANCHMSA-N 0 3 374.485 2.156 20 5 FEBDHN CN(C)Cc1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000151684149 544569499 /nfs/dbraw/zinc/56/94/99/544569499.db2.gz KPJILHJHTWPUKF-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000152892309 544707281 /nfs/dbraw/zinc/70/72/81/544707281.db2.gz WRGSEPJRQGGIQE-YPMHNXCESA-N 0 3 373.862 2.353 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000152923880 544711823 /nfs/dbraw/zinc/71/18/23/544711823.db2.gz WYGRROWAOAOVBP-RISCZKNCSA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247530801 549351615 /nfs/dbraw/zinc/35/16/15/549351615.db2.gz OZTATBUCZXKHTJ-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000154819243 544953217 /nfs/dbraw/zinc/95/32/17/544953217.db2.gz XQAGWCQBORZKFG-SFHVURJKSA-N 0 3 357.414 2.113 20 5 FEBDHN COC(=O)CCn1nc(C)c(CNCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000182195999 327765064 /nfs/dbraw/zinc/76/50/64/327765064.db2.gz UTXIFDUJWPJNRE-UHFFFAOYSA-N 0 3 360.414 2.304 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(CCOC)CC1 ZINC000184709017 327879969 /nfs/dbraw/zinc/87/99/69/327879969.db2.gz ZCPSWYQPILXYNC-MRXNPFEDSA-N 0 3 363.458 2.391 20 5 FEBDHN Cc1cc(NCCN2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188495075 328090755 /nfs/dbraw/zinc/09/07/55/328090755.db2.gz KCHCLWUXAITTHH-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188673965 328103366 /nfs/dbraw/zinc/10/33/66/328103366.db2.gz OKXBWBRTVAVMSY-UHFFFAOYSA-N 0 3 363.377 2.314 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189129918 328129983 /nfs/dbraw/zinc/12/99/83/328129983.db2.gz FTUHAKQFFDORDI-UHFFFAOYSA-N 0 3 355.460 2.262 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000189862962 328172240 /nfs/dbraw/zinc/17/22/40/328172240.db2.gz VSSJBWFKLWYSCJ-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000189897936 328174708 /nfs/dbraw/zinc/17/47/08/328174708.db2.gz POKKOBMHEXBEHM-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190023167 328183188 /nfs/dbraw/zinc/18/31/88/328183188.db2.gz RIYDYGPAQLVPKR-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053815 328184858 /nfs/dbraw/zinc/18/48/58/328184858.db2.gz CDJONVKUIIBKBA-KBPBESRZSA-N 0 3 355.460 2.363 20 5 FEBDHN CC(C)C(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192884270 328344928 /nfs/dbraw/zinc/34/49/28/328344928.db2.gz PHISQLOHRKUAIL-ZDUSSCGKSA-N 0 3 362.430 2.158 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccccc2)cc1OC ZINC000237050512 328502784 /nfs/dbraw/zinc/50/27/84/328502784.db2.gz FFQQOSGZFBRMPZ-CQSZACIVSA-N 0 3 359.382 2.432 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000077804696 325017561 /nfs/dbraw/zinc/01/75/61/325017561.db2.gz MBLMMSZKEJTUPH-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN COc1cc(C(=O)NC2CCN(CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000081996539 325205765 /nfs/dbraw/zinc/20/57/65/325205765.db2.gz FDONZGXQZFOLQC-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083027191 325210577 /nfs/dbraw/zinc/21/05/77/325210577.db2.gz LGDSVSVYXZWSQT-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN O=C(CCN1CCCN(CC(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091084217 325373934 /nfs/dbraw/zinc/37/39/34/325373934.db2.gz ZNXQEBMZZOQCIO-UHFFFAOYSA-N 0 3 356.373 2.196 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000098097785 325466393 /nfs/dbraw/zinc/46/63/93/325466393.db2.gz JBFVECZCQLXCSF-HNNXBMFYSA-N 0 3 357.414 2.204 20 5 FEBDHN Cc1c(CC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000119041735 326120852 /nfs/dbraw/zinc/12/08/52/326120852.db2.gz YAEOSXJKFQWFLW-GOSISDBHSA-N 0 3 374.485 2.074 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000119878079 326208389 /nfs/dbraw/zinc/20/83/89/326208389.db2.gz RHSHOTGYQDFFKJ-ZDUSSCGKSA-N 0 3 353.444 2.157 20 5 FEBDHN CC(C)CN1CCC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120324489 326249651 /nfs/dbraw/zinc/24/96/51/326249651.db2.gz KAMWWAKGFYFWMM-MRXNPFEDSA-N 0 3 369.487 2.382 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000122391142 326394947 /nfs/dbraw/zinc/39/49/47/326394947.db2.gz UFMGSBOTGSGJTC-ZIAGYGMSSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122450282 326397408 /nfs/dbraw/zinc/39/74/08/326397408.db2.gz WYANPQNHHCETDT-AAEUAGOBSA-N 0 3 373.862 2.353 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000152389248 326706065 /nfs/dbraw/zinc/70/60/65/326706065.db2.gz NDKXSDMNQNDPFM-UHFFFAOYSA-N 0 3 357.414 2.194 20 5 FEBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895301 326718893 /nfs/dbraw/zinc/71/88/93/326718893.db2.gz VRKSLJPYTDVALW-DLBZAZTESA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1ccc([C@H](C)NCCN2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000164260373 327067450 /nfs/dbraw/zinc/06/74/50/327067450.db2.gz MMPMLRWEPGUHEY-INIZCTEOSA-N 0 3 370.457 2.166 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000165502536 327078243 /nfs/dbraw/zinc/07/82/43/327078243.db2.gz AWHGWZIUXFFMFD-GFCCVEGCSA-N 0 3 363.443 2.032 20 5 FEBDHN COCCCN1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171199296 327124303 /nfs/dbraw/zinc/12/43/03/327124303.db2.gz LIDDOMCGQCRKMC-AWEZNQCLSA-N 0 3 364.446 2.456 20 5 FEBDHN Cc1cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000172018242 327176415 /nfs/dbraw/zinc/17/64/15/327176415.db2.gz GFTCHLFYFHQYCH-UHFFFAOYSA-N 0 3 355.460 2.444 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000173288305 327247071 /nfs/dbraw/zinc/24/70/71/327247071.db2.gz YOTARQXFUBGLIY-QGZVFWFLSA-N 0 3 360.458 2.145 20 5 FEBDHN CN(CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000173767401 327282709 /nfs/dbraw/zinc/28/27/09/327282709.db2.gz PRHJIAVLDLDGPE-UHFFFAOYSA-N 0 3 356.426 2.279 20 5 FEBDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738132 327347585 /nfs/dbraw/zinc/34/75/85/327347585.db2.gz IJOUKVUOOFGVMW-CQSZACIVSA-N 0 3 358.320 2.303 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176692751 327470415 /nfs/dbraw/zinc/47/04/15/327470415.db2.gz AWDVXLBFFHSNKS-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN Cn1cc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177563982 327530640 /nfs/dbraw/zinc/53/06/40/327530640.db2.gz WAJXBXDVJSGNDX-OAHLLOKOSA-N 0 3 371.441 2.484 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262836620 328893557 /nfs/dbraw/zinc/89/35/57/328893557.db2.gz WJAONUFFWURRSW-VXGBXAGGSA-N 0 3 353.444 2.045 20 5 FEBDHN CCN1CCN(Cc2ccc(CNc3c([N+](=O)[O-])c(C)nn3C)cc2)CC1 ZINC000265144858 329096096 /nfs/dbraw/zinc/09/60/96/329096096.db2.gz RGKAFQHCZUPGRG-UHFFFAOYSA-N 0 3 372.473 2.386 20 5 FEBDHN COCCN(C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265224291 329104105 /nfs/dbraw/zinc/10/41/05/329104105.db2.gz AVHRLUZSZAYSEL-UHFFFAOYSA-N 0 3 373.837 2.102 20 5 FEBDHN COc1cc(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265937842 329174344 /nfs/dbraw/zinc/17/43/44/329174344.db2.gz IBSMRQNQWCVIFN-UHFFFAOYSA-N 0 3 351.403 2.026 20 5 FEBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCSC1 ZINC000267131335 329294807 /nfs/dbraw/zinc/29/48/07/329294807.db2.gz VQXYMTDWFDUNQF-INIZCTEOSA-N 0 3 366.443 2.401 20 5 FEBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCSC1 ZINC000267131338 329294864 /nfs/dbraw/zinc/29/48/64/329294864.db2.gz VQXYMTDWFDUNQF-MRXNPFEDSA-N 0 3 366.443 2.401 20 5 FEBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267213458 329302972 /nfs/dbraw/zinc/30/29/72/329302972.db2.gz HUCLPVWWVMOIBQ-UHFFFAOYSA-N 0 3 372.267 2.192 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267340201 329316538 /nfs/dbraw/zinc/31/65/38/329316538.db2.gz SSPIRILMNUJNHG-OAHLLOKOSA-N 0 3 357.863 2.344 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O ZINC000270394324 329597102 /nfs/dbraw/zinc/59/71/02/329597102.db2.gz YQQVNGRDDSKESW-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272496570 329785859 /nfs/dbraw/zinc/78/58/59/329785859.db2.gz KXSHFZNTSPZJIC-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000273508219 329870445 /nfs/dbraw/zinc/87/04/45/329870445.db2.gz KXUDLAGROVKJKG-LBPRGKRZSA-N 0 3 373.450 2.393 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000273512688 329870606 /nfs/dbraw/zinc/87/06/06/329870606.db2.gz OAWLCGLRAKINLJ-GDBMZVCRSA-N 0 3 365.455 2.255 20 5 FEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCOCC(F)F)CC3)nc2c1 ZINC000276227480 330131098 /nfs/dbraw/zinc/13/10/98/330131098.db2.gz MWDMQFPHLHHTDB-UHFFFAOYSA-N 0 3 369.372 2.265 20 5 FEBDHN COCCN1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276515272 330160319 /nfs/dbraw/zinc/16/03/19/330160319.db2.gz BQUXHXZYNAUKMT-UHFFFAOYSA-N 0 3 355.822 2.397 20 5 FEBDHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158573 330273823 /nfs/dbraw/zinc/27/38/23/330273823.db2.gz KAONZHUYWIONEC-BXKDBHETSA-N 0 3 372.219 2.310 20 5 FEBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000158557491 545871636 /nfs/dbraw/zinc/87/16/36/545871636.db2.gz USCCSKYZWXIMIW-NSHDSACASA-N 0 3 359.473 2.294 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000478490337 561168244 /nfs/dbraw/zinc/16/82/44/561168244.db2.gz JRJOAIFMZTUKNG-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000161334374 546121368 /nfs/dbraw/zinc/12/13/68/546121368.db2.gz OJPXRUCWNMNRKI-CQSZACIVSA-N 0 3 355.398 2.139 20 5 FEBDHN O=C(CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177943086 546710854 /nfs/dbraw/zinc/71/08/54/546710854.db2.gz FXQYRNKZJXOTAS-DAYGRLMNSA-N 0 3 358.442 2.340 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1C ZINC000178316580 546774855 /nfs/dbraw/zinc/77/48/55/546774855.db2.gz OHTFHAWCDHRLHZ-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccncc3)CC2)n1 ZINC000481694533 561238793 /nfs/dbraw/zinc/23/87/93/561238793.db2.gz UMVOOBLMXPSXQD-UHFFFAOYSA-N 0 3 356.430 2.317 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc([N+](=O)[O-])c1F ZINC000180061088 547045848 /nfs/dbraw/zinc/04/58/48/547045848.db2.gz ZRXDWVUSKRCTJQ-ZDUSSCGKSA-N 0 3 371.434 2.291 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000181162728 547262076 /nfs/dbraw/zinc/26/20/76/547262076.db2.gz OPNMNGZPTVJOQF-AHIWAGSCSA-N 0 3 360.414 2.029 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CC(N)=O)C1CCCCC1 ZINC000182035258 547426667 /nfs/dbraw/zinc/42/66/67/547426667.db2.gz DAPNZQNSGDXTAY-MRXNPFEDSA-N 0 3 362.430 2.256 20 5 FEBDHN NC(=O)C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067190 547431500 /nfs/dbraw/zinc/43/15/00/547431500.db2.gz MKTFVEQIGCRSAX-IRXDYDNUSA-N 0 3 374.441 2.114 20 5 FEBDHN CCN(CC)C(=O)CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182553172 547512037 /nfs/dbraw/zinc/51/20/37/547512037.db2.gz WPCPMZGDJKZOPH-UHFFFAOYSA-N 0 3 351.451 2.152 20 5 FEBDHN CN(CCCN1CCN(C)CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182955915 547578750 /nfs/dbraw/zinc/57/87/50/547578750.db2.gz HTBBEBOVZKNGAX-UHFFFAOYSA-N 0 3 373.457 2.319 20 5 FEBDHN C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000183295871 547635189 /nfs/dbraw/zinc/63/51/89/547635189.db2.gz KVCOKEAHOCHMPV-GFCCVEGCSA-N 0 3 359.423 2.277 20 5 FEBDHN Cc1ccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000183441867 547660454 /nfs/dbraw/zinc/66/04/54/547660454.db2.gz OCBAXQUQEXALPC-SFHVURJKSA-N 0 3 369.421 2.400 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183459275 547664269 /nfs/dbraw/zinc/66/42/69/547664269.db2.gz HQEVWEKIZTWOQC-RVSPLBMKSA-N 0 3 365.430 2.280 20 5 FEBDHN CCN1CCN(c2cccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)c2)CC1 ZINC000184263154 547797157 /nfs/dbraw/zinc/79/71/57/547797157.db2.gz BLALBFFLSMXYEV-UHFFFAOYSA-N 0 3 372.429 2.031 20 5 FEBDHN Cc1cc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184613307 547854782 /nfs/dbraw/zinc/85/47/82/547854782.db2.gz YBDSNEKYBYUSEZ-UHFFFAOYSA-N 0 3 363.462 2.441 20 5 FEBDHN COC(=O)c1cc(N[C@H](C)CCN2CCN(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000184828356 547884532 /nfs/dbraw/zinc/88/45/32/547884532.db2.gz VJUVREPAIRAJHF-CQSZACIVSA-N 0 3 364.446 2.128 20 5 FEBDHN CN1CCCC12CCN(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CC2 ZINC000485167092 561314205 /nfs/dbraw/zinc/31/42/05/561314205.db2.gz LYGAPMAXOSZULU-UHFFFAOYSA-N 0 3 353.444 2.063 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000185282262 547964829 /nfs/dbraw/zinc/96/48/29/547964829.db2.gz LCWXHGXICRXFQJ-DOMZBBRYSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000186649789 548166004 /nfs/dbraw/zinc/16/60/04/548166004.db2.gz KVTMAGUWKIAXNP-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN CCN1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194627983 548507987 /nfs/dbraw/zinc/50/79/87/548507987.db2.gz SBIYLTSPUKPQKQ-MRXNPFEDSA-N 0 3 360.458 2.412 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCCN(C)C ZINC000194962003 548556210 /nfs/dbraw/zinc/55/62/10/548556210.db2.gz RNEZKEDUCAUMQS-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246114045 549055855 /nfs/dbraw/zinc/05/58/55/549055855.db2.gz ILAWRDCIHDWZDI-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000247042642 549271339 /nfs/dbraw/zinc/27/13/39/549271339.db2.gz MUSIXMJEYFMABT-HOCLYGCPSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247230042 549303281 /nfs/dbraw/zinc/30/32/81/549303281.db2.gz RYTUYUMTQLDJTR-BBRMVZONSA-N 0 3 371.441 2.420 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249659172 549615246 /nfs/dbraw/zinc/61/52/46/549615246.db2.gz VVCWICDKCQEHEK-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN N[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1c1ccccc1 ZINC000261880165 549766033 /nfs/dbraw/zinc/76/60/33/549766033.db2.gz YJCNPGJUBFFCIR-OTWHNJEPSA-N 0 3 366.421 2.127 20 5 FEBDHN COc1ccc(OCCN2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064079 /nfs/dbraw/zinc/06/40/79/550064079.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 0 3 361.402 2.288 20 5 FEBDHN COc1ccc(OCCN2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064081 /nfs/dbraw/zinc/06/40/81/550064081.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 0 3 361.402 2.288 20 5 FEBDHN COc1ccc(OCCN2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064083 /nfs/dbraw/zinc/06/40/83/550064083.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 0 3 361.402 2.288 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H]2COCC[C@@H]21 ZINC000268971349 550139014 /nfs/dbraw/zinc/13/90/14/550139014.db2.gz MXFOTBAECFWNNI-HOTGVXAUSA-N 0 3 365.455 2.438 20 5 FEBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269808613 550227355 /nfs/dbraw/zinc/22/73/55/550227355.db2.gz GQRHMYMLTRFLKB-CYBMUJFWSA-N 0 3 363.414 2.216 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000270755856 550303877 /nfs/dbraw/zinc/30/38/77/550303877.db2.gz DIBXDVHKUMUADD-GFCCVEGCSA-N 0 3 363.443 2.032 20 5 FEBDHN C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3n[n-]cc3[N+](=O)[O-])cc2)C1 ZINC000270794339 550307352 /nfs/dbraw/zinc/30/73/52/550307352.db2.gz KQGNHRYKUOCXJK-GFCCVEGCSA-N 0 3 359.386 2.291 20 5 FEBDHN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3n[n-]cc3[N+](=O)[O-])cc2)C1 ZINC000270794339 550307353 /nfs/dbraw/zinc/30/73/53/550307353.db2.gz KQGNHRYKUOCXJK-GFCCVEGCSA-N 0 3 359.386 2.291 20 5 FEBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797177 550307990 /nfs/dbraw/zinc/30/79/90/550307990.db2.gz FJJFPMKIRFGPPQ-MJGOQNOKSA-N 0 3 369.421 2.208 20 5 FEBDHN CCc1nn(C)c(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000271328006 550365323 /nfs/dbraw/zinc/36/53/23/550365323.db2.gz VGLKAELRFYQZDN-UHFFFAOYSA-N 0 3 373.457 2.460 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106650 550523279 /nfs/dbraw/zinc/52/32/79/550523279.db2.gz VJLRSFIQPGAVOQ-GRYCIOLGSA-N 0 3 367.402 2.108 20 5 FEBDHN Cc1ccsc1[C@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637510 561473079 /nfs/dbraw/zinc/47/30/79/561473079.db2.gz OVLIGOXUULXBQG-ZFWWWQNUSA-N 0 3 352.412 2.028 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000277480082 550675867 /nfs/dbraw/zinc/67/58/67/550675867.db2.gz IQGGKJNNIAHKEL-ZDUSSCGKSA-N 0 3 351.378 2.246 20 5 FEBDHN C[C@H]1CN(CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCO1 ZINC000277660737 550698025 /nfs/dbraw/zinc/69/80/25/550698025.db2.gz OYUQFPAJUFJYGK-ZDUSSCGKSA-N 0 3 362.430 2.392 20 5 FEBDHN C[C@@H]1CN(CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCO1 ZINC000277660734 550698134 /nfs/dbraw/zinc/69/81/34/550698134.db2.gz OYUQFPAJUFJYGK-CYBMUJFWSA-N 0 3 362.430 2.392 20 5 FEBDHN C[C@@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754045 550710127 /nfs/dbraw/zinc/71/01/27/550710127.db2.gz RTRQPFSODYBJMU-LSDHHAIUSA-N 0 3 364.446 2.456 20 5 FEBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000279133839 550857587 /nfs/dbraw/zinc/85/75/87/550857587.db2.gz WOIKEQHVGVXCJD-HOTGVXAUSA-N 0 3 351.403 2.015 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CN1C1CC1 ZINC000279367791 550882248 /nfs/dbraw/zinc/88/22/48/550882248.db2.gz GQNPVIXWTSRQPC-GHMZBOCLSA-N 0 3 350.394 2.155 20 5 FEBDHN C[C@H]1OCC[C@]12CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969350 550948254 /nfs/dbraw/zinc/94/82/54/550948254.db2.gz YUJKKLYQPZSVKY-LBTNJELSSA-N 0 3 363.414 2.192 20 5 FEBDHN CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000495713777 561490442 /nfs/dbraw/zinc/49/04/42/561490442.db2.gz RXVMDWNUCWCWIS-LSDHHAIUSA-N 0 3 351.472 2.376 20 5 FEBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000281543309 551111445 /nfs/dbraw/zinc/11/14/45/551111445.db2.gz BJYQHXMKAOQFQT-UHFFFAOYSA-N 0 3 372.267 2.190 20 5 FEBDHN CN1CCN(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000281886888 551153299 /nfs/dbraw/zinc/15/32/99/551153299.db2.gz XWQPCDXKCPBMEM-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)n1 ZINC000282868080 551279660 /nfs/dbraw/zinc/27/96/60/551279660.db2.gz VZJNNAMXFQJZDT-INIZCTEOSA-N 0 3 371.441 2.359 20 5 FEBDHN CCOc1ccc([C@@H](C)NCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282885398 551281758 /nfs/dbraw/zinc/28/17/58/551281758.db2.gz VXPGDQUZRNROPF-CQSZACIVSA-N 0 3 368.430 2.202 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000283474307 551372139 /nfs/dbraw/zinc/37/21/39/551372139.db2.gz IROWXUGLEAELJC-HNNXBMFYSA-N 0 3 357.414 2.348 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000498071036 561515349 /nfs/dbraw/zinc/51/53/49/561515349.db2.gz YSHLQHMVMCIMGG-UHFFFAOYSA-N 0 3 365.455 2.036 20 5 FEBDHN C[C@@H]1CCN(C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498709545 561532264 /nfs/dbraw/zinc/53/22/64/561532264.db2.gz KFTJMSKHMOZDGV-OAHLLOKOSA-N 0 3 360.458 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000498887415 561536831 /nfs/dbraw/zinc/53/68/31/561536831.db2.gz GPDRKWMHBWYLSX-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286565348 551900488 /nfs/dbraw/zinc/90/04/88/551900488.db2.gz DOKICWRGPWQRDP-HIFRSBDPSA-N 0 3 353.444 2.151 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000287007263 551951015 /nfs/dbraw/zinc/95/10/15/551951015.db2.gz HRCMXJILVHFJNJ-LRDDRELGSA-N 0 3 361.398 2.080 20 5 FEBDHN C[C@H]1CN(CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCO1 ZINC000287782197 552045786 /nfs/dbraw/zinc/04/57/86/552045786.db2.gz OJLGEUYVDJWEIR-LBPRGKRZSA-N 0 3 361.402 2.156 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360194 552140201 /nfs/dbraw/zinc/14/02/01/552140201.db2.gz KORMROJYSOSPLV-JQWIXIFHSA-N 0 3 361.427 2.298 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000288864686 552227059 /nfs/dbraw/zinc/22/70/59/552227059.db2.gz LHQKZELLPZDGSY-DLBZAZTESA-N 0 3 373.457 2.415 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCCO2)c1 ZINC000289410622 552316355 /nfs/dbraw/zinc/31/63/55/552316355.db2.gz AHFOAAWLDUBPNK-LBPRGKRZSA-N 0 3 362.167 2.468 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000289433915 552320820 /nfs/dbraw/zinc/32/08/20/552320820.db2.gz SKHDGRXLTRGNJI-KRWDZBQOSA-N 0 3 357.410 2.356 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289468106 552326156 /nfs/dbraw/zinc/32/61/56/552326156.db2.gz WQUZAQKDGLDEHY-GOSISDBHSA-N 0 3 367.446 2.345 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000289610499 552349239 /nfs/dbraw/zinc/34/92/39/552349239.db2.gz AOMMEMHOOJNKQZ-UHFFFAOYSA-N 0 3 363.462 2.305 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000290356480 552466289 /nfs/dbraw/zinc/46/62/89/552466289.db2.gz YXLFDXXSHIOCNY-CYBMUJFWSA-N 0 3 362.430 2.086 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000290407429 552474392 /nfs/dbraw/zinc/47/43/92/552474392.db2.gz GAMQYQICKDZHDW-CXAGYDPISA-N 0 3 374.441 2.181 20 5 FEBDHN CN(C)CCN(CCCc1ccccc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290789160 552538622 /nfs/dbraw/zinc/53/86/22/552538622.db2.gz OCAUMRICSUWPRT-UHFFFAOYSA-N 0 3 371.441 2.090 20 5 FEBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290872364 552553244 /nfs/dbraw/zinc/55/32/44/552553244.db2.gz ZUVHVDFCUXHCPX-HNNXBMFYSA-N 0 3 369.425 2.047 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOC[C@H](C2CCC2)C1 ZINC000292077174 552691344 /nfs/dbraw/zinc/69/13/44/552691344.db2.gz FHDCDPRKAZJLNG-HZPDHXFCSA-N 0 3 350.415 2.083 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1C ZINC000292919176 552771263 /nfs/dbraw/zinc/77/12/63/552771263.db2.gz XVOFRDJIECURNK-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293815952 552859124 /nfs/dbraw/zinc/85/91/24/552859124.db2.gz FUKLAKOWMHARLL-QHFGJBOXSA-N 0 3 359.426 2.320 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000293976788 552872432 /nfs/dbraw/zinc/87/24/32/552872432.db2.gz VEVKFBICEBIECY-LSDHHAIUSA-N 0 3 353.806 2.183 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259885 552891958 /nfs/dbraw/zinc/89/19/58/552891958.db2.gz SYMCXQLSVSVOSB-IBGZPJMESA-N 0 3 369.425 2.338 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000294392686 552902678 /nfs/dbraw/zinc/90/26/78/552902678.db2.gz JXYPQCCCBFXMSS-IUODEOHRSA-N 0 3 364.421 2.356 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000295772690 553057197 /nfs/dbraw/zinc/05/71/97/553057197.db2.gz SROGTJBYNVBILI-QGZVFWFLSA-N 0 3 364.442 2.352 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502682836 561623336 /nfs/dbraw/zinc/62/33/36/561623336.db2.gz XFSJUJNJVJFJFU-OAUYIBNBSA-N 0 3 365.405 2.159 20 5 FEBDHN CCCCN1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000502901070 561629366 /nfs/dbraw/zinc/62/93/66/561629366.db2.gz CFBYQJBNWHMFJQ-CYBMUJFWSA-N 0 3 370.475 2.309 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000297155000 553257114 /nfs/dbraw/zinc/25/71/14/553257114.db2.gz GJPBPXCNCJCMJK-UHFFFAOYSA-N 0 3 360.418 2.059 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000503424073 561640991 /nfs/dbraw/zinc/64/09/91/561640991.db2.gz FJIBUMIEGSSMCU-GJZGRUSLSA-N 0 3 369.487 2.320 20 5 FEBDHN COCCN1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299237752 553534833 /nfs/dbraw/zinc/53/48/33/553534833.db2.gz IMYGFOTWNVCMAH-UHFFFAOYSA-N 0 3 364.446 2.014 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000299258902 553538161 /nfs/dbraw/zinc/53/81/61/553538161.db2.gz OEORWYRYGBOIQH-UHFFFAOYSA-N 0 3 371.441 2.054 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299286214 553542581 /nfs/dbraw/zinc/54/25/81/553542581.db2.gz NLWVTWHPXHNDGP-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000299378520 553555500 /nfs/dbraw/zinc/55/55/00/553555500.db2.gz WCYSDWRVVFKCNF-HNNXBMFYSA-N 0 3 355.398 2.111 20 5 FEBDHN Cc1[nH]nc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000504189536 561654416 /nfs/dbraw/zinc/65/44/16/561654416.db2.gz ZPAIRNAVORPLNJ-UHFFFAOYSA-N 0 3 372.429 2.409 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C1 ZINC000301304051 553640587 /nfs/dbraw/zinc/64/05/87/553640587.db2.gz SSUOQFYLPGMWKH-QGZVFWFLSA-N 0 3 355.442 2.359 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000301309799 553641098 /nfs/dbraw/zinc/64/10/98/553641098.db2.gz YDNPKXLGLBTKCV-CQSZACIVSA-N 0 3 355.398 2.165 20 5 FEBDHN O=[N+]([O-])c1c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc2sccn21 ZINC000301840040 553684459 /nfs/dbraw/zinc/68/44/59/553684459.db2.gz ADNKTMMFELIWFK-KGLIPLIRSA-N 0 3 373.438 2.351 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330879787 554182594 /nfs/dbraw/zinc/18/25/94/554182594.db2.gz AYPLQHKYWMNOBO-UONOGXRCSA-N 0 3 355.460 2.254 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1N1CCCC1 ZINC000331922143 554346918 /nfs/dbraw/zinc/34/69/18/554346918.db2.gz JSHWHWUUGDHTOD-IAGOWNOFSA-N 0 3 363.483 2.484 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332013188 554363294 /nfs/dbraw/zinc/36/32/94/554363294.db2.gz PMRKIGYUJSSYSB-ZWNOBZJWSA-N 0 3 355.341 2.362 20 5 FEBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])nn4C)n3)cc21 ZINC000350103557 554760110 /nfs/dbraw/zinc/76/01/10/554760110.db2.gz XBWJIJUUBPRUGM-LBPRGKRZSA-N 0 3 372.366 2.402 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000361503829 554922410 /nfs/dbraw/zinc/92/24/10/554922410.db2.gz PYYZDMYATWKMCJ-COXVUDFISA-N 0 3 374.441 2.350 20 5 FEBDHN CN(C(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000363044920 555017485 /nfs/dbraw/zinc/01/74/85/555017485.db2.gz ZSNSXYDEXOJNFN-UHFFFAOYSA-N 0 3 357.414 2.166 20 5 FEBDHN Cc1cc(NC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000363829071 555194705 /nfs/dbraw/zinc/19/47/05/555194705.db2.gz SSBGEYRALAGTEH-HZPDHXFCSA-N 0 3 362.430 2.356 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(Cc2cccs2)CC1 ZINC000364022024 555235082 /nfs/dbraw/zinc/23/50/82/555235082.db2.gz LSZFWUPJDXIKAC-UHFFFAOYSA-N 0 3 361.427 2.227 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000364058946 555242525 /nfs/dbraw/zinc/24/25/25/555242525.db2.gz IQLFBZROOSRCJI-LBPRGKRZSA-N 0 3 373.862 2.415 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1cccnc1 ZINC000364540481 555332970 /nfs/dbraw/zinc/33/29/70/555332970.db2.gz VPNSGSBSVTUYTD-SJCJKPOMSA-N 0 3 373.388 2.134 20 5 FEBDHN Cc1ccn(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000366764131 555927926 /nfs/dbraw/zinc/92/79/26/555927926.db2.gz UDZAPRIBOBPHFT-MRXNPFEDSA-N 0 3 360.414 2.177 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243055 561965326 /nfs/dbraw/zinc/96/53/26/561965326.db2.gz XFQCFCGKAQGXDW-RTXFEEFZSA-N 0 3 351.403 2.408 20 5 FEBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000367612711 556097272 /nfs/dbraw/zinc/09/72/72/556097272.db2.gz QLGLPNAPXWODHB-OAHLLOKOSA-N 0 3 357.414 2.031 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870257 561984319 /nfs/dbraw/zinc/98/43/19/561984319.db2.gz XUUPTIKZBGRELN-ZBEGNZNMSA-N 0 3 353.369 2.358 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870255 561984341 /nfs/dbraw/zinc/98/43/41/561984341.db2.gz XUUPTIKZBGRELN-MEDUHNTESA-N 0 3 353.369 2.358 20 5 FEBDHN Cc1cc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000368237637 556255384 /nfs/dbraw/zinc/25/53/84/556255384.db2.gz YUUIBGYPXQLHKF-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000368844908 556427841 /nfs/dbraw/zinc/42/78/41/556427841.db2.gz JLTYPSHVBQSDGL-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN CCc1n[nH]c(C(=O)NC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000368915839 556447173 /nfs/dbraw/zinc/44/71/73/556447173.db2.gz OESHQTLNXCLFRA-UHFFFAOYSA-N 0 3 363.443 2.336 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1nnc2n1CCOC2 ZINC000368989723 556469469 /nfs/dbraw/zinc/46/94/69/556469469.db2.gz KDZUOBVZGZRALV-ZFWWWQNUSA-N 0 3 357.414 2.218 20 5 FEBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516288504 562038797 /nfs/dbraw/zinc/03/87/97/562038797.db2.gz IEDLLYWYYWYHES-UHFFFAOYSA-N 0 3 369.365 2.280 20 5 FEBDHN Cc1ccc(OC[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370059386 556769918 /nfs/dbraw/zinc/76/99/18/556769918.db2.gz HXRKNHYDDWETPJ-INIZCTEOSA-N 0 3 360.414 2.177 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370083593 556776214 /nfs/dbraw/zinc/77/62/14/556776214.db2.gz RLDPLKQSQSHMBF-HOTGVXAUSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1ccc(CNCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000517551272 562092249 /nfs/dbraw/zinc/09/22/49/562092249.db2.gz BRGGLSUBLJXDQU-LJQANCHMSA-N 0 3 368.393 2.248 20 5 FEBDHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000371534474 557213571 /nfs/dbraw/zinc/21/35/71/557213571.db2.gz FPBQQBSDEVKBQS-LMMKCTJWSA-N 0 3 372.469 2.289 20 5 FEBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372451885 557474061 /nfs/dbraw/zinc/47/40/61/557474061.db2.gz RRWQENMRQDZTPN-UHFFFAOYSA-N 0 3 355.398 2.373 20 5 FEBDHN O=C(Nc1ccccn1)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722785 557547282 /nfs/dbraw/zinc/54/72/82/557547282.db2.gz BQLKSQDQTHJLMA-RDJZCZTQSA-N 0 3 370.409 2.374 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000373804153 557762748 /nfs/dbraw/zinc/76/27/48/557762748.db2.gz GQXCWSOMYCJFES-WMZOPIPTSA-N 0 3 363.414 2.193 20 5 FEBDHN COc1cccc([C@H]2[C@H](NCc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850212 557940735 /nfs/dbraw/zinc/94/07/35/557940735.db2.gz KVBGPXUPSKFCFU-AEFFLSMTSA-N 0 3 371.441 2.405 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000374852603 557941194 /nfs/dbraw/zinc/94/11/94/557941194.db2.gz CQPRMLMXGVKMBP-LBPRGKRZSA-N 0 3 350.394 2.407 20 5 FEBDHN COc1ccccc1N1CC[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375673962 558065474 /nfs/dbraw/zinc/06/54/74/558065474.db2.gz RROSFBMSDMZVNN-HNNXBMFYSA-N 0 3 359.430 2.401 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@]3(CCCCO3)C2)c1 ZINC000376043350 558118263 /nfs/dbraw/zinc/11/82/63/558118263.db2.gz PRTMWJMVXOUSKA-SJLPKXTDSA-N 0 3 350.415 2.370 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@]3(CCCCO3)C2)c1 ZINC000376043348 558118290 /nfs/dbraw/zinc/11/82/90/558118290.db2.gz PRTMWJMVXOUSKA-FUHWJXTLSA-N 0 3 350.415 2.370 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1C ZINC000376534437 558186405 /nfs/dbraw/zinc/18/64/05/558186405.db2.gz GSADHSXMJNGJFW-CQSZACIVSA-N 0 3 353.444 2.070 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000377168189 558280757 /nfs/dbraw/zinc/28/07/57/558280757.db2.gz JTJCGVYESSRDBF-JQFCIGGWSA-N 0 3 374.441 2.350 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000522595853 562200105 /nfs/dbraw/zinc/20/01/05/562200105.db2.gz GEHUILBIOVEGAS-INIZCTEOSA-N 0 3 359.430 2.254 20 5 FEBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CN2CCC1CC2 ZINC000522675252 562201526 /nfs/dbraw/zinc/20/15/26/562201526.db2.gz KLCITIAWSZTXAE-MRXNPFEDSA-N 0 3 356.382 2.015 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408375864 558672014 /nfs/dbraw/zinc/67/20/14/558672014.db2.gz UNEKYKMVGXLKKE-KGLIPLIRSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524780776 562234665 /nfs/dbraw/zinc/23/46/65/562234665.db2.gz NAAUPNAYQNUFEF-UKRRQHHQSA-N 0 3 350.419 2.098 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000524805335 562235456 /nfs/dbraw/zinc/23/54/56/562235456.db2.gz WKINZFQCRQPMAV-HNNXBMFYSA-N 0 3 363.462 2.441 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411258985 558862255 /nfs/dbraw/zinc/86/22/55/558862255.db2.gz AEVKJNMCAUSEJH-MRXNPFEDSA-N 0 3 374.441 2.222 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCCC[C@H]2C)c1F ZINC000411411016 558890019 /nfs/dbraw/zinc/89/00/19/558890019.db2.gz FIRWUVDZULHHKY-GFCCVEGCSA-N 0 3 353.394 2.276 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000411469219 558900213 /nfs/dbraw/zinc/90/02/13/558900213.db2.gz GBEMLQPPVAPNHL-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN CN(C)C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000411907719 558986225 /nfs/dbraw/zinc/98/62/25/558986225.db2.gz GOTTUYXHLDKTPE-ZDUSSCGKSA-N 0 3 358.398 2.074 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416307393 559304732 /nfs/dbraw/zinc/30/47/32/559304732.db2.gz KPRVSRDLNUOGRB-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN CCN(CC)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416359084 559307393 /nfs/dbraw/zinc/30/73/93/559307393.db2.gz IDIIODLXJLZXJX-UHFFFAOYSA-N 0 3 369.365 2.234 20 5 FEBDHN C[N@H+](CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416502164 559318121 /nfs/dbraw/zinc/31/81/21/559318121.db2.gz OUIBTBDWSGJAFH-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN C[N@@H+](CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416502164 559318122 /nfs/dbraw/zinc/31/81/22/559318122.db2.gz OUIBTBDWSGJAFH-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c1C ZINC000416569830 559322443 /nfs/dbraw/zinc/32/24/43/559322443.db2.gz YUTLIZJOARLDJT-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416658939 559328199 /nfs/dbraw/zinc/32/81/99/559328199.db2.gz GVAHARIZVVKKEW-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1CCO ZINC000419338567 559438155 /nfs/dbraw/zinc/43/81/55/559438155.db2.gz LJICXLLJDUJAHX-GJZGRUSLSA-N 0 3 374.441 2.179 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420406629 559486185 /nfs/dbraw/zinc/48/61/85/559486185.db2.gz RGRPSMRBYZVDSR-GOEBONIOSA-N 0 3 372.400 2.408 20 5 FEBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCC1CCN(c2ccncc2)CC1 ZINC000420601276 559493669 /nfs/dbraw/zinc/49/36/69/559493669.db2.gz GGLMBZGUJBXPNG-UHFFFAOYSA-N 0 3 355.398 2.417 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421775550 559553115 /nfs/dbraw/zinc/55/31/15/559553115.db2.gz XQQMYLHSKFGIKT-AWEZNQCLSA-N 0 3 362.474 2.215 20 5 FEBDHN CC[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000422123045 559566557 /nfs/dbraw/zinc/56/65/57/559566557.db2.gz RCFFOMMDXKFNAB-LLVKDONJSA-N 0 3 350.156 2.060 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489413 559630108 /nfs/dbraw/zinc/63/01/08/559630108.db2.gz WLQJUHZBYJXOGE-KGLIPLIRSA-N 0 3 351.357 2.005 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424015154 559651218 /nfs/dbraw/zinc/65/12/18/559651218.db2.gz YIQVPYOKXAWXON-LSDHHAIUSA-N 0 3 359.357 2.309 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000424467973 559666502 /nfs/dbraw/zinc/66/65/02/559666502.db2.gz OBIFUNVZOXFUCA-UHFFFAOYSA-N 0 3 370.409 2.002 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000425479554 559704446 /nfs/dbraw/zinc/70/44/46/559704446.db2.gz PXIYJSWYJQFLCU-YPMHNXCESA-N 0 3 359.220 2.234 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000427142989 559748850 /nfs/dbraw/zinc/74/88/50/559748850.db2.gz LJKCWLDDZYZXQB-SFHVURJKSA-N 0 3 361.442 2.241 20 5 FEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000427153973 559749245 /nfs/dbraw/zinc/74/92/45/559749245.db2.gz UPVUIPKXODOJME-QGZVFWFLSA-N 0 3 365.405 2.451 20 5 FEBDHN COc1cccc(NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000431512122 559840621 /nfs/dbraw/zinc/84/06/21/559840621.db2.gz DHHDFMZYEHLPIT-UHFFFAOYSA-N 0 3 350.419 2.008 20 5 FEBDHN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000439481659 559995469 /nfs/dbraw/zinc/99/54/69/559995469.db2.gz KWAHYYYOBFHIAE-SUMWQHHRSA-N 0 3 350.419 2.235 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440417221 560010770 /nfs/dbraw/zinc/01/07/70/560010770.db2.gz CDVQUSYYAKVLNG-NSHDSACASA-N 0 3 365.411 2.102 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000444924695 560124909 /nfs/dbraw/zinc/12/49/09/560124909.db2.gz UDIFFBYNSIHCDW-CQSZACIVSA-N 0 3 366.418 2.178 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234635 560221382 /nfs/dbraw/zinc/22/13/82/560221382.db2.gz QXZAHHNDBWUHAC-HOCLYGCPSA-N 0 3 371.441 2.040 20 5 FEBDHN CC[C@@H](C)N1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449629021 560235094 /nfs/dbraw/zinc/23/50/94/560235094.db2.gz JXAXSCAQNHURKI-CQSZACIVSA-N 0 3 365.430 2.063 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149181 560252247 /nfs/dbraw/zinc/25/22/47/560252247.db2.gz VETJWJJDDHSVTR-SJKOYZFVSA-N 0 3 357.414 2.443 20 5 FEBDHN CC[C@@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000450310181 560258002 /nfs/dbraw/zinc/25/80/02/560258002.db2.gz CPUTZIRHNOLZLG-UONOGXRCSA-N 0 3 374.441 2.433 20 5 FEBDHN Cc1cc(N[C@@H](CO)CN2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450522374 560264922 /nfs/dbraw/zinc/26/49/22/560264922.db2.gz XGASVVZUESWRIG-MRXNPFEDSA-N 0 3 371.441 2.041 20 5 FEBDHN COc1ccc(OCCN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451700962 560323063 /nfs/dbraw/zinc/32/30/63/560323063.db2.gz YZTLGRPMIIZWHH-ILXRZTDVSA-N 0 3 350.415 2.465 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452386278 560362266 /nfs/dbraw/zinc/36/22/66/560362266.db2.gz WQCKOJGTWWMTSS-IRXDYDNUSA-N 0 3 363.458 2.127 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707286 560642308 /nfs/dbraw/zinc/64/23/08/560642308.db2.gz PKVGBWPSUAJPDX-CYBMUJFWSA-N 0 3 360.418 2.095 20 5 FEBDHN CC(C)CN(Cc1cnn(C)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459591721 560696306 /nfs/dbraw/zinc/69/63/06/560696306.db2.gz LEPPAXXNHKLPSM-KRWDZBQOSA-N 0 3 362.430 2.226 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459767611 560707304 /nfs/dbraw/zinc/70/73/04/560707304.db2.gz ANUHJRPOIZKHEB-YTQUADARSA-N 0 3 364.442 2.208 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000467053238 560902554 /nfs/dbraw/zinc/90/25/54/560902554.db2.gz GOBOPMAMEGICQG-NWDGAFQWSA-N 0 3 359.473 2.070 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2ncc[nH]2)CC1 ZINC000467153244 560905106 /nfs/dbraw/zinc/90/51/06/560905106.db2.gz USWABRKCEOZJNY-UHFFFAOYSA-N 0 3 371.397 2.496 20 5 FEBDHN C[C@H](C(=O)NCCCN1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105886 560974594 /nfs/dbraw/zinc/97/45/94/560974594.db2.gz RIYNAVJCNBKPJI-KGLIPLIRSA-N 0 3 367.421 2.455 20 5 FEBDHN C[C@H](C(=O)NCCCN1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105885 560974619 /nfs/dbraw/zinc/97/46/19/560974619.db2.gz RIYNAVJCNBKPJI-KBPBESRZSA-N 0 3 367.421 2.455 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccsc1 ZINC000473167779 561043349 /nfs/dbraw/zinc/04/33/49/561043349.db2.gz SRXXNFFSWQQVBO-CQSZACIVSA-N 0 3 365.411 2.317 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345187 561071786 /nfs/dbraw/zinc/07/17/86/561071786.db2.gz AFPBWEPQHMMSKE-CSMYWGQOSA-N 0 3 364.398 2.050 20 5 FEBDHN COC(=O)COc1ccc(CN(C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000475131169 561091178 /nfs/dbraw/zinc/09/11/78/561091178.db2.gz TWPSDCJWEXRUAL-AWEZNQCLSA-N 0 3 352.387 2.148 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476812851 561129013 /nfs/dbraw/zinc/12/90/13/561129013.db2.gz DIAUCVXIXSAVIH-HNNXBMFYSA-N 0 3 359.430 2.215 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000477006945 561134138 /nfs/dbraw/zinc/13/41/38/561134138.db2.gz BACXNSBDZKPGOM-ABAIWWIYSA-N 0 3 363.443 2.203 20 5 FEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCC1 ZINC000530715162 562421543 /nfs/dbraw/zinc/42/15/43/562421543.db2.gz QVOREWDABPXEHS-UHFFFAOYSA-N 0 3 363.414 2.312 20 5 FEBDHN COc1cc(CCNC(=O)CN2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291434 562441004 /nfs/dbraw/zinc/44/10/04/562441004.db2.gz XRPWUTUXBLSYPR-STQMWFEESA-N 0 3 365.430 2.144 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531511712 562448259 /nfs/dbraw/zinc/44/82/59/562448259.db2.gz RNXFOYSPKBDTPF-UHFFFAOYSA-N 0 3 361.354 2.121 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139079 562468427 /nfs/dbraw/zinc/46/84/27/562468427.db2.gz RLBNHKJBMUVDDC-UHFFFAOYSA-N 0 3 364.352 2.472 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000541056347 562601553 /nfs/dbraw/zinc/60/15/53/562601553.db2.gz WYVYBYWYOPCKAA-MRXNPFEDSA-N 0 3 365.430 2.463 20 5 FEBDHN COC(=O)c1nn(C)c(C)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569300373 568345463 /nfs/dbraw/zinc/34/54/63/568345463.db2.gz VZVDPONDHZUJDN-UHFFFAOYSA-N 0 3 371.397 2.237 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823630540 599059266 /nfs/dbraw/zinc/05/92/66/599059266.db2.gz ZTMAHWRVUDISNO-CYBMUJFWSA-N 0 3 357.418 2.087 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823630540 599059269 /nfs/dbraw/zinc/05/92/69/599059269.db2.gz ZTMAHWRVUDISNO-CYBMUJFWSA-N 0 3 357.418 2.087 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920865 674427960 /nfs/dbraw/zinc/42/79/60/674427960.db2.gz PNPSDNDFPYTEOE-DZGCQCFKSA-N 0 3 355.460 2.368 20 5 FEBDHN CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222105 606185865 /nfs/dbraw/zinc/18/58/65/606185865.db2.gz OROULMLLLUFJEP-LBPRGKRZSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222105 606185866 /nfs/dbraw/zinc/18/58/66/606185866.db2.gz OROULMLLLUFJEP-LBPRGKRZSA-N 0 3 356.390 2.055 20 5 FEBDHN CCCN(CCN1CCCC1)c1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000561358732 674659869 /nfs/dbraw/zinc/65/98/69/674659869.db2.gz KDLHXKCHIJOVON-UHFFFAOYSA-N 0 3 350.419 2.479 20 5 FEBDHN CCOC1CC(N(C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000561986636 674713202 /nfs/dbraw/zinc/71/32/02/674713202.db2.gz VWUFJMKCAMVDSG-UHFFFAOYSA-N 0 3 352.387 2.146 20 5 FEBDHN CC(COC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)[N+](=O)[O-] ZINC000813108353 674720438 /nfs/dbraw/zinc/72/04/38/674720438.db2.gz DOEFQGNJZTZUGQ-VIFPVBQESA-N 0 3 350.352 2.403 20 5 FEBDHN CC(COC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)[N+](=O)[O-] ZINC000813108352 674720669 /nfs/dbraw/zinc/72/06/69/674720669.db2.gz DOEFQGNJZTZUGQ-SECBINFHSA-N 0 3 350.352 2.403 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000065977924 670436049 /nfs/dbraw/zinc/43/60/49/670436049.db2.gz JYTLQNBUCBDZGA-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000083991608 670663761 /nfs/dbraw/zinc/66/37/61/670663761.db2.gz MKORNCYPJMNSBF-NSHDSACASA-N 0 3 361.851 2.177 20 5 FEBDHN CC(COC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)[N+](=O)[O-] ZINC000817740081 675166409 /nfs/dbraw/zinc/16/64/09/675166409.db2.gz VERDQTWGJFTOFX-VIFPVBQESA-N 0 3 351.309 2.461 20 5 FEBDHN CCc1nc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000578350669 671658876 /nfs/dbraw/zinc/65/88/76/671658876.db2.gz TZRWZMLOQZNZDY-UHFFFAOYSA-N 0 3 369.468 2.220 20 5 FEBDHN CO[C@]1(C)C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130254 671784448 /nfs/dbraw/zinc/78/44/48/671784448.db2.gz LJTNUXFMXDMHGE-GDBMZVCRSA-N 0 3 356.444 2.162 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132362943 672097258 /nfs/dbraw/zinc/09/72/58/672097258.db2.gz BKDOEZVQGOYZBT-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590445081 672583494 /nfs/dbraw/zinc/58/34/94/672583494.db2.gz QEBYRVMGRWEFPW-WFASDCNBSA-N 0 3 365.455 2.109 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000594027230 673022475 /nfs/dbraw/zinc/02/24/75/673022475.db2.gz SSUYFQGKWYNEJL-GOEBONIOSA-N 0 3 350.415 2.368 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000594198719 673042962 /nfs/dbraw/zinc/04/29/62/673042962.db2.gz VIZVKSPSZAUUCI-UONOGXRCSA-N 0 3 351.378 2.489 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000594854217 673164868 /nfs/dbraw/zinc/16/48/68/673164868.db2.gz FQFGYEIEELDKLK-CYBMUJFWSA-N 0 3 353.444 2.280 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597100208 673447851 /nfs/dbraw/zinc/44/78/51/673447851.db2.gz GPMFHBSUUZPTJV-TVQRCGJNSA-N 0 3 353.810 2.388 20 5 FEBDHN O=[N+]([O-])c1ccc(NC(=S)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000735983940 673510316 /nfs/dbraw/zinc/51/03/16/673510316.db2.gz FRWJZARRKGVJAI-UHFFFAOYSA-N 0 3 364.471 2.336 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1 ZINC000598573868 673585309 /nfs/dbraw/zinc/58/53/09/673585309.db2.gz QCINXVUMLPQLFI-ZDUSSCGKSA-N 0 3 356.220 2.427 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598601935 673588274 /nfs/dbraw/zinc/58/82/74/673588274.db2.gz QOJXRQSHXISXLE-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000598602260 673588734 /nfs/dbraw/zinc/58/87/34/673588734.db2.gz ILTANDHGYICRAH-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000740894710 673660099 /nfs/dbraw/zinc/66/00/99/673660099.db2.gz VSHLHQCEXPCIAZ-VXGBXAGGSA-N 0 3 359.423 2.227 20 5 FEBDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000544598676 673719830 /nfs/dbraw/zinc/71/98/30/673719830.db2.gz JKSXFBURMUOZNC-UHFFFAOYSA-N 0 3 361.851 2.355 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000546093760 673791834 /nfs/dbraw/zinc/79/18/34/673791834.db2.gz ZWYMKUJUPDOZTR-ZIAGYGMSSA-N 0 3 355.460 2.277 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000546776433 673817632 /nfs/dbraw/zinc/81/76/32/673817632.db2.gz FNKUMNSTYORHAG-DZGCQCFKSA-N 0 3 355.460 2.229 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372047 673850486 /nfs/dbraw/zinc/85/04/86/673850486.db2.gz QMEMYIPOGBKCOP-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375554 673851143 /nfs/dbraw/zinc/85/11/43/673851143.db2.gz XPJRTNURKPBGLM-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN CSc1cccc(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000548599488 673978735 /nfs/dbraw/zinc/97/87/35/673978735.db2.gz CACRSRSPQBAFAG-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCC3CS(=O)(=O)C3)cs2)c1 ZINC000615728145 676225398 /nfs/dbraw/zinc/22/53/98/676225398.db2.gz FRDCRDGWSVEZDH-UHFFFAOYSA-N 0 3 367.452 2.243 20 5 FEBDHN CC(COC(=O)c1ccc(I)cc1F)[N+](=O)[O-] ZINC000835457676 680335121 /nfs/dbraw/zinc/33/51/21/680335121.db2.gz YNUKGKZFJVXPQM-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)COC1CCC(NC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000835453944 680334661 /nfs/dbraw/zinc/33/46/61/680334661.db2.gz IMKLEXWSWKAWCV-PNESKVBLSA-N 0 3 360.407 2.047 20 5 FEBDHN CC(COC(=O)COC1CCC(NC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000835453942 680334811 /nfs/dbraw/zinc/33/48/11/680334811.db2.gz IMKLEXWSWKAWCV-HIFPTAJRSA-N 0 3 360.407 2.047 20 5 FEBDHN CC(COC(=O)c1ccc(I)cc1F)[N+](=O)[O-] ZINC000835457675 680335058 /nfs/dbraw/zinc/33/50/58/680335058.db2.gz YNUKGKZFJVXPQM-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000836541541 680481130 /nfs/dbraw/zinc/48/11/30/680481130.db2.gz GUGZOOXVQFSTAQ-VXGBXAGGSA-N 0 3 353.806 2.150 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836627197 680491812 /nfs/dbraw/zinc/49/18/12/680491812.db2.gz JSTYDOXPAZLATI-GFCCVEGCSA-N 0 3 355.822 2.397 20 5 FEBDHN COc1cc(Cl)ccc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002786531 680507911 /nfs/dbraw/zinc/50/79/11/680507911.db2.gz BIUYWGHBTGHXLT-HUUCEWRRSA-N 0 3 367.833 2.094 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)cc1Cl ZINC000836791794 680514549 /nfs/dbraw/zinc/51/45/49/680514549.db2.gz ZDZVCZUDJRQGAV-LBPRGKRZSA-N 0 3 355.822 2.133 20 5 FEBDHN Cc1cc(F)cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000771582253 681060777 /nfs/dbraw/zinc/06/07/77/681060777.db2.gz LKJWMYYEKWFDIA-AWEZNQCLSA-N 0 3 351.378 2.025 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845507758 681133787 /nfs/dbraw/zinc/13/37/87/681133787.db2.gz DITOGPRUEJXKAN-CYBMUJFWSA-N 0 3 370.812 2.306 20 5 FEBDHN CC(=O)N1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845872846 681158019 /nfs/dbraw/zinc/15/80/19/681158019.db2.gz PPOXYHJQSPHBCA-BZNIZROVSA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@H](OC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882261 681158959 /nfs/dbraw/zinc/15/89/59/681158959.db2.gz OBGHCUNLOIPYNV-BLTAXRJOSA-N 0 3 352.362 2.367 20 5 FEBDHN COCc1nn(C)cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880074 681159035 /nfs/dbraw/zinc/15/90/35/681159035.db2.gz KSCRNUGFZNARHU-MEBBXXQBSA-N 0 3 351.334 2.269 20 5 FEBDHN CCC[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000776595873 681413119 /nfs/dbraw/zinc/41/31/19/681413119.db2.gz BSWDXXPRUQOQHE-QZTJIDSGSA-N 0 3 351.447 2.061 20 5 FEBDHN CN(C)[S@@](C)(=O)=NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000934758858 681625053 /nfs/dbraw/zinc/62/50/53/681625053.db2.gz HBZSKZACFSMVQA-VWLOTQADSA-N 0 3 368.503 2.424 20 5 FEBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654545 681736636 /nfs/dbraw/zinc/73/66/36/681736636.db2.gz OVGZCXNQHILMEI-CQSZACIVSA-N 0 3 356.810 2.356 20 5 FEBDHN CCCN(CCN(C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781612811 681953173 /nfs/dbraw/zinc/95/31/73/681953173.db2.gz QZAFBOUVAHMAPQ-UHFFFAOYSA-N 0 3 352.391 2.236 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855898236 682723372 /nfs/dbraw/zinc/72/33/72/682723372.db2.gz LMLMVDSXJLYHBT-LLVKDONJSA-N 0 3 363.443 2.450 20 5 FEBDHN COCCN1CCC[C@H]1COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000861036259 683335401 /nfs/dbraw/zinc/33/54/01/683335401.db2.gz ZFOIRLJSCRDJJS-OCCSQVGLSA-N 0 3 354.378 2.491 20 5 FEBDHN C[C@H]1[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000928430960 683450036 /nfs/dbraw/zinc/45/00/36/683450036.db2.gz KHLLQHXXMKQBLT-JOYOIKCWSA-N 0 3 356.220 2.109 20 5 FEBDHN COc1cc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000922752605 683777432 /nfs/dbraw/zinc/77/74/32/683777432.db2.gz SSKKAOAYHWVMJW-ZDUSSCGKSA-N 0 3 351.325 2.281 20 5 FEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308472 684243606 /nfs/dbraw/zinc/24/36/06/684243606.db2.gz KBLLXHDEZMYQSZ-KWQFWETISA-N 0 3 365.814 2.100 20 5 FEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309184 684244231 /nfs/dbraw/zinc/24/42/31/684244231.db2.gz RDRIZMKOVBQKIE-GZMMTYOYSA-N 0 3 365.814 2.100 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNCCC23CCC3)cc1C ZINC000883478544 687643256 /nfs/dbraw/zinc/64/32/56/687643256.db2.gz NAOJQZBXOIBZJQ-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN CN(C)CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000898017889 690115498 /nfs/dbraw/zinc/11/54/98/690115498.db2.gz WFXFTVOFFLCYNE-UHFFFAOYSA-N 0 3 370.247 2.452 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979170 722100723 /nfs/dbraw/zinc/10/07/23/722100723.db2.gz HGASRGJUXSEYSE-FUHWJXTLSA-N 0 3 369.425 2.112 20 5 FEBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834795 889097098 /nfs/dbraw/zinc/09/70/98/889097098.db2.gz UYXMBEMSOICVLV-YPMHNXCESA-N 0 3 361.402 2.484 20 5 FEBDHN O=C(CN1CCN(C2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027119916 539801071 /nfs/dbraw/zinc/80/10/71/539801071.db2.gz HIPMXOQXJZJQOK-UHFFFAOYSA-N 0 3 358.442 2.044 20 5 FEBDHN Cc1c(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000041876052 540037653 /nfs/dbraw/zinc/03/76/53/540037653.db2.gz SIWMGCMXBMDKSJ-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000047213299 540297115 /nfs/dbraw/zinc/29/71/15/540297115.db2.gz ZHPORMUHSNDKGG-KBPBESRZSA-N 0 3 372.429 2.026 20 5 FEBDHN CC(C)(C)NC(=O)CN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052072008 540453081 /nfs/dbraw/zinc/45/30/81/540453081.db2.gz PQLNRPNKWVVCCQ-UHFFFAOYSA-N 0 3 362.474 2.060 20 5 FEBDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862432 540494889 /nfs/dbraw/zinc/49/48/89/540494889.db2.gz HIEVGHHEEPJQRV-ZDUSSCGKSA-N 0 3 359.386 2.494 20 5 FEBDHN CNS(=O)(=O)c1ccc(N[C@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981049 540619543 /nfs/dbraw/zinc/61/95/43/540619543.db2.gz FHEOGOUHEBVLSS-QWHCGFSZSA-N 0 3 370.475 2.035 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067142163 541423064 /nfs/dbraw/zinc/42/30/64/541423064.db2.gz HCROATWRFKDWBY-UHFFFAOYSA-N 0 3 355.398 2.137 20 5 FEBDHN CCOc1cc(C(=O)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341459 541579098 /nfs/dbraw/zinc/57/90/98/541579098.db2.gz PPLSKIMXKSVVHK-LBPRGKRZSA-N 0 3 351.403 2.168 20 5 FEBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000543449397 541594185 /nfs/dbraw/zinc/59/41/85/541594185.db2.gz KFSJVDPQZWHXPN-UHFFFAOYSA-N 0 3 372.267 2.110 20 5 FEBDHN Cc1c(C(=O)N2CCCN(C(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068801486 541630461 /nfs/dbraw/zinc/63/04/61/541630461.db2.gz KMPWBHYOFOYKAN-UHFFFAOYSA-N 0 3 372.429 2.040 20 5 FEBDHN COc1cc(OCC(=O)NCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000068882376 541636705 /nfs/dbraw/zinc/63/67/05/541636705.db2.gz WZRHNNVVEQLVEO-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN Cn1cc(CNCCOC[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068993166 541646527 /nfs/dbraw/zinc/64/65/27/541646527.db2.gz SBFZOUNCYYJONO-AWEZNQCLSA-N 0 3 360.414 2.138 20 5 FEBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000071063404 541762075 /nfs/dbraw/zinc/76/20/75/541762075.db2.gz SDCPAZLTXIWPTD-MRXNPFEDSA-N 0 3 355.394 2.364 20 5 FEBDHN Cc1c(Br)c(NCCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000544410147 541765513 /nfs/dbraw/zinc/76/55/13/541765513.db2.gz ZZRQLZPZYWIPBB-UHFFFAOYSA-N 0 3 372.267 2.110 20 5 FEBDHN Cc1c(NC(=O)CCNC2(CO)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000074326163 542070532 /nfs/dbraw/zinc/07/05/32/542070532.db2.gz QVEOVNRQOHGQJZ-UHFFFAOYSA-N 0 3 369.421 2.351 20 5 FEBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898752 542214179 /nfs/dbraw/zinc/21/41/79/542214179.db2.gz BECHKYATCMYMMA-MJGOQNOKSA-N 0 3 360.410 2.390 20 5 FEBDHN CN(C)CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075986298 542222289 /nfs/dbraw/zinc/22/22/89/542222289.db2.gz GVILVQGOKNHBLD-UHFFFAOYSA-N 0 3 369.853 2.396 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000077450230 542383598 /nfs/dbraw/zinc/38/35/98/542383598.db2.gz GSHUTCWQQKMIMH-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080095053 542563868 /nfs/dbraw/zinc/56/38/68/542563868.db2.gz HIXWFESRPULEOI-ZDUSSCGKSA-N 0 3 350.419 2.066 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000080543917 542594561 /nfs/dbraw/zinc/59/45/61/542594561.db2.gz HTFCKTLIGDQDEQ-SFHVURJKSA-N 0 3 350.463 2.425 20 5 FEBDHN Cc1n[nH]c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000084365128 542711832 /nfs/dbraw/zinc/71/18/32/542711832.db2.gz YVCHOQDLAFPSIS-UHFFFAOYSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000084365128 542711835 /nfs/dbraw/zinc/71/18/35/542711835.db2.gz YVCHOQDLAFPSIS-UHFFFAOYSA-N 0 3 357.414 2.363 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000087357096 542744765 /nfs/dbraw/zinc/74/47/65/542744765.db2.gz JPIWIMLCUZAFOL-SFHVURJKSA-N 0 3 374.485 2.013 20 5 FEBDHN NC(=O)c1cc(OC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000093261581 542922067 /nfs/dbraw/zinc/92/20/67/542922067.db2.gz RZYHYYNXTVCVOI-UHFFFAOYSA-N 0 3 370.409 2.175 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094134426 542953874 /nfs/dbraw/zinc/95/38/74/542953874.db2.gz BRRGKLUHOINCCR-OAHLLOKOSA-N 0 3 362.474 2.276 20 5 FEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000108341971 543287153 /nfs/dbraw/zinc/28/71/53/543287153.db2.gz PMGUUJQUDAUIOW-VXGBXAGGSA-N 0 3 355.822 2.474 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000108605438 543297442 /nfs/dbraw/zinc/29/74/42/543297442.db2.gz VCKSCLDFEYQHHL-OLZOCXBDSA-N 0 3 363.414 2.232 20 5 FEBDHN COc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000109070871 543312991 /nfs/dbraw/zinc/31/29/91/543312991.db2.gz CRJZVPOMEUYOHK-CQSZACIVSA-N 0 3 373.413 2.161 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986261 543345456 /nfs/dbraw/zinc/34/54/56/543345456.db2.gz NRVVQLGPMQIZQI-LBPRGKRZSA-N 0 3 358.398 2.041 20 5 FEBDHN CCN1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110815726 543369411 /nfs/dbraw/zinc/36/94/11/543369411.db2.gz ITVMXHFGDHCCSS-UHFFFAOYSA-N 0 3 357.414 2.163 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1C ZINC000115585500 543575857 /nfs/dbraw/zinc/57/58/57/543575857.db2.gz AMHSIMOKVQAGPG-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552158163 674191855 /nfs/dbraw/zinc/19/18/55/674191855.db2.gz DSPFGRUCIWHFPG-GJZGRUSLSA-N 0 3 367.471 2.090 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372140 543607968 /nfs/dbraw/zinc/60/79/68/543607968.db2.gz CGMPMHSKKFHDAZ-OAHLLOKOSA-N 0 3 373.475 2.248 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869295 543728501 /nfs/dbraw/zinc/72/85/01/543728501.db2.gz KJLSRYHFMVEZOK-NWDGAFQWSA-N 0 3 351.403 2.167 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000126892070 543961583 /nfs/dbraw/zinc/96/15/83/543961583.db2.gz QAHMLTCJZOJGDO-MRXNPFEDSA-N 0 3 373.409 2.457 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135541964 544352078 /nfs/dbraw/zinc/35/20/78/544352078.db2.gz OHNZEUFGSRGFFJ-INIZCTEOSA-N 0 3 369.425 2.378 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c(Cl)c1 ZINC000146234253 544438834 /nfs/dbraw/zinc/43/88/34/544438834.db2.gz RCXVHEPJEOYXES-ZDUSSCGKSA-N 0 3 373.862 2.497 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152856807 544703652 /nfs/dbraw/zinc/70/36/52/544703652.db2.gz TYLAHUYKCMSXAD-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000152884290 544706120 /nfs/dbraw/zinc/70/61/20/544706120.db2.gz HGGGPXOKZYKHJK-DGCLKSJQSA-N 0 3 373.862 2.353 20 5 FEBDHN COc1cc(CN2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184218608 327856731 /nfs/dbraw/zinc/85/67/31/327856731.db2.gz RVSYPUXCOFENOG-UHFFFAOYSA-N 0 3 367.421 2.287 20 5 FEBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186250218 327953745 /nfs/dbraw/zinc/95/37/45/327953745.db2.gz ITNQMWBNDVSFPK-CQSZACIVSA-N 0 3 372.429 2.170 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000186656672 327973481 /nfs/dbraw/zinc/97/34/81/327973481.db2.gz LBXFTPSDBYBMMJ-CQSZACIVSA-N 0 3 362.430 2.222 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000553893503 674292704 /nfs/dbraw/zinc/29/27/04/674292704.db2.gz TZKHBSUHJRJRPK-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN CCN(CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893390 328174319 /nfs/dbraw/zinc/17/43/19/328174319.db2.gz IBGIPABDNUJMSL-ZDUSSCGKSA-N 0 3 355.460 2.166 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000190079680 328186431 /nfs/dbraw/zinc/18/64/31/328186431.db2.gz VVCWICDKCQEHEK-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)n1 ZINC000191531448 328269920 /nfs/dbraw/zinc/26/99/20/328269920.db2.gz FKWSFKZMBXRAAW-CQSZACIVSA-N 0 3 351.451 2.298 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000191816601 328283448 /nfs/dbraw/zinc/28/34/48/328283448.db2.gz PKPONNMXUMEPSJ-YPMHNXCESA-N 0 3 367.377 2.194 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192114679 328300398 /nfs/dbraw/zinc/30/03/98/328300398.db2.gz JITAUASAXZYUCA-DOTOQJQBSA-N 0 3 365.336 2.155 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000090015512 325351571 /nfs/dbraw/zinc/35/15/71/325351571.db2.gz VPPIBSXRGQEPPY-NSHDSACASA-N 0 3 355.441 2.285 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H](N3CCCCC3)C2)cc1 ZINC000108401798 325641711 /nfs/dbraw/zinc/64/17/11/325641711.db2.gz XVVAKCFTDKZLQW-QGZVFWFLSA-N 0 3 367.471 2.375 20 5 FEBDHN CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cnn(C)c1 ZINC000117337878 326058217 /nfs/dbraw/zinc/05/82/17/326058217.db2.gz PRSSVPCAVLBJFI-UHFFFAOYSA-N 0 3 359.386 2.148 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000120724613 326282682 /nfs/dbraw/zinc/28/26/82/326282682.db2.gz ZYZUKISSEVZGQE-WDEREUQCSA-N 0 3 368.821 2.128 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121087966 326312144 /nfs/dbraw/zinc/31/21/44/326312144.db2.gz SRHRDORYWPLEHI-GUYCJALGSA-N 0 3 357.414 2.193 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCCC1 ZINC000122849475 326411577 /nfs/dbraw/zinc/41/15/77/326411577.db2.gz KHVIFWVRSOVGLD-MRXNPFEDSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000126892302 326496852 /nfs/dbraw/zinc/49/68/52/326496852.db2.gz QAHMLTCJZOJGDO-INIZCTEOSA-N 0 3 373.409 2.457 20 5 FEBDHN C[C@@](CO)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000156221780 326822568 /nfs/dbraw/zinc/82/25/68/326822568.db2.gz RETMZMCMOBDYNX-IBGZPJMESA-N 0 3 361.442 2.405 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159623596 326937078 /nfs/dbraw/zinc/93/70/78/326937078.db2.gz PTJYNGONIRILOR-UHFFFAOYSA-N 0 3 351.794 2.175 20 5 FEBDHN CN(C)C(=O)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000162582001 327029211 /nfs/dbraw/zinc/02/92/11/327029211.db2.gz JUKUTCSCTNSRGJ-UHFFFAOYSA-N 0 3 371.441 2.296 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C3CCCCC3)CC2)c1 ZINC000163925857 327061522 /nfs/dbraw/zinc/06/15/22/327061522.db2.gz QDJJPCORHIWJAA-GOSISDBHSA-N 0 3 363.458 2.285 20 5 FEBDHN Cn1cc(CNCCN2CCOC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171766616 327160136 /nfs/dbraw/zinc/16/01/36/327160136.db2.gz ZLMZVHXORYDXTQ-UHFFFAOYSA-N 0 3 373.457 2.196 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](OCCO)C3)o2)c1 ZINC000172301548 327194127 /nfs/dbraw/zinc/19/41/27/327194127.db2.gz DUPRBKBSKZXGOZ-MRXNPFEDSA-N 0 3 361.398 2.266 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1C ZINC000172619137 327212082 /nfs/dbraw/zinc/21/20/82/327212082.db2.gz QRLHOJNGJVEREI-HIFRSBDPSA-N 0 3 357.414 2.335 20 5 FEBDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000174711781 327345032 /nfs/dbraw/zinc/34/50/32/327345032.db2.gz QFMIBTSXRABVGC-UHFFFAOYSA-N 0 3 368.437 2.423 20 5 FEBDHN COc1ccc(NC(=O)CN[C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000174792662 327351533 /nfs/dbraw/zinc/35/15/33/327351533.db2.gz DUJFHYBKSMJUKS-GOSISDBHSA-N 0 3 365.430 2.463 20 5 FEBDHN Cn1cc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177563995 327530751 /nfs/dbraw/zinc/53/07/51/327530751.db2.gz WAJXBXDVJSGNDX-HNNXBMFYSA-N 0 3 371.441 2.484 20 5 FEBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000264266927 329005908 /nfs/dbraw/zinc/00/59/08/329005908.db2.gz QVEQWXLBFNVVSK-UHFFFAOYSA-N 0 3 365.821 2.484 20 5 FEBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000264266927 329005910 /nfs/dbraw/zinc/00/59/10/329005910.db2.gz QVEQWXLBFNVVSK-UHFFFAOYSA-N 0 3 365.821 2.484 20 5 FEBDHN COc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1[O-] ZINC000264541402 329034137 /nfs/dbraw/zinc/03/41/37/329034137.db2.gz QSBSVITZGQPIHJ-UHFFFAOYSA-N 0 3 363.336 2.425 20 5 FEBDHN COC(=O)[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000265090718 329089889 /nfs/dbraw/zinc/08/98/89/329089889.db2.gz UQVQEWULYFECNT-OAHLLOKOSA-N 0 3 362.382 2.236 20 5 FEBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266229056 329202693 /nfs/dbraw/zinc/20/26/93/329202693.db2.gz TXDDTTOZKSJKQI-OAHLLOKOSA-N 0 3 369.425 2.047 20 5 FEBDHN C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183584 329300244 /nfs/dbraw/zinc/30/02/44/329300244.db2.gz NGSQBHMYAGXUAP-BLLLJJGKSA-N 0 3 352.460 2.392 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@@H](C)O1 ZINC000267368900 329319852 /nfs/dbraw/zinc/31/98/52/329319852.db2.gz FKBAIZIYNSQOGE-ZIAGYGMSSA-N 0 3 364.446 2.274 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369637 329320190 /nfs/dbraw/zinc/32/01/90/329320190.db2.gz FUJMOPOLINRSLX-MAUKXSAKSA-N 0 3 371.441 2.208 20 5 FEBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156088 329391401 /nfs/dbraw/zinc/39/14/01/329391401.db2.gz HDOIUUDXJNCSJY-OTYXRUKQSA-N 0 3 362.386 2.332 20 5 FEBDHN CS[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1N(C)C ZINC000270626364 329616418 /nfs/dbraw/zinc/61/64/18/329616418.db2.gz FJYZHJNSJONULU-KGLIPLIRSA-N 0 3 363.443 2.122 20 5 FEBDHN CN(C)C1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000272570756 329792940 /nfs/dbraw/zinc/79/29/40/329792940.db2.gz VUILDOMTNMZMKC-QGZVFWFLSA-N 0 3 373.457 2.118 20 5 FEBDHN C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1=CCN(C)CC1 ZINC000276317625 330140165 /nfs/dbraw/zinc/14/01/65/330140165.db2.gz PMCAZGDPDWFRKX-CYBMUJFWSA-N 0 3 360.414 2.018 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000157306107 545725771 /nfs/dbraw/zinc/72/57/71/545725771.db2.gz OYCGNFITTNSCCM-RDTXWAMCSA-N 0 3 369.425 2.337 20 5 FEBDHN CN1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000478401566 561165943 /nfs/dbraw/zinc/16/59/43/561165943.db2.gz RBCSEPVZKCLPPJ-QZTJIDSGSA-N 0 3 355.394 2.188 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160218626 546017415 /nfs/dbraw/zinc/01/74/15/546017415.db2.gz ISJMHUJCFFQIJO-HIFRSBDPSA-N 0 3 367.471 2.038 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000176050819 546396572 /nfs/dbraw/zinc/39/65/72/546396572.db2.gz GVIAUUMTGUSRAI-WFASDCNBSA-N 0 3 350.419 2.085 20 5 FEBDHN CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2cnccc21 ZINC000176975059 546516750 /nfs/dbraw/zinc/51/67/50/546516750.db2.gz GCZZXNWNPQEUGM-UHFFFAOYSA-N 0 3 368.802 2.288 20 5 FEBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000177347468 546598875 /nfs/dbraw/zinc/59/88/75/546598875.db2.gz SQTSIGJZXLDVJL-CYBMUJFWSA-N 0 3 355.460 2.432 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CC(N)=O)C1CCOCC1 ZINC000181953759 547412045 /nfs/dbraw/zinc/41/20/45/547412045.db2.gz RVEBSJHADCERLX-MRXNPFEDSA-N 0 3 365.430 2.142 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000181958883 547413816 /nfs/dbraw/zinc/41/38/16/547413816.db2.gz KMELUXVLZOCLBA-WMZOPIPTSA-N 0 3 372.421 2.316 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000182960640 547580008 /nfs/dbraw/zinc/58/00/08/547580008.db2.gz MSAUMQCBPQJKBF-WCQYABFASA-N 0 3 359.423 2.003 20 5 FEBDHN C[C@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000183293655 547633927 /nfs/dbraw/zinc/63/39/27/547633927.db2.gz XLLJXVJEKISBON-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000183297999 547634819 /nfs/dbraw/zinc/63/48/19/547634819.db2.gz WPYSEGWYDWDWIR-ZDUSSCGKSA-N 0 3 355.460 2.446 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cnn(C)c1C ZINC000183462251 547665375 /nfs/dbraw/zinc/66/53/75/547665375.db2.gz MYPGCQLYPRVCTL-NSHDSACASA-N 0 3 361.402 2.325 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000183728114 547708478 /nfs/dbraw/zinc/70/84/78/547708478.db2.gz XFJRMUDBQUWWMM-RHSMWYFYSA-N 0 3 369.487 2.129 20 5 FEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617153 561301322 /nfs/dbraw/zinc/30/13/22/561301322.db2.gz MDXZGXVJIWMGQC-VCTAVGKDSA-N 0 3 371.821 2.359 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184297068 547801930 /nfs/dbraw/zinc/80/19/30/547801930.db2.gz TTYPOAYEDLPJFS-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CSc1cccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000485500225 561320481 /nfs/dbraw/zinc/32/04/81/561320481.db2.gz XTJGVRBRONLNIB-YPMHNXCESA-N 0 3 355.485 2.434 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186042887 548076852 /nfs/dbraw/zinc/07/68/52/548076852.db2.gz QVLZBMRORMTWKT-GFCCVEGCSA-N 0 3 369.853 2.396 20 5 FEBDHN COC(=O)c1cc(NC(=O)N(C)CCN2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486874074 561358801 /nfs/dbraw/zinc/35/88/01/561358801.db2.gz WDEXTTQTCDOEIY-UHFFFAOYSA-N 0 3 364.402 2.249 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000237796538 548854647 /nfs/dbraw/zinc/85/46/47/548854647.db2.gz MAJQVWGUCYGHSG-VIFPVBQESA-N 0 3 367.349 2.034 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000246399345 549124612 /nfs/dbraw/zinc/12/46/12/549124612.db2.gz QHZIFJVIEYKWKT-XLIONFOSSA-N 0 3 372.421 2.316 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247230050 549303103 /nfs/dbraw/zinc/30/31/03/549303103.db2.gz RYTUYUMTQLDJTR-XJKSGUPXSA-N 0 3 371.441 2.420 20 5 FEBDHN CC(C)CCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248453348 549440742 /nfs/dbraw/zinc/44/07/42/549440742.db2.gz JXOZPOXZTYBMBG-HZPDHXFCSA-N 0 3 352.431 2.472 20 5 FEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1NCCc2ccccc21 ZINC000262302657 549808379 /nfs/dbraw/zinc/80/83/79/549808379.db2.gz BRQIOYLYNCIMLB-MRXNPFEDSA-N 0 3 355.394 2.367 20 5 FEBDHN CCN(CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000263779942 549935663 /nfs/dbraw/zinc/93/56/63/549935663.db2.gz VGMZFMIUKMKBAW-UHFFFAOYSA-N 0 3 373.356 2.419 20 5 FEBDHN CN(C)C[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263901892 549953226 /nfs/dbraw/zinc/95/32/26/549953226.db2.gz CQQMKGHAYVHHDZ-INIZCTEOSA-N 0 3 360.458 2.364 20 5 FEBDHN COc1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268290243 550045331 /nfs/dbraw/zinc/04/53/31/550045331.db2.gz UQDNZIDGKDLXCD-UHFFFAOYSA-N 0 3 371.459 2.097 20 5 FEBDHN Cc1nnc([C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000268500459 550077560 /nfs/dbraw/zinc/07/75/60/550077560.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 0 3 359.386 2.267 20 5 FEBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487543 550277009 /nfs/dbraw/zinc/27/70/09/550277009.db2.gz UBQVVJRSUSAGJT-CRAIPNDOSA-N 0 3 363.414 2.269 20 5 FEBDHN CC(C)OCCOC[C@H](O)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271121867 550342510 /nfs/dbraw/zinc/34/25/10/550342510.db2.gz FKAZLPCHRYZMQU-DBWMJRBXSA-N 0 3 352.431 2.342 20 5 FEBDHN COc1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc(OC)c1OC ZINC000271831170 550405007 /nfs/dbraw/zinc/40/50/07/550405007.db2.gz XBOVBAGCJQHISL-LLVKDONJSA-N 0 3 350.375 2.168 20 5 FEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000272177248 550427533 /nfs/dbraw/zinc/42/75/33/550427533.db2.gz JNODGUPJOCATIK-KSSFIOAISA-N 0 3 358.442 2.361 20 5 FEBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486009 550452625 /nfs/dbraw/zinc/45/26/25/550452625.db2.gz RMEKRDNZRBGWET-DZGCQCFKSA-N 0 3 355.398 2.085 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000273105234 550485218 /nfs/dbraw/zinc/48/52/18/550485218.db2.gz MXDQBCULFCXTCA-QGZVFWFLSA-N 0 3 369.421 2.400 20 5 FEBDHN CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274847377 550559109 /nfs/dbraw/zinc/55/91/09/550559109.db2.gz AICDPGJTOPLUIS-NEPJUHHUSA-N 0 3 367.475 2.093 20 5 FEBDHN CCOc1cc(CN(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000276985889 550618498 /nfs/dbraw/zinc/61/84/98/550618498.db2.gz ZBWVEUMLPHSPJZ-UHFFFAOYSA-N 0 3 350.463 2.063 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277783105 550713566 /nfs/dbraw/zinc/71/35/66/550713566.db2.gz UKTSGCSMZUIGOV-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278443425 550786827 /nfs/dbraw/zinc/78/68/27/550786827.db2.gz QVNJPRGUNXSEEM-UHFFFAOYSA-N 0 3 361.368 2.082 20 5 FEBDHN COC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278760171 550819199 /nfs/dbraw/zinc/81/91/99/550819199.db2.gz KPUIFOHICUUSKZ-UHOFOFEASA-N 0 3 351.403 2.096 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000278880276 550831919 /nfs/dbraw/zinc/83/19/19/550831919.db2.gz PBCTYXOXVVRLJR-HNNXBMFYSA-N 0 3 361.442 2.239 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000279154017 550859520 /nfs/dbraw/zinc/85/95/20/550859520.db2.gz HPFPYZBHVSQHDV-NEPJUHHUSA-N 0 3 352.410 2.355 20 5 FEBDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225223 550866805 /nfs/dbraw/zinc/86/68/05/550866805.db2.gz IOFJLJAKPRNADY-KBAYOESNSA-N 0 3 359.426 2.495 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270490 550871816 /nfs/dbraw/zinc/87/18/16/550871816.db2.gz NHLCZVWDMUUDTD-IPELMVKDSA-N 0 3 371.437 2.421 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282822369 551274488 /nfs/dbraw/zinc/27/44/88/551274488.db2.gz IYWITLSICJVMGS-ZDUSSCGKSA-N 0 3 365.821 2.323 20 5 FEBDHN CC[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)N1CCc2ccccc2C1 ZINC000498039407 561514404 /nfs/dbraw/zinc/51/44/04/561514404.db2.gz VIOFOZXUKGRAQN-QGZVFWFLSA-N 0 3 371.441 2.053 20 5 FEBDHN CN1C[C@@H]2[C@@H](CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000284902634 551662896 /nfs/dbraw/zinc/66/28/96/551662896.db2.gz RXYRSKYAIICPRX-HZPDHXFCSA-N 0 3 370.409 2.345 20 5 FEBDHN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000284994537 551685429 /nfs/dbraw/zinc/68/54/29/551685429.db2.gz YLJNSZCATOBORE-CDHAZOANSA-N 0 3 357.414 2.341 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843109 551817934 /nfs/dbraw/zinc/81/79/34/551817934.db2.gz OUTJUOJFBPCNEN-LSDHHAIUSA-N 0 3 369.425 2.479 20 5 FEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000286256458 551866516 /nfs/dbraw/zinc/86/65/16/551866516.db2.gz VJURIPYYCZJHCA-OAHLLOKOSA-N 0 3 358.398 2.218 20 5 FEBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000286266313 551867654 /nfs/dbraw/zinc/86/76/54/551867654.db2.gz VUSWCKYSQUQVDL-INIZCTEOSA-N 0 3 358.398 2.218 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2CCN(c3ccncc3)CC2)n1 ZINC000286537459 551897517 /nfs/dbraw/zinc/89/75/17/551897517.db2.gz PHQNYMPFDUASKO-UHFFFAOYSA-N 0 3 371.397 2.500 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286878422 551935840 /nfs/dbraw/zinc/93/58/40/551935840.db2.gz ZDQWZEZACGBUGT-HIFRSBDPSA-N 0 3 353.444 2.151 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN([C@H](C)CO)C1CCCC1 ZINC000287842641 552053599 /nfs/dbraw/zinc/05/35/99/552053599.db2.gz QRROVDYLOQGGNU-GFCCVEGCSA-N 0 3 351.403 2.167 20 5 FEBDHN CCC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000500491951 561574897 /nfs/dbraw/zinc/57/48/97/561574897.db2.gz PKFLKYKSGKPKEL-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290249881 552448495 /nfs/dbraw/zinc/44/84/95/552448495.db2.gz BIFJHXIYIXKEIF-SNVBAGLBSA-N 0 3 356.810 2.032 20 5 FEBDHN CN(C[C@@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290794626 552539313 /nfs/dbraw/zinc/53/93/13/552539313.db2.gz OUEKQQGRYZPZQE-SECBINFHSA-N 0 3 363.183 2.330 20 5 FEBDHN C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720355 552850231 /nfs/dbraw/zinc/85/02/31/552850231.db2.gz MLFSNMZVZPXOFE-LBPRGKRZSA-N 0 3 358.398 2.353 20 5 FEBDHN COC[C@@]1(C(=O)OC)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000295034360 552952956 /nfs/dbraw/zinc/95/29/56/552952956.db2.gz SFKGMYLEFCFOSY-GOSISDBHSA-N 0 3 359.382 2.467 20 5 FEBDHN COCCOC1(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000296419381 553156808 /nfs/dbraw/zinc/15/68/08/553156808.db2.gz LHFMEDSMFJBJEH-CYBMUJFWSA-N 0 3 353.419 2.040 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000297811428 553341932 /nfs/dbraw/zinc/34/19/32/553341932.db2.gz INXXSAQXVMUNKF-NSHDSACASA-N 0 3 368.821 2.035 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523674 553658015 /nfs/dbraw/zinc/65/80/15/553658015.db2.gz GUFHHHZKJGIMTA-UKRRQHHQSA-N 0 3 371.441 2.336 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000319894245 553764492 /nfs/dbraw/zinc/76/44/92/553764492.db2.gz WKEFRBNVIDVORV-JTQLQIEISA-N 0 3 359.835 2.201 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000507552106 561732845 /nfs/dbraw/zinc/73/28/45/561732845.db2.gz PDISHXOADPHHGN-HNNXBMFYSA-N 0 3 363.458 2.490 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332030021 554366796 /nfs/dbraw/zinc/36/67/96/554366796.db2.gz XASAJNMREQKBHM-UHFFFAOYSA-N 0 3 363.414 2.218 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000332197838 554399536 /nfs/dbraw/zinc/39/95/36/554399536.db2.gz DZHVPOUFNNPTIW-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000332562098 554472001 /nfs/dbraw/zinc/47/20/01/554472001.db2.gz XEQUJCZWTKNXAR-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572362 554474271 /nfs/dbraw/zinc/47/42/71/554474271.db2.gz DTNWCQWBJCPCIM-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000361110196 554905028 /nfs/dbraw/zinc/90/50/28/554905028.db2.gz VOVHROHWXDRCTD-NHYWBVRUSA-N 0 3 352.822 2.213 20 5 FEBDHN Cc1ccc(NC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000362813972 554990437 /nfs/dbraw/zinc/99/04/37/554990437.db2.gz ZRBTYBYCNQGMGC-HZPDHXFCSA-N 0 3 362.430 2.356 20 5 FEBDHN Cc1ccc(NC(=O)N2CCC[C@@H]2CN2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000362813970 554990627 /nfs/dbraw/zinc/99/06/27/554990627.db2.gz ZRBTYBYCNQGMGC-CVEARBPZSA-N 0 3 362.430 2.356 20 5 FEBDHN COc1ccccc1C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362901197 554997203 /nfs/dbraw/zinc/99/72/03/554997203.db2.gz JEMHPXZOVVLOSW-MAUKXSAKSA-N 0 3 374.441 2.116 20 5 FEBDHN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1=CCN(C)CC1 ZINC000512142835 561893883 /nfs/dbraw/zinc/89/38/83/561893883.db2.gz OEXFLUOOVNGJON-ZDUSSCGKSA-N 0 3 370.409 2.288 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427811 555312154 /nfs/dbraw/zinc/31/21/54/555312154.db2.gz SAVGPPMHWONYPW-INWMFGNUSA-N 0 3 365.405 2.353 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000364553743 555336322 /nfs/dbraw/zinc/33/63/22/555336322.db2.gz GCAITCWVKDEEDA-KSSFIOAISA-N 0 3 370.409 2.421 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364554070 555337061 /nfs/dbraw/zinc/33/70/61/555337061.db2.gz HIPCSBJYSQOBRJ-YOEHRIQHSA-N 0 3 355.398 2.116 20 5 FEBDHN CN(C)CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC000512679129 561912159 /nfs/dbraw/zinc/91/21/59/561912159.db2.gz WJPXECQQCMJHND-UHFFFAOYSA-N 0 3 370.409 2.129 20 5 FEBDHN C[C@H](CO)N1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000364952477 555448937 /nfs/dbraw/zinc/44/89/37/555448937.db2.gz CQANFWHRDIOICE-LLVKDONJSA-N 0 3 358.236 2.250 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512806453 561916120 /nfs/dbraw/zinc/91/61/20/561916120.db2.gz WCHZPEJJKFYCIY-NSHDSACASA-N 0 3 373.356 2.493 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000365047747 555472902 /nfs/dbraw/zinc/47/29/02/555472902.db2.gz YELBKDFZHFJPQF-CVEARBPZSA-N 0 3 350.415 2.083 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCc2nc(C)cn2C1 ZINC000365082284 555480997 /nfs/dbraw/zinc/48/09/97/555480997.db2.gz JQCICRUBYDFAMT-STQMWFEESA-N 0 3 373.413 2.040 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCc2nc(C)cn2C1 ZINC000365082282 555481279 /nfs/dbraw/zinc/48/12/79/555481279.db2.gz JQCICRUBYDFAMT-QWHCGFSZSA-N 0 3 373.413 2.040 20 5 FEBDHN O=C1[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866129 561952972 /nfs/dbraw/zinc/95/29/72/561952972.db2.gz NZRDOARSWQPSPF-YLFCFFPRSA-N 0 3 357.410 2.247 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000514573264 561967292 /nfs/dbraw/zinc/96/72/92/561967292.db2.gz HCHPMNPJPNRZGV-HNNXBMFYSA-N 0 3 357.366 2.356 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000367460841 556056442 /nfs/dbraw/zinc/05/64/42/556056442.db2.gz KMABUHPYFRDGQD-HNNXBMFYSA-N 0 3 362.474 2.346 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368997 556289770 /nfs/dbraw/zinc/28/97/70/556289770.db2.gz GJPYICXUZZMAAF-CJNGLKHVSA-N 0 3 370.409 2.397 20 5 FEBDHN Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368997 556289772 /nfs/dbraw/zinc/28/97/72/556289772.db2.gz GJPYICXUZZMAAF-CJNGLKHVSA-N 0 3 370.409 2.397 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000515216822 562001351 /nfs/dbraw/zinc/00/13/51/562001351.db2.gz PMPBCRTVMBUXRQ-UONOGXRCSA-N 0 3 355.460 2.277 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000368594799 556356991 /nfs/dbraw/zinc/35/69/91/556356991.db2.gz XLTBHYVPQMSGHP-MEDUHNTESA-N 0 3 356.382 2.015 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000368615162 556363808 /nfs/dbraw/zinc/36/38/08/556363808.db2.gz RUXGASYMAHIHRE-YESZJQIVSA-N 0 3 364.442 2.473 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369157463 556519931 /nfs/dbraw/zinc/51/99/31/556519931.db2.gz NNOWPGUFFBNNNI-UHFFFAOYSA-N 0 3 360.458 2.227 20 5 FEBDHN Cc1sc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830757 556982583 /nfs/dbraw/zinc/98/25/83/556982583.db2.gz OZVCQDKXZKRGPB-CQSZACIVSA-N 0 3 366.487 2.205 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221579 557111178 /nfs/dbraw/zinc/11/11/78/557111178.db2.gz XUSSZZASIGHLFL-PBHICJAKSA-N 0 3 360.458 2.001 20 5 FEBDHN COc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349440 557155561 /nfs/dbraw/zinc/15/55/61/557155561.db2.gz ISQZTNMGDGNGIC-ZFWWWQNUSA-N 0 3 366.437 2.205 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371355131 557157775 /nfs/dbraw/zinc/15/77/75/557157775.db2.gz OTMGMPSJYGSOHY-HPWWWVCSSA-N 0 3 372.469 2.092 20 5 FEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000372105565 557381279 /nfs/dbraw/zinc/38/12/79/557381279.db2.gz NNQRVACRCIQIJH-AWEZNQCLSA-N 0 3 367.413 2.039 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3cccc(F)c3F)CC2)c1 ZINC000372153335 557394075 /nfs/dbraw/zinc/39/40/75/557394075.db2.gz UAAAFTUEZQXIJX-CQSZACIVSA-N 0 3 366.368 2.310 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000372296551 557432323 /nfs/dbraw/zinc/43/23/23/557432323.db2.gz RJZZALRXNCJYBN-AEFFLSMTSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000372900357 557585127 /nfs/dbraw/zinc/58/51/27/557585127.db2.gz CNPGABJZHOIBEK-UHFFFAOYSA-N 0 3 350.419 2.214 20 5 FEBDHN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@H]1N1CCN(C)CC1 ZINC000373063879 557619580 /nfs/dbraw/zinc/61/95/80/557619580.db2.gz RADJLKBSQAVBJU-RHSMWYFYSA-N 0 3 359.474 2.025 20 5 FEBDHN COc1cc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000373153157 557639533 /nfs/dbraw/zinc/63/95/33/557639533.db2.gz LJXGJQHALYQDNC-CXAGYDPISA-N 0 3 352.387 2.040 20 5 FEBDHN Cc1cc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000520488456 562157537 /nfs/dbraw/zinc/15/75/37/562157537.db2.gz OXKIPYIMZXMADP-UHFFFAOYSA-N 0 3 355.398 2.302 20 5 FEBDHN C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000374253859 557851879 /nfs/dbraw/zinc/85/18/79/557851879.db2.gz KMPZOZOSXMOXPC-GFCCVEGCSA-N 0 3 354.401 2.478 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374298382 557860985 /nfs/dbraw/zinc/86/09/85/557860985.db2.gz UNRHRELPUMPKIL-CRAIPNDOSA-N 0 3 360.458 2.001 20 5 FEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000374319344 557865034 /nfs/dbraw/zinc/86/50/34/557865034.db2.gz XQBGOMLWAGOAKR-JKSUJKDBSA-N 0 3 355.394 2.188 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1OC ZINC000375017028 557964881 /nfs/dbraw/zinc/96/48/81/557964881.db2.gz GFHODUGVZIGKEZ-WFASDCNBSA-N 0 3 363.414 2.168 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000375062043 557972330 /nfs/dbraw/zinc/97/23/30/557972330.db2.gz RVZFWQPKNNNBOI-KXBFYZLASA-N 0 3 372.469 2.364 20 5 FEBDHN CC1CCN(C[C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000521336071 562174587 /nfs/dbraw/zinc/17/45/87/562174587.db2.gz WKGUYJLFYFTJGI-CYBMUJFWSA-N 0 3 370.837 2.463 20 5 FEBDHN NC(=O)[C@@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000375531296 558043952 /nfs/dbraw/zinc/04/39/52/558043952.db2.gz CLMQCIMUFRWLNP-QGZVFWFLSA-N 0 3 361.423 2.136 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)NC2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375699155 558069457 /nfs/dbraw/zinc/06/94/57/558069457.db2.gz UXIKHBYVXRWAKS-LBPRGKRZSA-N 0 3 363.414 2.479 20 5 FEBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000375967802 558106839 /nfs/dbraw/zinc/10/68/39/558106839.db2.gz GCKKTGPWHVPQOA-INIZCTEOSA-N 0 3 351.366 2.088 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000376197884 558139967 /nfs/dbraw/zinc/13/99/67/558139967.db2.gz PMHYAMQBDXGNAM-LBPRGKRZSA-N 0 3 356.382 2.146 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000376450276 558174727 /nfs/dbraw/zinc/17/47/27/558174727.db2.gz PXGKDTHSFSGZLG-CQSZACIVSA-N 0 3 360.458 2.402 20 5 FEBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(c2ccncc2)CC1 ZINC000376781974 558220973 /nfs/dbraw/zinc/22/09/73/558220973.db2.gz DIWCOCIENZFQFS-UHFFFAOYSA-N 0 3 355.398 2.313 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000376954446 558244206 /nfs/dbraw/zinc/24/42/06/558244206.db2.gz KVMYYPLHJOLEOX-UHFFFAOYSA-N 0 3 358.402 2.112 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000377652065 558387390 /nfs/dbraw/zinc/38/73/90/558387390.db2.gz SIHLHFKYVIBXGF-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN Cn1cc([C@@H]2[C@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCCN2C)cn1 ZINC000377693829 558399354 /nfs/dbraw/zinc/39/93/54/558399354.db2.gz CKWOITGVHFYSAO-GTNSWQLSSA-N 0 3 371.401 2.360 20 5 FEBDHN COC(=O)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000378002101 558460750 /nfs/dbraw/zinc/46/07/50/558460750.db2.gz QFJBPUJLRSUVGM-CQSZACIVSA-N 0 3 363.414 2.363 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239626 558659629 /nfs/dbraw/zinc/65/96/29/558659629.db2.gz ZTOCLZOAYMCPFZ-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000524871857 562236508 /nfs/dbraw/zinc/23/65/08/562236508.db2.gz MQJKAPPVFMKFMI-JSGCOSHPSA-N 0 3 355.460 2.397 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411132426 558842493 /nfs/dbraw/zinc/84/24/93/558842493.db2.gz JYXAQRUYBPOTKD-UONOGXRCSA-N 0 3 362.430 2.221 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000525952819 562260846 /nfs/dbraw/zinc/26/08/46/562260846.db2.gz XFPTWMCQLBARPG-UHFFFAOYSA-N 0 3 374.363 2.468 20 5 FEBDHN COC(=O)[C@]1(C)CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412105121 559014260 /nfs/dbraw/zinc/01/42/60/559014260.db2.gz OPUFIDXXAOWGED-QGZVFWFLSA-N 0 3 352.387 2.257 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1F ZINC000412169205 559018052 /nfs/dbraw/zinc/01/80/52/559018052.db2.gz IATVDDRDXQVMBS-GHMZBOCLSA-N 0 3 351.378 2.026 20 5 FEBDHN CC[C@H](C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000413072392 559075075 /nfs/dbraw/zinc/07/50/75/559075075.db2.gz PCRNQINELGUZEZ-LSDHHAIUSA-N 0 3 365.430 2.434 20 5 FEBDHN CN1CCC(CNc2c(Cl)cccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413473820 559110486 /nfs/dbraw/zinc/11/04/86/559110486.db2.gz AULLCKLUCGOJLG-UHFFFAOYSA-N 0 3 368.865 2.457 20 5 FEBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416405508 559310462 /nfs/dbraw/zinc/31/04/62/559310462.db2.gz BXTXNIUKNXTFBC-VIFPVBQESA-N 0 3 369.365 2.232 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409007 559310788 /nfs/dbraw/zinc/31/07/88/559310788.db2.gz TVJMLSKDQGJGHW-KBPBESRZSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000421498172 559543762 /nfs/dbraw/zinc/54/37/62/559543762.db2.gz SLAFRCMGIOJVIT-UHFFFAOYSA-N 0 3 358.398 2.187 20 5 FEBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836445 559641998 /nfs/dbraw/zinc/64/19/98/559641998.db2.gz FUKIFTVZPJAOJX-XJKSGUPXSA-N 0 3 355.822 2.397 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000423982048 559649002 /nfs/dbraw/zinc/64/90/02/559649002.db2.gz REORATCZQBGXJU-MRXNPFEDSA-N 0 3 359.430 2.177 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466536 559703692 /nfs/dbraw/zinc/70/36/92/559703692.db2.gz BEGDHFNTIPNEDS-VXGBXAGGSA-N 0 3 356.220 2.362 20 5 FEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000427958212 559766277 /nfs/dbraw/zinc/76/62/77/559766277.db2.gz MQBVLNRTPBJDAH-SECBINFHSA-N 0 3 369.365 2.409 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018051 559788723 /nfs/dbraw/zinc/78/87/23/559788723.db2.gz HJLRYJNQJDXQBA-IIDMSEBBSA-N 0 3 372.469 2.146 20 5 FEBDHN Cc1ccn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1[N+](=O)[O-] ZINC000430146972 559814162 /nfs/dbraw/zinc/81/41/62/559814162.db2.gz KIIXCNPFVGHGPE-KRWDZBQOSA-N 0 3 357.410 2.356 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCCO[C@@H](C)C2)c1 ZINC000432866120 559866553 /nfs/dbraw/zinc/86/65/53/559866553.db2.gz NIHYZTJUFKHVPV-ZDUSSCGKSA-N 0 3 351.403 2.294 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1C ZINC000445067364 560127817 /nfs/dbraw/zinc/12/78/17/560127817.db2.gz SYYJYKUISIBYIN-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000448936947 560207720 /nfs/dbraw/zinc/20/77/20/560207720.db2.gz OJRFVZWSCYIQRX-MRXNPFEDSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1cc(CNC[C@H](O)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449739924 560238597 /nfs/dbraw/zinc/23/85/97/560238597.db2.gz MPZUHNJEWQGTMB-ZDUSSCGKSA-N 0 3 360.357 2.498 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000450518739 560264784 /nfs/dbraw/zinc/26/47/84/560264784.db2.gz QWJZSUOUBBYPOI-JSGCOSHPSA-N 0 3 360.414 2.307 20 5 FEBDHN CCOC(=O)c1cc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450602019 560267616 /nfs/dbraw/zinc/26/76/16/560267616.db2.gz ZLZYLNRAHXWFCT-AWEZNQCLSA-N 0 3 351.403 2.030 20 5 FEBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)nc1-c1ccc(F)cc1 ZINC000450874628 560276524 /nfs/dbraw/zinc/27/65/24/560276524.db2.gz UQBYXBSDISEXHV-UHFFFAOYSA-N 0 3 360.389 2.665 20 5 FEBDHN COC[C@]1(CO)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451934162 560338904 /nfs/dbraw/zinc/33/89/04/560338904.db2.gz QYXFFGHETVYFBW-GOSISDBHSA-N 0 3 361.398 2.123 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000452085624 560350136 /nfs/dbraw/zinc/35/01/36/560350136.db2.gz KOEYPVQKMFOMGY-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C2CC2)C1 ZINC000452169361 560354557 /nfs/dbraw/zinc/35/45/57/560354557.db2.gz HRTSTDHIIPMDHG-AWEZNQCLSA-N 0 3 369.425 2.337 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453257997 560384755 /nfs/dbraw/zinc/38/47/55/560384755.db2.gz HLAZRFJHONBKCV-GDBMZVCRSA-N 0 3 351.447 2.491 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000453417746 560386245 /nfs/dbraw/zinc/38/62/45/560386245.db2.gz CIJISGIQASYKGW-WQVCFCJDSA-N 0 3 360.414 2.055 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455378926 560480127 /nfs/dbraw/zinc/48/01/27/560480127.db2.gz RLJRSNOMELIGHS-UHFFFAOYSA-N 0 3 373.417 2.137 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455465313 560483389 /nfs/dbraw/zinc/48/33/89/560483389.db2.gz OTDVMDJUMJENLP-HNNXBMFYSA-N 0 3 350.419 2.126 20 5 FEBDHN CNc1nc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455993900 560503878 /nfs/dbraw/zinc/50/38/78/560503878.db2.gz LWXWEYSFSHPVFL-ZDUSSCGKSA-N 0 3 357.414 2.282 20 5 FEBDHN CN(C)CCOCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458685281 560640562 /nfs/dbraw/zinc/64/05/62/560640562.db2.gz FKBCHQGELBBLIL-INIZCTEOSA-N 0 3 364.446 2.062 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781742 560708090 /nfs/dbraw/zinc/70/80/90/560708090.db2.gz MHXAQINMLACWMM-HOTGVXAUSA-N 0 3 364.398 2.194 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000468471889 560930852 /nfs/dbraw/zinc/93/08/52/560930852.db2.gz WDWQZPQBIZINAZ-HNNXBMFYSA-N 0 3 365.430 2.462 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468476289 560930948 /nfs/dbraw/zinc/93/09/48/560930948.db2.gz SDQYBVVRCQTHSY-MRXNPFEDSA-N 0 3 363.414 2.216 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000469949091 560969627 /nfs/dbraw/zinc/96/96/27/560969627.db2.gz AKQXLCMWNDBRME-GOSISDBHSA-N 0 3 361.442 2.241 20 5 FEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000470178058 560976123 /nfs/dbraw/zinc/97/61/23/560976123.db2.gz WLJKSQWIUDQFTN-QHSLDKKCSA-N 0 3 372.425 2.308 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000472631374 561031496 /nfs/dbraw/zinc/03/14/96/561031496.db2.gz MRFJPHRBAOYICI-OCESRQBRSA-N 0 3 353.444 2.058 20 5 FEBDHN COC(=O)COc1ccc(CNc2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000473477843 561050757 /nfs/dbraw/zinc/05/07/57/561050757.db2.gz BBEYMJYMFNMYAK-UHFFFAOYSA-N 0 3 374.397 2.215 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000476600887 561123942 /nfs/dbraw/zinc/12/39/42/561123942.db2.gz OVEQNYGZVSRYJG-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000477021443 561134450 /nfs/dbraw/zinc/13/44/50/561134450.db2.gz AIAANPGTIMVSSS-ZBFHGGJFSA-N 0 3 371.441 2.453 20 5 FEBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000532574701 562482162 /nfs/dbraw/zinc/48/21/62/562482162.db2.gz IDSAWFIQHPOIFY-ZDUSSCGKSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](N2CCCC2=O)C1 ZINC000532982622 562494728 /nfs/dbraw/zinc/49/47/28/562494728.db2.gz YDSVAXCQXBPIIM-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000602824635 568046115 /nfs/dbraw/zinc/04/61/15/568046115.db2.gz NYFYHDJQMLCSBF-QGZVFWFLSA-N 0 3 367.409 2.293 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cn1 ZINC000604511315 568306342 /nfs/dbraw/zinc/30/63/42/568306342.db2.gz UZLRLOFRYVMQPN-UHFFFAOYSA-N 0 3 358.402 2.180 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570240378 568465328 /nfs/dbraw/zinc/46/53/28/568465328.db2.gz PHGVGEWRSAUDQB-ZDUSSCGKSA-N 0 3 359.430 2.260 20 5 FEBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000584716730 568572216 /nfs/dbraw/zinc/57/22/16/568572216.db2.gz MMKCTMATEDLMDQ-ZIAGYGMSSA-N 0 3 362.430 2.303 20 5 FEBDHN Cc1c([C@@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924217 674428202 /nfs/dbraw/zinc/42/82/02/674428202.db2.gz IGUKKIWPVIXSLG-ZIAGYGMSSA-N 0 3 355.460 2.368 20 5 FEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000809970737 674522622 /nfs/dbraw/zinc/52/26/22/674522622.db2.gz KGZVRSJYRIDSRT-KRWDZBQOSA-N 0 3 352.410 2.335 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650922 606200913 /nfs/dbraw/zinc/20/09/13/606200913.db2.gz DIPAEFLBIXFRFQ-UHFFFAOYSA-N 0 3 372.433 2.379 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823650922 606200915 /nfs/dbraw/zinc/20/09/15/606200915.db2.gz DIPAEFLBIXFRFQ-UHFFFAOYSA-N 0 3 372.433 2.379 20 5 FEBDHN COc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000559292187 674536280 /nfs/dbraw/zinc/53/62/80/674536280.db2.gz MVCWQJPKBJOABJ-CQSZACIVSA-N 0 3 350.346 2.272 20 5 FEBDHN COc1ccc(CNC[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000559603659 674549305 /nfs/dbraw/zinc/54/93/05/674549305.db2.gz QETDEIBDXMUSHP-ZDUSSCGKSA-N 0 3 350.346 2.272 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)[N+](=O)[O-] ZINC000813111573 674720968 /nfs/dbraw/zinc/72/09/68/674720968.db2.gz VGAPAPSCMCABFI-CYBMUJFWSA-N 0 3 363.391 2.483 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000563436432 674887946 /nfs/dbraw/zinc/88/79/46/674887946.db2.gz KVTONXDEWDXVMK-CQSZACIVSA-N 0 3 355.460 2.135 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000579704157 671754646 /nfs/dbraw/zinc/75/46/46/671754646.db2.gz WXVQWHAESLWDGS-HNNXBMFYSA-N 0 3 369.487 2.079 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000580890584 671843969 /nfs/dbraw/zinc/84/39/69/671843969.db2.gz NKAGTBDBYGHCKB-BBRMVZONSA-N 0 3 367.471 2.405 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000129572294 672063894 /nfs/dbraw/zinc/06/38/94/672063894.db2.gz GLVBIDIEXDZEDA-LLVKDONJSA-N 0 3 361.851 2.271 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000583809446 672128417 /nfs/dbraw/zinc/12/84/17/672128417.db2.gz QWYVUQGAWVAHPU-OAHLLOKOSA-N 0 3 367.471 2.406 20 5 FEBDHN Cn1nnnc1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611314556 676031874 /nfs/dbraw/zinc/03/18/74/676031874.db2.gz GNKWZPRUSOWNAS-UHFFFAOYSA-N 0 3 362.777 2.364 20 5 FEBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749833 673128599 /nfs/dbraw/zinc/12/85/99/673128599.db2.gz AWBWYHRCZMMSEG-MJBXVCDLSA-N 0 3 368.459 2.016 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786485 673290752 /nfs/dbraw/zinc/29/07/52/673290752.db2.gz QKDLRIPDNWFOQA-RYUDHWBXSA-N 0 3 350.375 2.496 20 5 FEBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000539479465 673492422 /nfs/dbraw/zinc/49/24/22/673492422.db2.gz ICFPMYUMJXLIIC-APHBMKBZSA-N 0 3 366.487 2.208 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599344238 673661960 /nfs/dbraw/zinc/66/19/60/673661960.db2.gz AWTLOKZAFAAYTG-UHFFFAOYSA-N 0 3 374.235 2.008 20 5 FEBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000599532952 673688919 /nfs/dbraw/zinc/68/89/19/673688919.db2.gz DVKIZFVUJCRWBO-LBPRGKRZSA-N 0 3 361.427 2.287 20 5 FEBDHN C[C@H]1OCC[C@@]1(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638922 673908938 /nfs/dbraw/zinc/90/89/38/673908938.db2.gz HMJRUFPFBJKXFR-RDDDGLTNSA-N 0 3 351.222 2.048 20 5 FEBDHN Cn1nnc2c1CC[C@@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602709051 673910210 /nfs/dbraw/zinc/91/02/10/673910210.db2.gz ZLQUJYIJRIFDDZ-LLVKDONJSA-N 0 3 355.320 2.389 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C/CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225035 675271285 /nfs/dbraw/zinc/27/12/85/675271285.db2.gz SIHIOTIFNWCZNO-RGDDUWESSA-N 0 3 351.403 2.299 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000822235566 675473688 /nfs/dbraw/zinc/47/36/88/675473688.db2.gz MSMNCAWRKYQEAM-LLVKDONJSA-N 0 3 368.821 2.421 20 5 FEBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000826686939 675700552 /nfs/dbraw/zinc/70/05/52/675700552.db2.gz YHJXTPBROFNAAV-SECBINFHSA-N 0 3 361.229 2.458 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827063501 675726551 /nfs/dbraw/zinc/72/65/51/675726551.db2.gz BCGYWCSIAKHNLS-UHFFFAOYSA-N 0 3 354.426 2.460 20 5 FEBDHN CN(C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccs1 ZINC000603929002 675802080 /nfs/dbraw/zinc/80/20/80/675802080.db2.gz MBGRMISALMEGTJ-LBPRGKRZSA-N 0 3 370.456 2.019 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619486214 676380286 /nfs/dbraw/zinc/38/02/86/676380286.db2.gz ZJAQNNQNPCQSQZ-CHWSQXEVSA-N 0 3 371.459 2.097 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839571259 680762762 /nfs/dbraw/zinc/76/27/62/680762762.db2.gz MUGQAMMZDLZSPR-NSHDSACASA-N 0 3 368.821 2.128 20 5 FEBDHN CN1CCC(N(CCO)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000911933360 685284290 /nfs/dbraw/zinc/28/42/90/685284290.db2.gz FAAHCORPOYFLQJ-UHFFFAOYSA-N 0 3 369.849 2.096 20 5 FEBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccc(F)cc2F)CC1 ZINC001045435766 680629247 /nfs/dbraw/zinc/62/92/47/680629247.db2.gz AGWXPNGKPIOCER-UKRRQHHQSA-N 0 3 353.369 2.101 20 5 FEBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000842918294 680975317 /nfs/dbraw/zinc/97/53/17/680975317.db2.gz FVBXYICCFGCNMA-UHFFFAOYSA-N 0 3 369.365 2.411 20 5 FEBDHN CC([C@H](OC(=O)[C@H](C)Sc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879567 681158785 /nfs/dbraw/zinc/15/87/85/681158785.db2.gz XWWMSMRQNIMIHL-NRUUGDAUSA-N 0 3 368.390 2.385 20 5 FEBDHN CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CCN(C2CC2)C1 ZINC000932547730 681262916 /nfs/dbraw/zinc/26/29/16/681262916.db2.gz QQXFSFFDDPJAIS-VIFPVBQESA-N 0 3 356.785 2.278 20 5 FEBDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850548423 681915449 /nfs/dbraw/zinc/91/54/49/681915449.db2.gz RCDWVHXLLOFOJB-LLVKDONJSA-N 0 3 368.821 2.176 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859221352 683058916 /nfs/dbraw/zinc/05/89/16/683058916.db2.gz JVOGBCQPEWWEPB-LBPRGKRZSA-N 0 3 355.822 2.431 20 5 FEBDHN COc1ccc(CSCC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451742 683454037 /nfs/dbraw/zinc/45/40/37/683454037.db2.gz GNQUZPOTAVYHEN-AAEUAGOBSA-N 0 3 353.444 2.045 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000929216499 683564087 /nfs/dbraw/zinc/56/40/87/683564087.db2.gz BYSAIJUGIGGIDC-GJZGRUSLSA-N 0 3 368.821 2.311 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCN1C1CCOCC1 ZINC000885868592 688172970 /nfs/dbraw/zinc/17/29/70/688172970.db2.gz LEBWOQHDNNPNTP-HNNXBMFYSA-N 0 3 367.833 2.160 20 5 FEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135214 689301910 /nfs/dbraw/zinc/30/19/10/689301910.db2.gz NQBDDTISBBFVAB-WBMJQRKESA-N 0 3 354.428 2.453 20 5 FEBDHN CN(CCO)CCN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000894590328 689559837 /nfs/dbraw/zinc/55/98/37/689559837.db2.gz DCDKZCMJIUXTOO-UHFFFAOYSA-N 0 3 372.294 2.004 20 5 FEBDHN CCC[C@H](NC[C@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369063 690887711 /nfs/dbraw/zinc/88/77/11/690887711.db2.gz SFGIBFVBSJXFBI-JKSUJKDBSA-N 0 3 356.444 2.229 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000047145403 540292773 /nfs/dbraw/zinc/29/27/73/540292773.db2.gz KADCQILHTPEFES-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c1C ZINC000055265253 540642194 /nfs/dbraw/zinc/64/21/94/540642194.db2.gz VAKYKIRWVUCISU-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000055281595 540643494 /nfs/dbraw/zinc/64/34/94/540643494.db2.gz GVVIPSPBNUTFFO-ZDUSSCGKSA-N 0 3 355.460 2.304 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000056786190 540745121 /nfs/dbraw/zinc/74/51/21/540745121.db2.gz QUSBOIKOWVRSGM-HUUCEWRRSA-N 0 3 363.462 2.426 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000061198773 541127753 /nfs/dbraw/zinc/12/77/53/541127753.db2.gz APEMSSAYNNIIEF-UHFFFAOYSA-N 0 3 351.451 2.213 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000062120376 541144154 /nfs/dbraw/zinc/14/41/54/541144154.db2.gz NLKVWKDAHZVULP-OLZOCXBDSA-N 0 3 362.430 2.221 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(Cl)cc2)cc1 ZINC000065977929 541276038 /nfs/dbraw/zinc/27/60/38/541276038.db2.gz DMNRGHWWKZSZOT-UHFFFAOYSA-N 0 3 369.830 2.316 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000067361158 541449106 /nfs/dbraw/zinc/44/91/06/541449106.db2.gz VUKXZNNDCYWFBG-KRWDZBQOSA-N 0 3 371.441 2.210 20 5 FEBDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000069989525 541730108 /nfs/dbraw/zinc/73/01/08/541730108.db2.gz NCPKJXJBHNZFKV-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000072703882 541854736 /nfs/dbraw/zinc/85/47/36/541854736.db2.gz LRXPQIBVXBGIEI-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000109213583 206049796 /nfs/dbraw/zinc/04/97/96/206049796.db2.gz DKYXNVNXXBLMNZ-HNNXBMFYSA-N 0 3 353.444 2.152 20 5 FEBDHN Cc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000110057352 206070479 /nfs/dbraw/zinc/07/04/79/206070479.db2.gz SALSXTCEIWTBOI-UHFFFAOYSA-N 0 3 365.430 2.249 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000074136929 542042789 /nfs/dbraw/zinc/04/27/89/542042789.db2.gz RNSSZOZZJBNWIP-MRXNPFEDSA-N 0 3 359.430 2.487 20 5 FEBDHN COc1cc(C(=O)NC[C@H](CC(C)C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000074137191 542042891 /nfs/dbraw/zinc/04/28/91/542042891.db2.gz WRTXSMOCNNLGPZ-LBPRGKRZSA-N 0 3 353.419 2.318 20 5 FEBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000081122187 542634436 /nfs/dbraw/zinc/63/44/36/542634436.db2.gz ISQLCNDWKPYLBL-MRXNPFEDSA-N 0 3 371.441 2.259 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000093077795 542908236 /nfs/dbraw/zinc/90/82/36/542908236.db2.gz FWYVANNNSMCQLG-UHFFFAOYSA-N 0 3 358.402 2.233 20 5 FEBDHN CCO[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156005690 545591670 /nfs/dbraw/zinc/59/16/70/545591670.db2.gz PXQRQWPUPVRARX-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000101572618 543034591 /nfs/dbraw/zinc/03/45/91/543034591.db2.gz GBQRYPUPFGKOMS-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490217 543071730 /nfs/dbraw/zinc/07/17/30/543071730.db2.gz ZXXAEULTSCGFPQ-ZDUSSCGKSA-N 0 3 351.451 2.153 20 5 FEBDHN O=[N+]([O-])c1ncn(Cc2nc(-c3cccc(CN4CCCCC4)c3)no2)n1 ZINC000109569496 543327439 /nfs/dbraw/zinc/32/74/39/543327439.db2.gz NOWJCBHTSSUZAH-UHFFFAOYSA-N 0 3 369.385 2.271 20 5 FEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111339947 543397508 /nfs/dbraw/zinc/39/75/08/543397508.db2.gz VRZFEWQVXKLJRX-UHFFFAOYSA-N 0 3 361.851 2.211 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000115436534 543566554 /nfs/dbraw/zinc/56/65/54/543566554.db2.gz JSBUWHLBLBERML-ZDUSSCGKSA-N 0 3 363.414 2.185 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000115441286 543567429 /nfs/dbraw/zinc/56/74/29/543567429.db2.gz IXIPFMYQPWTULQ-AWEZNQCLSA-N 0 3 371.441 2.409 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115585999 543575986 /nfs/dbraw/zinc/57/59/86/543575986.db2.gz OCUSKFNDYACBAN-CYBMUJFWSA-N 0 3 355.460 2.120 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120253480 543677277 /nfs/dbraw/zinc/67/72/77/543677277.db2.gz NCZOPMNDFHFJEC-UHFFFAOYSA-N 0 3 351.451 2.169 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)CCN(C)C ZINC000120253480 543677279 /nfs/dbraw/zinc/67/72/79/543677279.db2.gz NCZOPMNDFHFJEC-UHFFFAOYSA-N 0 3 351.451 2.169 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123140095 543744927 /nfs/dbraw/zinc/74/49/27/543744927.db2.gz YGXXNBNPKGBKKY-MFKMUULPSA-N 0 3 350.375 2.366 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000122419412 543707147 /nfs/dbraw/zinc/70/71/47/543707147.db2.gz ONSLHWDRQPCNMS-KGLIPLIRSA-N 0 3 353.444 2.008 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123762318 543780881 /nfs/dbraw/zinc/78/08/81/543780881.db2.gz YGJXFLPIESFSGQ-UHFFFAOYSA-N 0 3 359.423 2.229 20 5 FEBDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000124893693 543850054 /nfs/dbraw/zinc/85/00/54/543850054.db2.gz PJALTZBXYPHPCW-HIFRSBDPSA-N 0 3 371.397 2.135 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(c4ccncc4)CC3)n2)c1 ZINC000125280373 543872214 /nfs/dbraw/zinc/87/22/14/543872214.db2.gz VQPDNLLUIQEGQJ-UHFFFAOYSA-N 0 3 366.381 2.362 20 5 FEBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000129622498 544121051 /nfs/dbraw/zinc/12/10/51/544121051.db2.gz KURIPQOAXYEXJR-UHFFFAOYSA-N 0 3 367.471 2.027 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000130407099 544149510 /nfs/dbraw/zinc/14/95/10/544149510.db2.gz TWOGMLRSXNLHMS-KRWDZBQOSA-N 0 3 350.415 2.116 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134929745 544327649 /nfs/dbraw/zinc/32/76/49/544327649.db2.gz OGJIFNOXAGXFSA-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153615909 544798725 /nfs/dbraw/zinc/79/87/25/544798725.db2.gz LGNMSZVURGRBCK-CABCVRRESA-N 0 3 350.463 2.280 20 5 FEBDHN CCN(CC)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929415 327753334 /nfs/dbraw/zinc/75/33/34/327753334.db2.gz RXUIJWCXOHVXAP-HNNXBMFYSA-N 0 3 369.487 2.032 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804357972 674281899 /nfs/dbraw/zinc/28/18/99/674281899.db2.gz SHVSZNRSLYZTAK-CYBMUJFWSA-N 0 3 351.407 2.189 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000188176403 328071206 /nfs/dbraw/zinc/07/12/06/328071206.db2.gz CQTSCKZNQVRPNS-FQEVSTJZSA-N 0 3 369.421 2.304 20 5 FEBDHN CC(C)c1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189795620 328168550 /nfs/dbraw/zinc/16/85/50/328168550.db2.gz GYNWMNGGJFWGJH-OAHLLOKOSA-N 0 3 362.474 2.332 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192959393 328349173 /nfs/dbraw/zinc/34/91/73/328349173.db2.gz APRIVXZHPRUOSQ-CQSZACIVSA-N 0 3 355.398 2.023 20 5 FEBDHN O=C1NC(=O)[C@]2(CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)N1 ZINC000193466647 328377052 /nfs/dbraw/zinc/37/70/52/328377052.db2.gz VVVIAVAQFQKYNI-GOSISDBHSA-N 0 3 370.365 2.029 20 5 FEBDHN N[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000194281317 328417987 /nfs/dbraw/zinc/41/79/87/328417987.db2.gz JSUMACOTNORWLV-GOSISDBHSA-N 0 3 354.410 2.334 20 5 FEBDHN CCc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008085465 324360355 /nfs/dbraw/zinc/36/03/55/324360355.db2.gz RSWHZMJLYXNXCG-UHFFFAOYSA-N 0 3 363.439 2.225 20 5 FEBDHN CCc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008085475 324360506 /nfs/dbraw/zinc/36/05/06/324360506.db2.gz XQNFNSKRRNWTFM-UHFFFAOYSA-N 0 3 363.439 2.225 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000053992090 324753306 /nfs/dbraw/zinc/75/33/06/324753306.db2.gz GVXPIOMAPMKCAY-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN O=C(Nc1ccccc1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090511988 325361706 /nfs/dbraw/zinc/36/17/06/325361706.db2.gz OVSQEPMTGUDMKH-HNNXBMFYSA-N 0 3 370.409 2.107 20 5 FEBDHN CCC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000121648202 326354946 /nfs/dbraw/zinc/35/49/46/326354946.db2.gz FLEBFNPVVQIXFK-INIZCTEOSA-N 0 3 351.447 2.406 20 5 FEBDHN CCC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000121998815 326379892 /nfs/dbraw/zinc/37/98/92/326379892.db2.gz OGDSZIINQMENAB-KRWDZBQOSA-N 0 3 351.447 2.406 20 5 FEBDHN CC(C)C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000129485799 326541434 /nfs/dbraw/zinc/54/14/34/326541434.db2.gz DZKLVRLGPWRTQO-LBPRGKRZSA-N 0 3 357.842 2.148 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000153467573 326733648 /nfs/dbraw/zinc/73/36/48/326733648.db2.gz NONSEFNGJZDMPX-KRWDZBQOSA-N 0 3 367.471 2.375 20 5 FEBDHN CN1CCC(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cn2)CC1 ZINC000154894590 326771855 /nfs/dbraw/zinc/77/18/55/326771855.db2.gz SCXFIXVHTCNSIK-UHFFFAOYSA-N 0 3 371.397 2.297 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000161969796 327013631 /nfs/dbraw/zinc/01/36/31/327013631.db2.gz NXWZJBSOXHZSNT-LBPRGKRZSA-N 0 3 351.432 2.203 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000164713369 327073406 /nfs/dbraw/zinc/07/34/06/327073406.db2.gz SAQAKSBZZLHEMG-GFCCVEGCSA-N 0 3 365.411 2.210 20 5 FEBDHN Cc1cc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000172015672 327176346 /nfs/dbraw/zinc/17/63/46/327176346.db2.gz QGUWNQCXJKUJEQ-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000172485185 327203626 /nfs/dbraw/zinc/20/36/26/327203626.db2.gz AUMPGGCGFNOZAS-WBVHZDCISA-N 0 3 371.441 2.303 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173256926 327244531 /nfs/dbraw/zinc/24/45/31/327244531.db2.gz GGWYUQHCZPLHJD-ZIAGYGMSSA-N 0 3 355.460 2.254 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173264004 327245087 /nfs/dbraw/zinc/24/50/87/327245087.db2.gz COMNPTHEIYKAHK-UKRRQHHQSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000173671327 327275346 /nfs/dbraw/zinc/27/53/46/327275346.db2.gz QOJUJTYHZOXBDY-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000173867487 327289762 /nfs/dbraw/zinc/28/97/62/327289762.db2.gz OFKPAJSQGNECCL-MRXNPFEDSA-N 0 3 367.471 2.279 20 5 FEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732964 327346715 /nfs/dbraw/zinc/34/67/15/327346715.db2.gz RLQANRYEYCVARS-GWCFXTLKSA-N 0 3 356.329 2.104 20 5 FEBDHN C[NH+](C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077924 327372642 /nfs/dbraw/zinc/37/26/42/327372642.db2.gz FXCJTSIDHXRGGT-VXGBXAGGSA-N 0 3 361.851 2.399 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@@H]1c1cccnc1 ZINC000261836697 328823445 /nfs/dbraw/zinc/82/34/45/328823445.db2.gz UEUOXZKJWBTKLS-GOSISDBHSA-N 0 3 369.425 2.273 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264651919 329044652 /nfs/dbraw/zinc/04/46/52/329044652.db2.gz XHHDIDKVIPZDCK-MRXNPFEDSA-N 0 3 362.430 2.373 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920581 329172735 /nfs/dbraw/zinc/17/27/35/329172735.db2.gz CAQIJLIYKIAPRA-WCQYABFASA-N 0 3 351.403 2.167 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000266292174 329208603 /nfs/dbraw/zinc/20/86/03/329208603.db2.gz IPJFUMHXNQHTPB-LLVKDONJSA-N 0 3 361.320 2.016 20 5 FEBDHN CC[C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])N(CC)CC ZINC000266825893 329263488 /nfs/dbraw/zinc/26/34/88/329263488.db2.gz LNFHBZCFDPKIQD-AWEZNQCLSA-N 0 3 367.446 2.391 20 5 FEBDHN CN(c1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000266847938 329265492 /nfs/dbraw/zinc/26/54/92/329265492.db2.gz POSOXTDBFHPFHC-OAHLLOKOSA-N 0 3 369.425 2.190 20 5 FEBDHN CN(C)[C@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCSC1 ZINC000267041805 329285785 /nfs/dbraw/zinc/28/57/85/329285785.db2.gz CSIXFWDUTIEKAY-INIZCTEOSA-N 0 3 350.444 2.329 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267107031 329292517 /nfs/dbraw/zinc/29/25/17/329292517.db2.gz MGODRKCSMLRIQZ-OAHLLOKOSA-N 0 3 355.485 2.240 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267229048 329304418 /nfs/dbraw/zinc/30/44/18/329304418.db2.gz WBEIRBQPPHZKAW-MRXNPFEDSA-N 0 3 352.460 2.174 20 5 FEBDHN COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000269121980 329487897 /nfs/dbraw/zinc/48/78/97/329487897.db2.gz GABJKMKTDOYHPG-MLGOLLRUSA-N 0 3 354.428 2.453 20 5 FEBDHN O=[N+]([O-])c1cnc(NCCCCN2CCN(c3ccccc3)CC2)nc1 ZINC000273661297 329882520 /nfs/dbraw/zinc/88/25/20/329882520.db2.gz WBLLVKHCSLSEFO-UHFFFAOYSA-N 0 3 356.430 2.399 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000275461344 330051211 /nfs/dbraw/zinc/05/12/11/330051211.db2.gz NHTMZDZWYHXDOW-HNNXBMFYSA-N 0 3 351.403 2.025 20 5 FEBDHN COCCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000275765878 330086358 /nfs/dbraw/zinc/08/63/58/330086358.db2.gz PJDAVHJQLJYNFW-UHFFFAOYSA-N 0 3 366.418 2.226 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821022 330208063 /nfs/dbraw/zinc/20/80/63/330208063.db2.gz SLDRKOSWJANOFC-MAUKXSAKSA-N 0 3 371.441 2.160 20 5 FEBDHN CCCN1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369329610 330240194 /nfs/dbraw/zinc/24/01/94/330240194.db2.gz MSNFCPGSUMHHCN-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000426251804 330272198 /nfs/dbraw/zinc/27/21/98/330272198.db2.gz MNVLPKNZNREHSZ-UHFFFAOYSA-N 0 3 373.356 2.024 20 5 FEBDHN O=C(CCN1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352487 545620966 /nfs/dbraw/zinc/62/09/66/545620966.db2.gz MIBHCNCWVPQFJK-OAHLLOKOSA-N 0 3 356.382 2.472 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000157306362 545726222 /nfs/dbraw/zinc/72/62/22/545726222.db2.gz QFWBOVPZEVXOOU-IUODEOHRSA-N 0 3 351.378 2.055 20 5 FEBDHN COc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000158978903 545910137 /nfs/dbraw/zinc/91/01/37/545910137.db2.gz SCSPOEFZKJMKRF-OAHLLOKOSA-N 0 3 373.413 2.284 20 5 FEBDHN CC1(C)CN(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000171766232 546224377 /nfs/dbraw/zinc/22/43/77/546224377.db2.gz AHLISGDCESHCPO-UHFFFAOYSA-N 0 3 359.373 2.397 20 5 FEBDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174657627 546301958 /nfs/dbraw/zinc/30/19/58/546301958.db2.gz ZCZIUGPFQUGVAZ-CQSZACIVSA-N 0 3 358.320 2.303 20 5 FEBDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737327 561240358 /nfs/dbraw/zinc/24/03/58/561240358.db2.gz CWZZAJTVSJGLJO-GDBMZVCRSA-N 0 3 352.387 2.016 20 5 FEBDHN CS(=O)(=O)Nc1ccc(OCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000180356810 547090682 /nfs/dbraw/zinc/09/06/82/547090682.db2.gz HKXBSWRHUAXKCC-UHFFFAOYSA-N 0 3 365.411 2.135 20 5 FEBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767628 547549941 /nfs/dbraw/zinc/54/99/41/547549941.db2.gz RMSLLGSAWSDGAD-SNVBAGLBSA-N 0 3 356.810 2.033 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000182850996 547562014 /nfs/dbraw/zinc/56/20/14/547562014.db2.gz NUNJJZURVKYPKM-YJBOKZPZSA-N 0 3 360.458 2.203 20 5 FEBDHN C[C@@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000183293636 547633901 /nfs/dbraw/zinc/63/39/01/547633901.db2.gz XLLJXVJEKISBON-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000183331532 547638937 /nfs/dbraw/zinc/63/89/37/547638937.db2.gz QHWIDYKCZRRRBX-UHFFFAOYSA-N 0 3 374.485 2.279 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183453183 547663303 /nfs/dbraw/zinc/66/33/03/547663303.db2.gz FFYUYRVKZBEBAK-GOSISDBHSA-N 0 3 369.421 2.020 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183459318 547664391 /nfs/dbraw/zinc/66/43/91/547664391.db2.gz HQEVWEKIZTWOQC-DXCKQFNASA-N 0 3 365.430 2.280 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183770043 547717542 /nfs/dbraw/zinc/71/75/42/547717542.db2.gz FWYMMMZQDAZGSC-SFHVURJKSA-N 0 3 370.453 2.353 20 5 FEBDHN CN(C)Cc1cccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184189560 547783115 /nfs/dbraw/zinc/78/31/15/547783115.db2.gz OECCRUSFFPJBPK-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184267772 547797373 /nfs/dbraw/zinc/79/73/73/547797373.db2.gz ZXERKSDGGMQRFS-UHFFFAOYSA-N 0 3 357.414 2.296 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000184287931 547800553 /nfs/dbraw/zinc/80/05/53/547800553.db2.gz GDZOPZOLYKBFLN-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCN(C)C)CC2)c1 ZINC000485117596 561313135 /nfs/dbraw/zinc/31/31/35/561313135.db2.gz JWWCPGGALZETPX-UHFFFAOYSA-N 0 3 367.471 2.500 20 5 FEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186769547 548188598 /nfs/dbraw/zinc/18/85/98/548188598.db2.gz RYBSKVIDIYJOEC-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN COc1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000193972205 548415963 /nfs/dbraw/zinc/41/59/63/548415963.db2.gz DEIGTLAMEJVNQR-UHFFFAOYSA-N 0 3 371.459 2.145 20 5 FEBDHN COc1ccc(OCCN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195311034 548619266 /nfs/dbraw/zinc/61/92/66/548619266.db2.gz VCTFFEKEIJWZKD-GASCZTMLSA-N 0 3 367.446 2.023 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](C(C)C)C1 ZINC000487998460 561380865 /nfs/dbraw/zinc/38/08/65/561380865.db2.gz HSHLIKAWVOSXBF-INIZCTEOSA-N 0 3 364.446 2.204 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246038037 549040334 /nfs/dbraw/zinc/04/03/34/549040334.db2.gz AZRWXCJAUOXMSN-ZFWWWQNUSA-N 0 3 355.460 2.254 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246054289 549041936 /nfs/dbraw/zinc/04/19/36/549041936.db2.gz XQGUWSZBQZVXJT-BXUZGUMPSA-N 0 3 363.443 2.203 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246086074 549048542 /nfs/dbraw/zinc/04/85/42/549048542.db2.gz GGWYUQHCZPLHJD-KBPBESRZSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1C ZINC000246256102 549090869 /nfs/dbraw/zinc/09/08/69/549090869.db2.gz SZJZWHPYXWRDBP-KGLIPLIRSA-N 0 3 355.460 2.172 20 5 FEBDHN C[C@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000246960748 549251573 /nfs/dbraw/zinc/25/15/73/549251573.db2.gz BQKKXQNWMJQSKH-CABCVRRESA-N 0 3 374.441 2.179 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247634135 549367256 /nfs/dbraw/zinc/36/72/56/549367256.db2.gz TYLAHUYKCMSXAD-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247653273 549369143 /nfs/dbraw/zinc/36/91/43/549369143.db2.gz WRGSEPJRQGGIQE-AAEUAGOBSA-N 0 3 373.862 2.353 20 5 FEBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247687148 549371755 /nfs/dbraw/zinc/37/17/55/549371755.db2.gz SGAHHYFCFUHKHK-QGPMSJSTSA-N 0 3 360.414 2.114 20 5 FEBDHN CC(C)CCO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248453343 549440770 /nfs/dbraw/zinc/44/07/70/549440770.db2.gz JXOZPOXZTYBMBG-CVEARBPZSA-N 0 3 352.431 2.472 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000248473711 549447904 /nfs/dbraw/zinc/44/79/04/549447904.db2.gz LCWXHGXICRXFQJ-SWLSCSKDSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248918123 549528327 /nfs/dbraw/zinc/52/83/27/549528327.db2.gz WIHHHAQWLMASHY-PBHICJAKSA-N 0 3 371.441 2.127 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000249128498 549557240 /nfs/dbraw/zinc/55/72/40/549557240.db2.gz CSDYSGUWPSCBDQ-GXTWGEPZSA-N 0 3 362.430 2.091 20 5 FEBDHN CS[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000490860394 561439395 /nfs/dbraw/zinc/43/93/95/561439395.db2.gz ROROUIMRCZDAST-HUUCEWRRSA-N 0 3 351.472 2.376 20 5 FEBDHN CCN(CC)Cc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000269590763 550208746 /nfs/dbraw/zinc/20/87/46/550208746.db2.gz DOUAGRDAQUOTQS-UHFFFAOYSA-N 0 3 358.398 2.237 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270633446 550291102 /nfs/dbraw/zinc/29/11/02/550291102.db2.gz ORYIANIHBOMBSK-UHFFFAOYSA-N 0 3 374.485 2.154 20 5 FEBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486026 550452441 /nfs/dbraw/zinc/45/24/41/550452441.db2.gz RMEKRDNZRBGWET-ZFWWWQNUSA-N 0 3 355.398 2.085 20 5 FEBDHN COc1cc(CNCCN2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272653125 550463067 /nfs/dbraw/zinc/46/30/67/550463067.db2.gz QDXZBBVAGSYGJO-UHFFFAOYSA-N 0 3 359.373 2.433 20 5 FEBDHN CCc1nn(C)c(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273266034 550492162 /nfs/dbraw/zinc/49/21/62/550492162.db2.gz WIICZLKPJZEKQV-HNNXBMFYSA-N 0 3 359.430 2.069 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000273409588 550497681 /nfs/dbraw/zinc/49/76/81/550497681.db2.gz IKXQVCJXFFONIO-CYBMUJFWSA-N 0 3 355.460 2.087 20 5 FEBDHN CN(C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1=O ZINC000273465174 550499575 /nfs/dbraw/zinc/49/95/75/550499575.db2.gz NOAYQHFOANYJPS-UHFFFAOYSA-N 0 3 363.349 2.101 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274913547 550564348 /nfs/dbraw/zinc/56/43/48/550564348.db2.gz KGYQPFXOWLXULL-HNNXBMFYSA-N 0 3 357.414 2.267 20 5 FEBDHN CC(C)[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068679 550628253 /nfs/dbraw/zinc/62/82/53/550628253.db2.gz DRRCMGKHVPJQFA-WFASDCNBSA-N 0 3 358.485 2.488 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074429 550628883 /nfs/dbraw/zinc/62/88/83/550628883.db2.gz SWAIDEJKGXFPEI-GOEBONIOSA-N 0 3 358.442 2.408 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277420217 550668410 /nfs/dbraw/zinc/66/84/10/550668410.db2.gz CULHWVPVPZUIGM-ZDUSSCGKSA-N 0 3 361.398 2.113 20 5 FEBDHN COc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277618888 550692515 /nfs/dbraw/zinc/69/25/15/550692515.db2.gz WIDUICKPUPGFGO-OAHLLOKOSA-N 0 3 362.430 2.420 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278196199 550759539 /nfs/dbraw/zinc/75/95/39/550759539.db2.gz PIBAITMZUWMLIL-ZDUSSCGKSA-N 0 3 360.418 2.145 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278216164 550761821 /nfs/dbraw/zinc/76/18/21/550761821.db2.gz RNPBDPZTAGXAEZ-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495681 550792554 /nfs/dbraw/zinc/79/25/54/550792554.db2.gz AAHZNUZEOPYDTR-ATZDWAIDSA-N 0 3 371.437 2.421 20 5 FEBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000279133837 550857624 /nfs/dbraw/zinc/85/76/24/550857624.db2.gz WOIKEQHVGVXCJD-CVEARBPZSA-N 0 3 351.403 2.015 20 5 FEBDHN COCCCN(C)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280986085 551052249 /nfs/dbraw/zinc/05/22/49/551052249.db2.gz PYBGDFZTQWBQJW-UHFFFAOYSA-N 0 3 372.425 2.355 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281523803 551108899 /nfs/dbraw/zinc/10/88/99/551108899.db2.gz VSMVKFTZZQQFHR-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285319290 551737251 /nfs/dbraw/zinc/73/72/51/551737251.db2.gz RDMKOXGZWQUQPF-CFSAUIFESA-N 0 3 365.817 2.193 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359180 551743618 /nfs/dbraw/zinc/74/36/18/551743618.db2.gz QDPDKKPJYGPAQK-WMLDXEAASA-N 0 3 367.471 2.026 20 5 FEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000286009916 551837815 /nfs/dbraw/zinc/83/78/15/551837815.db2.gz JGASZGCZBCULGA-GOSISDBHSA-N 0 3 373.409 2.401 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954757 551944508 /nfs/dbraw/zinc/94/45/08/551944508.db2.gz HOZLICXRFSCCOM-CHWSQXEVSA-N 0 3 356.444 2.469 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCCCN2C)CC1 ZINC000287505309 552013075 /nfs/dbraw/zinc/01/30/75/552013075.db2.gz URHTVVNYIQBNPE-QGZVFWFLSA-N 0 3 360.458 2.404 20 5 FEBDHN CCc1nn(C)c(NCc2ccc(CN3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000288062768 552083535 /nfs/dbraw/zinc/08/35/35/552083535.db2.gz GDILPHOYFNDWSC-UHFFFAOYSA-N 0 3 372.473 2.250 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384554 552144595 /nfs/dbraw/zinc/14/45/95/552144595.db2.gz LYRMHICTUHBITL-STQMWFEESA-N 0 3 361.398 2.065 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000500808009 561583087 /nfs/dbraw/zinc/58/30/87/561583087.db2.gz LIIZSAYAVYERBK-HUUCEWRRSA-N 0 3 369.487 2.320 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000500795810 561582639 /nfs/dbraw/zinc/58/26/39/561582639.db2.gz PGMJMRZMLPKKLK-UHFFFAOYSA-N 0 3 371.441 2.382 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000500936235 561586058 /nfs/dbraw/zinc/58/60/58/561586058.db2.gz PSPITJIJRSTUBK-GDBMZVCRSA-N 0 3 369.487 2.272 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292703296 552750903 /nfs/dbraw/zinc/75/09/03/552750903.db2.gz DLVLENLVLZFJFO-MRXNPFEDSA-N 0 3 371.434 2.149 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292725226 552752661 /nfs/dbraw/zinc/75/26/61/552752661.db2.gz GCQSWZOQBVEDLO-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000293455030 552825741 /nfs/dbraw/zinc/82/57/41/552825741.db2.gz QCORRITUDUZMNV-ZDUSSCGKSA-N 0 3 374.441 2.175 20 5 FEBDHN C[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706833 552848912 /nfs/dbraw/zinc/84/89/12/552848912.db2.gz LRKNROJAIOEZDJ-RDTXWAMCSA-N 0 3 370.453 2.247 20 5 FEBDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295789998 553059313 /nfs/dbraw/zinc/05/93/13/553059313.db2.gz RMGPEUFDEXGFOM-WDEREUQCSA-N 0 3 364.427 2.263 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842725 553066725 /nfs/dbraw/zinc/06/67/25/553066725.db2.gz CZFWWDSMXLATPT-HZPDHXFCSA-N 0 3 363.414 2.479 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCC(O)CC2)CC1 ZINC000295845797 553067362 /nfs/dbraw/zinc/06/73/62/553067362.db2.gz ZUVNBPIWCASKHI-INIZCTEOSA-N 0 3 364.442 2.352 20 5 FEBDHN CCN(C)C(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000296091531 553103456 /nfs/dbraw/zinc/10/34/56/553103456.db2.gz DBBZNFLXRPGSLG-KRWDZBQOSA-N 0 3 364.446 2.324 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296423565 553157625 /nfs/dbraw/zinc/15/76/25/553157625.db2.gz VRKIHWDUURHPGT-ZTFGCOKTSA-N 0 3 357.410 2.031 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C[C@@H]2CCOC2)CC1 ZINC000297392515 553286715 /nfs/dbraw/zinc/28/67/15/553286715.db2.gz FESMYMFRFHRHCQ-AWEZNQCLSA-N 0 3 372.425 2.310 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccncn2)CC1 ZINC000298423327 553423271 /nfs/dbraw/zinc/42/32/71/553423271.db2.gz PTJKYPRUPRBUNP-OAHLLOKOSA-N 0 3 358.398 2.004 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000298820736 553477143 /nfs/dbraw/zinc/47/71/43/553477143.db2.gz BJZUMONRGVIKHI-ZBFHGGJFSA-N 0 3 374.441 2.235 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000298890858 553485792 /nfs/dbraw/zinc/48/57/92/553485792.db2.gz QOFIHXUQYXFTTL-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000299481572 553569307 /nfs/dbraw/zinc/56/93/07/553569307.db2.gz ZLDCASFRFUTYHO-IBGZPJMESA-N 0 3 374.441 2.094 20 5 FEBDHN Nc1nc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)ncc1[N+](=O)[O-] ZINC000301140100 553625637 /nfs/dbraw/zinc/62/56/37/553625637.db2.gz AIHBFRXNVSUFLU-UHFFFAOYSA-N 0 3 369.429 2.243 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CCN(c3ccncc3)CC2)c(Br)c1 ZINC000301574054 553662686 /nfs/dbraw/zinc/66/26/86/553662686.db2.gz YAVZZGVRIUIQMQ-UHFFFAOYSA-N 0 3 364.203 2.474 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CCC[C@@H](N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301869172 553686731 /nfs/dbraw/zinc/68/67/31/553686731.db2.gz GYUFBDZEZIUKSC-CQSZACIVSA-N 0 3 367.471 2.453 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000325214148 553775296 /nfs/dbraw/zinc/77/52/96/553775296.db2.gz NUUJOQDKIHCGOI-LBPRGKRZSA-N 0 3 373.862 2.415 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000507552108 561732884 /nfs/dbraw/zinc/73/28/84/561732884.db2.gz PDISHXOADPHHGN-OAHLLOKOSA-N 0 3 363.458 2.490 20 5 FEBDHN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429086 554120606 /nfs/dbraw/zinc/12/06/06/554120606.db2.gz ICPNKUJJGFFUKP-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429086 554120607 /nfs/dbraw/zinc/12/06/07/554120607.db2.gz ICPNKUJJGFFUKP-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN COc1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371394 554433763 /nfs/dbraw/zinc/43/37/63/554433763.db2.gz BCOXEHUYUOMCPD-RDJZCZTQSA-N 0 3 362.474 2.061 20 5 FEBDHN CC(C)[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000510890505 561849740 /nfs/dbraw/zinc/84/97/40/561849740.db2.gz RVTNYHDCYADEKS-HNNXBMFYSA-N 0 3 374.401 2.008 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000511072256 561855785 /nfs/dbraw/zinc/85/57/85/561855785.db2.gz DFPZHYIJIPLNIQ-UHFFFAOYSA-N 0 3 353.378 2.365 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(N3CCOCC3)CCCOC2)c(Cl)c1 ZINC000359958387 554857301 /nfs/dbraw/zinc/85/73/01/554857301.db2.gz JQNRHVTXHIQXDA-KRWDZBQOSA-N 0 3 369.849 2.219 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000363072549 555023908 /nfs/dbraw/zinc/02/39/08/555023908.db2.gz PPBIVAKTMJWBHB-UHFFFAOYSA-N 0 3 372.429 2.012 20 5 FEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000363695444 555166288 /nfs/dbraw/zinc/16/62/88/555166288.db2.gz BBFUEXDYJRGZNQ-DLBZAZTESA-N 0 3 372.400 2.367 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(CCc2ccncc2)CC1 ZINC000364036191 555237512 /nfs/dbraw/zinc/23/75/12/555237512.db2.gz JCMNCQOSZNVVDD-UHFFFAOYSA-N 0 3 368.437 2.356 20 5 FEBDHN CC(C)(O)CN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000364072644 555244586 /nfs/dbraw/zinc/24/45/86/555244586.db2.gz OCSZXGBBVXVXMH-UHFFFAOYSA-N 0 3 369.849 2.096 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000364204464 555269120 /nfs/dbraw/zinc/26/91/20/555269120.db2.gz KWHZOOVOXRBGMQ-IAGOWNOFSA-N 0 3 359.357 2.066 20 5 FEBDHN Nc1c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204393 555269262 /nfs/dbraw/zinc/26/92/62/555269262.db2.gz KLBQSBHBZGAXDB-UONOGXRCSA-N 0 3 362.336 2.022 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000513021588 561922721 /nfs/dbraw/zinc/92/27/21/561922721.db2.gz GNINAOCZPFLAFO-LYASGUKUSA-N 0 3 353.444 2.012 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365496068 555591050 /nfs/dbraw/zinc/59/10/50/555591050.db2.gz TVGUNZYEYPIDDG-AWEZNQCLSA-N 0 3 357.366 2.419 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540001 555603265 /nfs/dbraw/zinc/60/32/65/555603265.db2.gz QIYLJPRKCHPRIH-FHLIZLRMSA-N 0 3 361.442 2.143 20 5 FEBDHN CN(C)Cc1cccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365926855 555702951 /nfs/dbraw/zinc/70/29/51/555702951.db2.gz GCADFRCJVVECAB-UHFFFAOYSA-N 0 3 357.414 2.330 20 5 FEBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@H]12 ZINC000366478516 555856223 /nfs/dbraw/zinc/85/62/23/555856223.db2.gz FCCOHQOFPLFMNW-GXTWGEPZSA-N 0 3 371.418 2.418 20 5 FEBDHN O=C1NC(=O)[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]12 ZINC000366482906 555856819 /nfs/dbraw/zinc/85/68/19/555856819.db2.gz OQJWCRRHJNRSLE-CABCVRRESA-N 0 3 371.418 2.418 20 5 FEBDHN CC(=O)c1cccc(OC[C@@H](O)CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000514598699 561968938 /nfs/dbraw/zinc/96/89/38/561968938.db2.gz IIHHYMMZHWNVOI-KRWDZBQOSA-N 0 3 358.394 2.369 20 5 FEBDHN Nc1nccc([C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366991763 555991407 /nfs/dbraw/zinc/99/14/07/555991407.db2.gz ZRZWMUJGWBCWJU-CQSZACIVSA-N 0 3 357.414 2.616 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000515216821 562001278 /nfs/dbraw/zinc/00/12/78/562001278.db2.gz PMPBCRTVMBUXRQ-KGLIPLIRSA-N 0 3 355.460 2.277 20 5 FEBDHN CCOc1cccc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000368871304 556434369 /nfs/dbraw/zinc/43/43/69/556434369.db2.gz XQNJJQISAWPGAR-JKSUJKDBSA-N 0 3 362.474 2.456 20 5 FEBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN2CCC1CC2 ZINC000368972349 556464124 /nfs/dbraw/zinc/46/41/24/556464124.db2.gz DZZCLNAZBNLWEM-UHFFFAOYSA-N 0 3 358.442 2.118 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CN(c4ccccc4)CCO3)CC2)n1 ZINC000516191918 562035091 /nfs/dbraw/zinc/03/50/91/562035091.db2.gz ZFSJTEAHDWRBDV-SFHVURJKSA-N 0 3 371.441 2.334 20 5 FEBDHN CC1CCC(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369781129 556692931 /nfs/dbraw/zinc/69/29/31/556692931.db2.gz AOHLVXGYCGWXCP-WIHSUSGWSA-N 0 3 366.462 2.212 20 5 FEBDHN Cc1cccc(C)c1OC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369782304 556693071 /nfs/dbraw/zinc/69/30/71/556693071.db2.gz MMVQGJOHSVEFLH-KRWDZBQOSA-N 0 3 374.441 2.312 20 5 FEBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000369855102 556713503 /nfs/dbraw/zinc/71/35/03/556713503.db2.gz CKKAFCKCBMSSRC-SFHVURJKSA-N 0 3 363.414 2.193 20 5 FEBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516375 562045629 /nfs/dbraw/zinc/04/56/29/562045629.db2.gz BYXGZDMNUJWVIU-KBPBESRZSA-N 0 3 361.402 2.477 20 5 FEBDHN Cc1cnn([C@H]2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000516999390 562070209 /nfs/dbraw/zinc/07/02/09/562070209.db2.gz PSVCVFCQUVFDRU-HNNXBMFYSA-N 0 3 371.397 2.345 20 5 FEBDHN Nc1c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC000371253410 557120496 /nfs/dbraw/zinc/12/04/96/557120496.db2.gz JXLBXPIFOMRJJA-HWWDLCQESA-N 0 3 352.394 2.037 20 5 FEBDHN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371334604 557150674 /nfs/dbraw/zinc/15/06/74/557150674.db2.gz HAYGBLFNUHERLE-WMLDXEAASA-N 0 3 350.438 2.192 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371355133 557157671 /nfs/dbraw/zinc/15/76/71/557157671.db2.gz OTMGMPSJYGSOHY-MZKHAQQWSA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000518103930 562104546 /nfs/dbraw/zinc/10/45/46/562104546.db2.gz MVLWIJPZOVYVGQ-ZIAGYGMSSA-N 0 3 362.430 2.221 20 5 FEBDHN Cc1ccc(OC[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000373227586 557653734 /nfs/dbraw/zinc/65/37/34/557653734.db2.gz GGTGORYSYMLQLH-QGZVFWFLSA-N 0 3 374.441 2.485 20 5 FEBDHN CN1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000373289333 557666015 /nfs/dbraw/zinc/66/60/15/557666015.db2.gz QDXGEVMMCODEON-NHYWBVRUSA-N 0 3 361.427 2.288 20 5 FEBDHN CC(C)NC(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672498 557735564 /nfs/dbraw/zinc/73/55/64/557735564.db2.gz IEPDOFADDIGQBG-GJZGRUSLSA-N 0 3 362.430 2.008 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000373788034 557759309 /nfs/dbraw/zinc/75/93/09/557759309.db2.gz JTHBETSOCHUPDX-INIZCTEOSA-N 0 3 362.474 2.063 20 5 FEBDHN Cn1cc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585477 557902459 /nfs/dbraw/zinc/90/24/59/557902459.db2.gz NIVSWUABFHNYPH-SJORKVTESA-N 0 3 369.425 2.238 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000375206106 557991810 /nfs/dbraw/zinc/99/18/10/557991810.db2.gz HDLYMVUGJDRZOQ-AWEZNQCLSA-N 0 3 353.444 2.031 20 5 FEBDHN O=C(c1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556450 558048106 /nfs/dbraw/zinc/04/81/06/558048106.db2.gz GWTHREZWGCYTHZ-HZPDHXFCSA-N 0 3 374.441 2.106 20 5 FEBDHN COc1ccccc1N1CC[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375673972 558066024 /nfs/dbraw/zinc/06/60/24/558066024.db2.gz RROSFBMSDMZVNN-OAHLLOKOSA-N 0 3 359.430 2.401 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817764 558084587 /nfs/dbraw/zinc/08/45/87/558084587.db2.gz GFRNADQZBZXJJL-RHSMWYFYSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000376345286 558160927 /nfs/dbraw/zinc/16/09/27/558160927.db2.gz ZQQSBPJLORJOQB-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN CC(=O)c1cc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450855 558175058 /nfs/dbraw/zinc/17/50/58/558175058.db2.gz SGWCMZBDDGJRSG-AWEZNQCLSA-N 0 3 360.458 2.402 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378113296 558484193 /nfs/dbraw/zinc/48/41/93/558484193.db2.gz PQJHGYUNTRZFOK-MEQKGCOVSA-N 0 3 372.469 2.235 20 5 FEBDHN COc1ccc([C@@H]2[C@@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCCN2C)cc1 ZINC000378306843 558525361 /nfs/dbraw/zinc/52/53/61/558525361.db2.gz AGFQXKIVIJOOPJ-CXAGYDPISA-N 0 3 373.413 2.139 20 5 FEBDHN Cc1c(CC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364645 558539599 /nfs/dbraw/zinc/53/95/99/558539599.db2.gz CYIYPLMHVPRMTG-OAHLLOKOSA-N 0 3 374.485 2.073 20 5 FEBDHN Cc1c(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367410 558541076 /nfs/dbraw/zinc/54/10/76/558541076.db2.gz DKEIFLDTMPDISQ-CQSZACIVSA-N 0 3 360.458 2.144 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000378495748 558569461 /nfs/dbraw/zinc/56/94/61/558569461.db2.gz MLYHAZUWIMOACI-APWZRJJASA-N 0 3 358.394 2.274 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000523947681 562222076 /nfs/dbraw/zinc/22/20/76/562222076.db2.gz MEPXYTJFPANIRV-INIZCTEOSA-N 0 3 359.430 2.217 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000524719279 562233025 /nfs/dbraw/zinc/23/30/25/562233025.db2.gz AUWMQLJMAAEINZ-CYBMUJFWSA-N 0 3 357.414 2.067 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524869520 562236477 /nfs/dbraw/zinc/23/64/77/562236477.db2.gz LUQSIUPAOHSXPM-OLZOCXBDSA-N 0 3 371.459 2.097 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000411169908 558848109 /nfs/dbraw/zinc/84/81/09/558848109.db2.gz FLWAYTLGROAKNR-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000525385595 562247020 /nfs/dbraw/zinc/24/70/20/562247020.db2.gz CJSBUOTVBNKJHG-KBPBESRZSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1cnn(C)c1 ZINC000411498625 558905813 /nfs/dbraw/zinc/90/58/13/558905813.db2.gz PJXQQEURIVRTIQ-GFCCVEGCSA-N 0 3 361.402 2.359 20 5 FEBDHN CN(C)C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000411907717 558985939 /nfs/dbraw/zinc/98/59/39/558985939.db2.gz GOTTUYXHLDKTPE-CYBMUJFWSA-N 0 3 358.398 2.074 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCCN2C2CC2)c1F ZINC000412289089 559025236 /nfs/dbraw/zinc/02/52/36/559025236.db2.gz GWJFJYUYIQUACR-CYBMUJFWSA-N 0 3 365.405 2.418 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413128000 559080989 /nfs/dbraw/zinc/08/09/89/559080989.db2.gz CJFQUMFBKUAAAN-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415851847 559278675 /nfs/dbraw/zinc/27/86/75/559278675.db2.gz ZOXYMMNFGNBVNS-INIZCTEOSA-N 0 3 370.409 2.220 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409009 559310695 /nfs/dbraw/zinc/31/06/95/559310695.db2.gz TVJMLSKDQGJGHW-UONOGXRCSA-N 0 3 355.460 2.172 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000416482420 559316518 /nfs/dbraw/zinc/31/65/18/559316518.db2.gz FZIKKEQSAHBGQY-VIFPVBQESA-N 0 3 369.365 2.090 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)c1C ZINC000416505243 559318404 /nfs/dbraw/zinc/31/84/04/559318404.db2.gz CDIAZPDLRZGWOF-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)c1C ZINC000416505243 559318405 /nfs/dbraw/zinc/31/84/05/559318405.db2.gz CDIAZPDLRZGWOF-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569390 559322430 /nfs/dbraw/zinc/32/24/30/559322430.db2.gz YAZUILZJNZGODY-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN N[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000418423112 559400880 /nfs/dbraw/zinc/40/08/80/559400880.db2.gz FEOOWWRVLRYARN-KRWDZBQOSA-N 0 3 356.382 2.067 20 5 FEBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338566 559438089 /nfs/dbraw/zinc/43/80/89/559438089.db2.gz LJICXLLJDUJAHX-CABCVRRESA-N 0 3 374.441 2.179 20 5 FEBDHN O=C(CN1CCNC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420395991 559485110 /nfs/dbraw/zinc/48/51/10/559485110.db2.gz DWONHVOQQWRDDL-LJQANCHMSA-N 0 3 366.421 2.130 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCc4nnnn4CC3)o2)c1 ZINC000421392879 559541103 /nfs/dbraw/zinc/54/11/03/559541103.db2.gz CUVODZMADFGURE-CYBMUJFWSA-N 0 3 354.370 2.336 20 5 FEBDHN COc1ccc(-c2ccc(CN(C[C@H](O)CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000421414655 559541864 /nfs/dbraw/zinc/54/18/64/559541864.db2.gz ZVRVSALMOJMWSW-ZDUSSCGKSA-N 0 3 364.398 2.427 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCNCc2cccnc2)c1 ZINC000422726845 559604627 /nfs/dbraw/zinc/60/46/27/559604627.db2.gz ANWRXVSNBIGZDY-UHFFFAOYSA-N 0 3 358.398 2.298 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483970 559630074 /nfs/dbraw/zinc/63/00/74/559630074.db2.gz QMIYWPISPGLSHC-KGLIPLIRSA-N 0 3 351.357 2.005 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000423944102 559647437 /nfs/dbraw/zinc/64/74/37/559647437.db2.gz RWACBCAFRPEMKQ-MRXNPFEDSA-N 0 3 356.426 2.410 20 5 FEBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000423991044 559649299 /nfs/dbraw/zinc/64/92/99/559649299.db2.gz KYLJHHDBBDVCEJ-CQSZACIVSA-N 0 3 373.434 2.464 20 5 FEBDHN CC[C@@]1(CO)CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000426465769 559735101 /nfs/dbraw/zinc/73/51/01/559735101.db2.gz BYDVGRIHDNFVSK-GOSISDBHSA-N 0 3 363.414 2.377 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000426869781 559743335 /nfs/dbraw/zinc/74/33/35/559743335.db2.gz VVNOZCIKEZABNL-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN CNc1c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428543315 559777805 /nfs/dbraw/zinc/77/78/05/559777805.db2.gz WEULAQKTHBGKDK-OAHLLOKOSA-N 0 3 370.409 2.455 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428555044 559778248 /nfs/dbraw/zinc/77/82/48/559778248.db2.gz WJAQREWAVVJUHH-MRXNPFEDSA-N 0 3 371.393 2.422 20 5 FEBDHN C[C@@H]1C[C@H]1N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999076 559787721 /nfs/dbraw/zinc/78/77/21/559787721.db2.gz RZQLDYXJVNAMAG-IIDMSEBBSA-N 0 3 360.458 2.220 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438945291 559985997 /nfs/dbraw/zinc/98/59/97/559985997.db2.gz GEOMTFODBSJLHX-HNNXBMFYSA-N 0 3 355.460 2.384 20 5 FEBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000439737350 559999445 /nfs/dbraw/zinc/99/94/45/559999445.db2.gz GXUZJBZXIQNCBK-CYBMUJFWSA-N 0 3 357.414 2.284 20 5 FEBDHN COC(=O)[C@@H]1CC12CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000441396124 560031275 /nfs/dbraw/zinc/03/12/75/560031275.db2.gz UAGRIVIOSCTJHT-AWEZNQCLSA-N 0 3 364.398 2.257 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000443712543 560090897 /nfs/dbraw/zinc/09/08/97/560090897.db2.gz WNYAADWRRLHNCC-KBPBESRZSA-N 0 3 355.460 2.277 20 5 FEBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(C)C ZINC000444166354 560103859 /nfs/dbraw/zinc/10/38/59/560103859.db2.gz BEFBMRSWXOUCPC-UHFFFAOYSA-N 0 3 366.443 2.152 20 5 FEBDHN CN(C)Cc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444633350 560117183 /nfs/dbraw/zinc/11/71/83/560117183.db2.gz SQFQAZFTHRVXOQ-UHFFFAOYSA-N 0 3 353.382 2.463 20 5 FEBDHN [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447251593 560158812 /nfs/dbraw/zinc/15/88/12/560158812.db2.gz VFAWXZJOTGWBOD-SWKMLJDHSA-N 0 3 373.862 2.433 20 5 FEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595810 560165038 /nfs/dbraw/zinc/16/50/38/560165038.db2.gz AOOKRYDVMNOOKA-RCCFBDPRSA-N 0 3 350.415 2.382 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170265 560218871 /nfs/dbraw/zinc/21/88/71/560218871.db2.gz GAQUVOMLTUGRIO-DZGCQCFKSA-N 0 3 357.414 2.045 20 5 FEBDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231871 /nfs/dbraw/zinc/23/18/71/560231871.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 0 3 374.485 2.361 20 5 FEBDHN CC[C@H]1CN(CC)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449567127 560233801 /nfs/dbraw/zinc/23/38/01/560233801.db2.gz ULNOPDXYJWRICD-HNNXBMFYSA-N 0 3 365.430 2.063 20 5 FEBDHN C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450547764 560265786 /nfs/dbraw/zinc/26/57/86/560265786.db2.gz PCIXQFSVWBHKIB-INIZCTEOSA-N 0 3 374.485 2.348 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481130 560309564 /nfs/dbraw/zinc/30/95/64/560309564.db2.gz AETHAVKMGGZHAQ-RHSMWYFYSA-N 0 3 351.403 2.335 20 5 FEBDHN CC(C)[C@H](CO)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599699 560316707 /nfs/dbraw/zinc/31/67/07/560316707.db2.gz QTKJNGHNNNVTIQ-WMZOPIPTSA-N 0 3 351.447 2.436 20 5 FEBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451622022 560317686 /nfs/dbraw/zinc/31/76/86/560317686.db2.gz BQEPBVBHKHXQNE-CHWSQXEVSA-N 0 3 372.219 2.453 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000451919771 560337429 /nfs/dbraw/zinc/33/74/29/560337429.db2.gz UGMKEMVXIRHJLF-OAHLLOKOSA-N 0 3 366.849 2.035 20 5 FEBDHN CCN1CCN(CC(C)(C)NCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000451978740 560341792 /nfs/dbraw/zinc/34/17/92/560341792.db2.gz GATNZKCKFSVAGK-UHFFFAOYSA-N 0 3 356.417 2.379 20 5 FEBDHN CC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453078591 560383008 /nfs/dbraw/zinc/38/30/08/560383008.db2.gz GPOVQBMPKCYLDO-MRXNPFEDSA-N 0 3 364.427 2.009 20 5 FEBDHN O=C(NC[C@H]1CCCN1CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454192204 560433998 /nfs/dbraw/zinc/43/39/98/560433998.db2.gz BBNYNTIUVONPAK-GFCCVEGCSA-N 0 3 356.810 2.217 20 5 FEBDHN CN(C)C1(CNC(=O)NCc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000465582087 560869160 /nfs/dbraw/zinc/86/91/60/560869160.db2.gz ZDBHITZRUICUMU-UHFFFAOYSA-N 0 3 368.437 2.493 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020997 560901753 /nfs/dbraw/zinc/90/17/53/560901753.db2.gz DAIHEBCVCZFTDS-SMDDNHRTSA-N 0 3 363.414 2.215 20 5 FEBDHN CCN(CC)S(=O)(=O)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468655295 560935127 /nfs/dbraw/zinc/93/51/27/560935127.db2.gz JCWVPFTVAJPFRW-KAMYIIQDSA-N 0 3 355.460 2.259 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134256 560975089 /nfs/dbraw/zinc/97/50/89/560975089.db2.gz CQFYZYNESLXKJY-HNNXBMFYSA-N 0 3 354.382 2.308 20 5 FEBDHN COC(=O)c1cn([C@H]2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208205 560976734 /nfs/dbraw/zinc/97/67/34/560976734.db2.gz GOTDCSGSXBEQNL-OIQJVACTSA-N 0 3 371.397 2.323 20 5 FEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470813176 560990532 /nfs/dbraw/zinc/99/05/32/560990532.db2.gz TYFFNIUJEPSION-RDJZCZTQSA-N 0 3 359.405 2.429 20 5 FEBDHN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000471132176 560998802 /nfs/dbraw/zinc/99/88/02/560998802.db2.gz VEGNSBOXSDPAAP-BBRMVZONSA-N 0 3 359.430 2.334 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCCN(C)C ZINC000471641160 561009458 /nfs/dbraw/zinc/00/94/58/561009458.db2.gz DTOMFZXERLBPSE-UHFFFAOYSA-N 0 3 352.435 2.093 20 5 FEBDHN CNC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636579 561031579 /nfs/dbraw/zinc/03/15/79/561031579.db2.gz GGIYJDMOWHOTNY-HZPDHXFCSA-N 0 3 357.414 2.424 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345189 561071737 /nfs/dbraw/zinc/07/17/37/561071737.db2.gz AFPBWEPQHMMSKE-JLZZUVOBSA-N 0 3 364.398 2.050 20 5 FEBDHN COc1c(C(=O)NCc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000475591924 561100576 /nfs/dbraw/zinc/10/05/76/561100576.db2.gz QPTHMTLZORGELD-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COC(=O)COc1ccc(CN(C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000475697588 561102581 /nfs/dbraw/zinc/10/25/81/561102581.db2.gz GVDCQMJHMHZJFZ-UHFFFAOYSA-N 0 3 366.414 2.395 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000477006948 561134217 /nfs/dbraw/zinc/13/42/17/561134217.db2.gz BACXNSBDZKPGOM-XHDPSFHLSA-N 0 3 363.443 2.203 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531824437 562458011 /nfs/dbraw/zinc/45/80/11/562458011.db2.gz DZHFEJRMOBSNQD-LBPRGKRZSA-N 0 3 351.403 2.072 20 5 FEBDHN CS[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000541843665 567957542 /nfs/dbraw/zinc/95/75/42/567957542.db2.gz HXOLGFAFJGXLOW-HZPDHXFCSA-N 0 3 364.471 2.045 20 5 FEBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736264020 598500636 /nfs/dbraw/zinc/50/06/36/598500636.db2.gz AZDQTIXXXVNIBD-LLVKDONJSA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736264020 598500638 /nfs/dbraw/zinc/50/06/38/598500638.db2.gz AZDQTIXXXVNIBD-LLVKDONJSA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736264020 598500640 /nfs/dbraw/zinc/50/06/40/598500640.db2.gz AZDQTIXXXVNIBD-LLVKDONJSA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736264020 598500642 /nfs/dbraw/zinc/50/06/42/598500642.db2.gz AZDQTIXXXVNIBD-LLVKDONJSA-N 0 3 360.422 2.092 20 5 FEBDHN COCCN1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557561994 674454198 /nfs/dbraw/zinc/45/41/98/674454198.db2.gz BJJWTEWJUDZHRG-CYBMUJFWSA-N 0 3 351.403 2.213 20 5 FEBDHN CC(COC(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000813102496 674719491 /nfs/dbraw/zinc/71/94/91/674719491.db2.gz GITZXZKVKLCKRW-JTQLQIEISA-N 0 3 351.384 2.167 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[N+](=O)[O-] ZINC000813103084 674719689 /nfs/dbraw/zinc/71/96/89/674719689.db2.gz NBEGELGQCZJEGJ-STQMWFEESA-N 0 3 370.427 2.072 20 5 FEBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[N+](=O)[O-] ZINC000813106292 674720069 /nfs/dbraw/zinc/72/00/69/674720069.db2.gz ACTXIYOLRHYAFH-VHSXEESVSA-N 0 3 352.334 2.087 20 5 FEBDHN C[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CN(C)C ZINC000813615208 674762145 /nfs/dbraw/zinc/76/21/45/674762145.db2.gz OSRBZWNKEAQQQH-VIFPVBQESA-N 0 3 369.365 2.498 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCN2CCCC2)cc1C ZINC000564494099 675028210 /nfs/dbraw/zinc/02/82/10/675028210.db2.gz DQFFMYWODPIZPR-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000032663165 670130851 /nfs/dbraw/zinc/13/08/51/670130851.db2.gz SFMYMBHOCBCZAF-NSHDSACASA-N 0 3 350.375 2.416 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000817677849 675160592 /nfs/dbraw/zinc/16/05/92/675160592.db2.gz HXMUAKSRFPDNAF-LLVKDONJSA-N 0 3 368.821 2.373 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000573061177 671076378 /nfs/dbraw/zinc/07/63/78/671076378.db2.gz ZWZGZRUOEZFXLF-YGRLFVJLSA-N 0 3 368.231 2.442 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2nccs2)cc1 ZINC000575117622 671299376 /nfs/dbraw/zinc/29/93/76/671299376.db2.gz XYRKRWYZOUKFKC-UHFFFAOYSA-N 0 3 355.441 2.047 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC000575141164 671301067 /nfs/dbraw/zinc/30/10/67/671301067.db2.gz LPDLPQZNWYOSIT-CYBMUJFWSA-N 0 3 365.821 2.497 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119950465 671912891 /nfs/dbraw/zinc/91/28/91/671912891.db2.gz JEUAZRKCWZRDRR-IJLUTSLNSA-N 0 3 361.489 2.301 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610906174 676004978 /nfs/dbraw/zinc/00/49/78/676004978.db2.gz QQIKGRKRNYPBAE-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN O=C(CNC1(CO)CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000179064002 672398540 /nfs/dbraw/zinc/39/85/40/672398540.db2.gz ZNNDIIWWLXTPBA-UHFFFAOYSA-N 0 3 372.219 2.191 20 5 FEBDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000589103475 672505684 /nfs/dbraw/zinc/50/56/84/672505684.db2.gz LYONBRLIWZBYOI-LBPRGKRZSA-N 0 3 370.456 2.019 20 5 FEBDHN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529476 672934852 /nfs/dbraw/zinc/93/48/52/672934852.db2.gz BRWXRNFMHXJOOY-KBPBESRZSA-N 0 3 370.475 2.026 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000594046070 673025325 /nfs/dbraw/zinc/02/53/25/673025325.db2.gz ORFPJKWSHBRUIM-CQSZACIVSA-N 0 3 351.403 2.489 20 5 FEBDHN C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000594820262 673152452 /nfs/dbraw/zinc/15/24/52/673152452.db2.gz AFSOYOZFDUHBNH-SECBINFHSA-N 0 3 369.365 2.232 20 5 FEBDHN COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595615956 673273784 /nfs/dbraw/zinc/27/37/84/673273784.db2.gz OGJXQBAVISJMPS-CQSZACIVSA-N 0 3 371.821 2.218 20 5 FEBDHN CC(C)n1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000596131555 673361917 /nfs/dbraw/zinc/36/19/17/673361917.db2.gz PCBPAHLMWFDMJE-SNVBAGLBSA-N 0 3 364.431 2.486 20 5 FEBDHN CCOc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000537924061 673414172 /nfs/dbraw/zinc/41/41/72/673414172.db2.gz MHBAFIVCLRMHQQ-ZFWWWQNUSA-N 0 3 353.444 2.111 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)c(C)c1[N+](=O)[O-] ZINC000598607414 673589143 /nfs/dbraw/zinc/58/91/43/673589143.db2.gz KGIKWDWYTXXIOK-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608639 673589859 /nfs/dbraw/zinc/58/98/59/673589859.db2.gz OIFCJYBLUPXLJZ-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000599108569 673634053 /nfs/dbraw/zinc/63/40/53/673634053.db2.gz NKBLNPYAOYCNLX-UHFFFAOYSA-N 0 3 358.364 2.297 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599390511 673668475 /nfs/dbraw/zinc/66/84/75/673668475.db2.gz JAPXEHCRNKRTBY-MRXNPFEDSA-N 0 3 367.471 2.421 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375552 673851191 /nfs/dbraw/zinc/85/11/91/673851191.db2.gz XPJRTNURKPBGLM-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CCCN2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601409569 673857589 /nfs/dbraw/zinc/85/75/89/673857589.db2.gz SEBLPYWLFNIGCX-UHFFFAOYSA-N 0 3 359.423 2.149 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@@]2(CCO)CCOC2)cc1Br ZINC000602569282 673907906 /nfs/dbraw/zinc/90/79/06/673907906.db2.gz OTCZCVQHPFEBNE-GFCCVEGCSA-N 0 3 365.249 2.298 20 5 FEBDHN CCc1cnc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000567685239 675312543 /nfs/dbraw/zinc/31/25/43/675312543.db2.gz XTQBQPALOBQONG-UHFFFAOYSA-N 0 3 369.468 2.220 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820651863 675376670 /nfs/dbraw/zinc/37/66/70/675376670.db2.gz LHNWQENVOXOVGP-UHFFFAOYSA-N 0 3 372.828 2.378 20 5 FEBDHN O=C(N1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1)C(F)(F)F ZINC000824829787 675624329 /nfs/dbraw/zinc/62/43/29/675624329.db2.gz RBCJUBBYELKWOU-QWHCGFSZSA-N 0 3 357.332 2.437 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC000827449762 675756692 /nfs/dbraw/zinc/75/66/92/675756692.db2.gz JOKXUEZDJDVTIO-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN CN(C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccs1 ZINC000603929001 675802008 /nfs/dbraw/zinc/80/20/08/675802008.db2.gz MBGRMISALMEGTJ-GFCCVEGCSA-N 0 3 370.456 2.019 20 5 FEBDHN CCOC(=O)CC(C)(C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000838840836 680721836 /nfs/dbraw/zinc/72/18/36/680721836.db2.gz MZOCUXYFCDEQPG-ZDUSSCGKSA-N 0 3 350.419 2.455 20 5 FEBDHN CN1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839715272 680774035 /nfs/dbraw/zinc/77/40/35/680774035.db2.gz CMRPXGYYGDHIFQ-DRABBMOASA-N 0 3 355.797 2.253 20 5 FEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830990625 679905984 /nfs/dbraw/zinc/90/59/84/679905984.db2.gz KEBXNPVNMNQVBU-PWSUYJOCSA-N 0 3 355.778 2.118 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368218 680458931 /nfs/dbraw/zinc/45/89/31/680458931.db2.gz MNZNUTCKJNGBGN-LBPRGKRZSA-N 0 3 356.810 2.217 20 5 FEBDHN O=C(NCC1CCN(Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400486 680460594 /nfs/dbraw/zinc/46/05/94/680460594.db2.gz RNKNGZGRAXNFLU-CZUORRHYSA-N 0 3 369.824 2.473 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000836847839 680522283 /nfs/dbraw/zinc/52/22/83/680522283.db2.gz FTMCGNNOLWEQMU-PELKAZGASA-N 0 3 372.194 2.273 20 5 FEBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[N+](=O)[O-] ZINC000842363794 680941299 /nfs/dbraw/zinc/94/12/99/680941299.db2.gz PAGSZKBPOIVSAG-VIFPVBQESA-N 0 3 351.309 2.461 20 5 FEBDHN CC(COC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000842802024 680967949 /nfs/dbraw/zinc/96/79/49/680967949.db2.gz QEOYUDCPOGQMEL-SECBINFHSA-N 0 3 351.309 2.461 20 5 FEBDHN C[C@H](C[C@@H](O)c1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099167 680987539 /nfs/dbraw/zinc/98/75/39/680987539.db2.gz CJUTXSVDAJLWOV-IUODEOHRSA-N 0 3 368.411 2.063 20 5 FEBDHN C[C@@H](C[C@H](O)c1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099170 680987594 /nfs/dbraw/zinc/98/75/94/680987594.db2.gz CJUTXSVDAJLWOV-WFASDCNBSA-N 0 3 368.411 2.063 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933466076 681417188 /nfs/dbraw/zinc/41/71/88/681417188.db2.gz YDZOURGBNZZTGN-CYBMUJFWSA-N 0 3 353.423 2.041 20 5 FEBDHN CCN1CCN(CCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913384646 685476043 /nfs/dbraw/zinc/47/60/43/685476043.db2.gz AAXKJZKQPHKJDT-UHFFFAOYSA-N 0 3 372.828 2.031 20 5 FEBDHN CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000850607794 681925325 /nfs/dbraw/zinc/92/53/25/681925325.db2.gz RLKFIGFCAJVBPB-LBPRGKRZSA-N 0 3 368.821 2.129 20 5 FEBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(CC)C1 ZINC000850607231 681925336 /nfs/dbraw/zinc/92/53/36/681925336.db2.gz UZWUYLGIHXRISA-GFCCVEGCSA-N 0 3 368.821 2.129 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917908866 685535589 /nfs/dbraw/zinc/53/55/89/685535589.db2.gz KDYDLMFIRHVIMY-VXGBXAGGSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917908866 685535590 /nfs/dbraw/zinc/53/55/90/685535590.db2.gz KDYDLMFIRHVIMY-VXGBXAGGSA-N 0 3 359.835 2.153 20 5 FEBDHN COc1cc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000853918769 682488839 /nfs/dbraw/zinc/48/88/39/682488839.db2.gz OXOYPHOMZLCPQS-CYBMUJFWSA-N 0 3 351.403 2.277 20 5 FEBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791209380 682728601 /nfs/dbraw/zinc/72/86/01/682728601.db2.gz ODGZJUORDYNDMD-UHFFFAOYSA-N 0 3 352.410 2.262 20 5 FEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H](C)N1 ZINC000856409112 682776876 /nfs/dbraw/zinc/77/68/76/682776876.db2.gz DLPNOHJXNMTUDF-JOYOIKCWSA-N 0 3 350.375 2.332 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160217 683315926 /nfs/dbraw/zinc/31/59/26/683315926.db2.gz GDQSRGISNQGHCC-JTQLQIEISA-N 0 3 371.235 2.357 20 5 FEBDHN COCCN1CCC[C@H]1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000861031981 683334142 /nfs/dbraw/zinc/33/41/42/683334142.db2.gz FXPXREIFRPCUGQ-AWEZNQCLSA-N 0 3 354.428 2.341 20 5 FEBDHN CN(C)S(=O)(=O)Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000922457919 683727111 /nfs/dbraw/zinc/72/71/11/683727111.db2.gz MSGSOEHNKFBPOQ-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(O)CCC2(CC1)OCCO2 ZINC000922624393 683757116 /nfs/dbraw/zinc/75/71/16/683757116.db2.gz PMJMGVPQEILKQK-UHFFFAOYSA-N 0 3 356.806 2.386 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000931296453 684257422 /nfs/dbraw/zinc/25/74/22/684257422.db2.gz HKBYZIUUCOXRGV-QWHCGFSZSA-N 0 3 368.821 2.311 20 5 FEBDHN Nc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000931654165 684320885 /nfs/dbraw/zinc/32/08/85/684320885.db2.gz YYQBTHNSGPKTNY-SECBINFHSA-N 0 3 356.785 2.280 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000885857829 688170552 /nfs/dbraw/zinc/17/05/52/688170552.db2.gz IHAXSWTXDBVRPS-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN C[C@]1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892781111 689242937 /nfs/dbraw/zinc/24/29/37/689242937.db2.gz UZKOBBFEFOIMKG-INIZCTEOSA-N 0 3 355.341 2.410 20 5 FEBDHN O=[N+]([O-])c1ccc(CCO)c(-c2nc(C(F)(F)F)n3c2CNCC3)c1 ZINC000904813673 691046858 /nfs/dbraw/zinc/04/68/58/691046858.db2.gz LMNIRUFLCAEBHP-UHFFFAOYSA-N 0 3 356.304 2.115 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(CCCO)C1 ZINC000908541074 691695646 /nfs/dbraw/zinc/69/56/46/691695646.db2.gz PJGJOMXUGAEZPI-CQSZACIVSA-N 0 3 369.849 2.144 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041664464 540029691 /nfs/dbraw/zinc/02/96/91/540029691.db2.gz VZWNXKVUVGHMPP-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045262843 540208083 /nfs/dbraw/zinc/20/80/83/540208083.db2.gz BIEOTVURFDSOGS-CQSZACIVSA-N 0 3 365.393 2.475 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)cc1OC ZINC000046879095 540274773 /nfs/dbraw/zinc/27/47/73/540274773.db2.gz NITNVJQTMLCXCW-CYBMUJFWSA-N 0 3 365.430 2.464 20 5 FEBDHN CN1CCN(Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000047284806 540301750 /nfs/dbraw/zinc/30/17/50/540301750.db2.gz QAOVGSGKJDNQEA-UHFFFAOYSA-N 0 3 368.437 2.272 20 5 FEBDHN CC(=O)NCC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000052849031 540493446 /nfs/dbraw/zinc/49/34/46/540493446.db2.gz HOECSRWNERPVCD-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052954617 540501967 /nfs/dbraw/zinc/50/19/67/540501967.db2.gz CJRTUHNKCSVJLG-OAHLLOKOSA-N 0 3 357.414 2.209 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000053992899 540564038 /nfs/dbraw/zinc/56/40/38/540564038.db2.gz LYFJAISMUFTZFX-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1C ZINC000060506309 541115725 /nfs/dbraw/zinc/11/57/25/541115725.db2.gz SLMAAJBGYHKEPQ-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000065869116 541267793 /nfs/dbraw/zinc/26/77/93/541267793.db2.gz YVJMXURCCNDGLZ-UHFFFAOYSA-N 0 3 371.441 2.189 20 5 FEBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000074142376 542043461 /nfs/dbraw/zinc/04/34/61/542043461.db2.gz LUINFYHCJNGGDL-UHFFFAOYSA-N 0 3 359.382 2.075 20 5 FEBDHN Cc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)ncc1[N+](=O)[O-] ZINC000074746917 542116862 /nfs/dbraw/zinc/11/68/62/542116862.db2.gz XHDWINJIHSYLMU-UHFFFAOYSA-N 0 3 357.414 2.202 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000079945556 542552457 /nfs/dbraw/zinc/55/24/57/542552457.db2.gz RMWMYZUPILEEHP-IUODEOHRSA-N 0 3 357.414 2.409 20 5 FEBDHN Cn1ccnc1CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106164441 543211400 /nfs/dbraw/zinc/21/14/00/543211400.db2.gz CUBUNVJTNPTRPT-QGZVFWFLSA-N 0 3 374.441 2.023 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891886 543252916 /nfs/dbraw/zinc/25/29/16/543252916.db2.gz JWPPTIWNBCWCDK-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000106891803 543253154 /nfs/dbraw/zinc/25/31/54/543253154.db2.gz MYOPLNKXGPPNMX-CQSZACIVSA-N 0 3 353.444 2.031 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112921747 543468549 /nfs/dbraw/zinc/46/85/49/543468549.db2.gz JMUUFPJQUVUFAQ-CQSZACIVSA-N 0 3 373.457 2.080 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000113197967 543476980 /nfs/dbraw/zinc/47/69/80/543476980.db2.gz GJYOKXCZGZASRK-OAHLLOKOSA-N 0 3 372.429 2.170 20 5 FEBDHN CC(C)(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000114645076 543528117 /nfs/dbraw/zinc/52/81/17/543528117.db2.gz DOQBOFVTQRMEKD-INIZCTEOSA-N 0 3 371.441 2.307 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115586097 543576358 /nfs/dbraw/zinc/57/63/58/543576358.db2.gz JDLPTGCGRDSUIW-NSHDSACASA-N 0 3 361.851 2.211 20 5 FEBDHN O=C(CN1CC[C@H]2[C@H](CCCN2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134872237 544324536 /nfs/dbraw/zinc/32/45/36/544324536.db2.gz WBLLTRQOKAHFFW-PBHICJAKSA-N 0 3 358.442 2.482 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134934443 544328572 /nfs/dbraw/zinc/32/85/72/544328572.db2.gz OGISUJRCIUNJCZ-PBHICJAKSA-N 0 3 371.441 2.269 20 5 FEBDHN Cc1c(NC(=O)[C@H](C)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000151161507 544511268 /nfs/dbraw/zinc/51/12/68/544511268.db2.gz WJUSPGUFMKPEKI-HNNXBMFYSA-N 0 3 369.425 2.447 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151637243 544565746 /nfs/dbraw/zinc/56/57/46/544565746.db2.gz IKKPPAXTJWHRLC-LBPRGKRZSA-N 0 3 373.862 2.355 20 5 FEBDHN COc1ccc(NC(=O)CCN[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182902742 327793038 /nfs/dbraw/zinc/79/30/38/327793038.db2.gz NZZKXGMVRKMHGL-INIZCTEOSA-N 0 3 359.382 2.255 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188125176 328067896 /nfs/dbraw/zinc/06/78/96/328067896.db2.gz KRBDIRNZHQMUAL-LBPRGKRZSA-N 0 3 353.444 2.157 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189127938 328130061 /nfs/dbraw/zinc/13/00/61/328130061.db2.gz SLMDBBCNLAXPHD-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190064150 328185508 /nfs/dbraw/zinc/18/55/08/328185508.db2.gz JXPPBENIHCHVRZ-CYBMUJFWSA-N 0 3 357.476 2.466 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2F)n1 ZINC000191614520 328274040 /nfs/dbraw/zinc/27/40/40/328274040.db2.gz HLSTZOPYKZBJSR-UHFFFAOYSA-N 0 3 363.393 2.154 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191987166 328291961 /nfs/dbraw/zinc/29/19/61/328291961.db2.gz JAWPYTGLTIEWOB-KBPBESRZSA-N 0 3 355.460 2.172 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191998901 328292819 /nfs/dbraw/zinc/29/28/19/328292819.db2.gz BZHUHCZNFCDENR-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc([N+](=O)[O-])c1F ZINC000193429910 328374930 /nfs/dbraw/zinc/37/49/30/328374930.db2.gz KVMSIVABIUBXMZ-UHFFFAOYSA-N 0 3 365.386 2.124 20 5 FEBDHN O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)N1 ZINC000193466665 328376953 /nfs/dbraw/zinc/37/69/53/328376953.db2.gz VVVIAVAQFQKYNI-SFHVURJKSA-N 0 3 370.365 2.029 20 5 FEBDHN CC(C)CN1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000049969049 324688147 /nfs/dbraw/zinc/68/81/47/324688147.db2.gz AWMXDROMSWFTMW-UHFFFAOYSA-N 0 3 354.838 2.460 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000083028694 325211460 /nfs/dbraw/zinc/21/14/60/325211460.db2.gz TYMGRJAVNBZEHR-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455778 325255414 /nfs/dbraw/zinc/25/54/14/325255414.db2.gz STZOZFPVEHXFLY-STQMWFEESA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237779446 328528519 /nfs/dbraw/zinc/52/85/19/328528519.db2.gz QXFUHCMJPGZHOG-ZACCUICWSA-N 0 3 359.835 2.118 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000090551426 325362621 /nfs/dbraw/zinc/36/26/21/325362621.db2.gz OOMWUAUBGVRDDT-SFHVURJKSA-N 0 3 370.453 2.353 20 5 FEBDHN C[C@H](Nc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097024512 325457051 /nfs/dbraw/zinc/45/70/51/325457051.db2.gz MEMYJZFJNYEURE-ZDUSSCGKSA-N 0 3 357.414 2.454 20 5 FEBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107707463 325633648 /nfs/dbraw/zinc/63/36/48/325633648.db2.gz UAVWMZXLWSVRBK-ZDUSSCGKSA-N 0 3 371.434 2.373 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107872784 325636522 /nfs/dbraw/zinc/63/65/22/325636522.db2.gz GKLGSHNXFGDCAM-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCCN(C)C)cc2)c1 ZINC000115872689 325983628 /nfs/dbraw/zinc/98/36/28/325983628.db2.gz STBXNDKZWZWGRD-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000116922471 326042197 /nfs/dbraw/zinc/04/21/97/326042197.db2.gz SABMNPZBXAVUFS-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290990 326247055 /nfs/dbraw/zinc/24/70/55/326247055.db2.gz VANQSHXDTUPKOJ-ZDUSSCGKSA-N 0 3 373.450 2.380 20 5 FEBDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290990 326247056 /nfs/dbraw/zinc/24/70/56/326247056.db2.gz VANQSHXDTUPKOJ-ZDUSSCGKSA-N 0 3 373.450 2.380 20 5 FEBDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322484 326249721 /nfs/dbraw/zinc/24/97/21/326249721.db2.gz KWAXBUBKWKTARC-AWEZNQCLSA-N 0 3 355.460 2.241 20 5 FEBDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322484 326249722 /nfs/dbraw/zinc/24/97/22/326249722.db2.gz KWAXBUBKWKTARC-AWEZNQCLSA-N 0 3 355.460 2.241 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120955081 326301846 /nfs/dbraw/zinc/30/18/46/326301846.db2.gz OCIJFRWXAPFRQR-DOTOQJQBSA-N 0 3 367.471 2.026 20 5 FEBDHN CCOC(=O)c1cc(NC2CCN(CCOC)CC2)ccc1[N+](=O)[O-] ZINC000122775913 326408731 /nfs/dbraw/zinc/40/87/31/326408731.db2.gz ZDARTMAHSNYJNI-UHFFFAOYSA-N 0 3 351.403 2.294 20 5 FEBDHN COc1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000124485893 326454769 /nfs/dbraw/zinc/45/47/69/326454769.db2.gz FXGSNOKWNKEZKQ-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000151267993 326678468 /nfs/dbraw/zinc/67/84/68/326678468.db2.gz QREPHCJQZPAMTG-UHFFFAOYSA-N 0 3 373.862 2.294 20 5 FEBDHN O=[N+]([O-])c1cc(CNC2CCN(S(=O)(=O)C3CC3)CC2)ccc1Cl ZINC000151271862 326678490 /nfs/dbraw/zinc/67/84/90/326678490.db2.gz STXFGAMIHNZWCU-UHFFFAOYSA-N 0 3 373.862 2.294 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000153398943 326732071 /nfs/dbraw/zinc/73/20/71/326732071.db2.gz MHQRMQZILLCZSO-UHFFFAOYSA-N 0 3 373.409 2.270 20 5 FEBDHN COc1cc(C(=O)NCc2ccccc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000161590840 327003627 /nfs/dbraw/zinc/00/36/27/327003627.db2.gz CYRCTBUDQCUZGG-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1ccccc1CN1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000162504831 327027460 /nfs/dbraw/zinc/02/74/60/327027460.db2.gz XHYUCHASZAYHAQ-UHFFFAOYSA-N 0 3 357.414 2.031 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000162723980 327033020 /nfs/dbraw/zinc/03/30/20/327033020.db2.gz JOESIMHDLACJPM-ZFWWWQNUSA-N 0 3 357.414 2.443 20 5 FEBDHN CCc1n[n-]c(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171807092 327162653 /nfs/dbraw/zinc/16/26/53/327162653.db2.gz VNYRRHOQAXEQMQ-CYBMUJFWSA-N 0 3 361.402 2.349 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000172140789 327183565 /nfs/dbraw/zinc/18/35/65/327183565.db2.gz HHNTVWJBZDEGML-ZDUSSCGKSA-N 0 3 350.419 2.087 20 5 FEBDHN O=C(CN1CCCN(C2CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172346969 327197148 /nfs/dbraw/zinc/19/71/48/327197148.db2.gz USCHCRWFKPVLLL-UHFFFAOYSA-N 0 3 352.822 2.357 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173022040 327230980 /nfs/dbraw/zinc/23/09/80/327230980.db2.gz IQXOIIARALEKDI-SNVBAGLBSA-N 0 3 359.835 2.011 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000173022040 327230981 /nfs/dbraw/zinc/23/09/81/327230981.db2.gz IQXOIIARALEKDI-SNVBAGLBSA-N 0 3 359.835 2.011 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000173203120 327240758 /nfs/dbraw/zinc/24/07/58/327240758.db2.gz XHYKZBKIEZJUFS-ZFWWWQNUSA-N 0 3 371.397 2.173 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000173261927 327244831 /nfs/dbraw/zinc/24/48/31/327244831.db2.gz DPTKRTHNMONDTQ-UKRRQHHQSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cccc(NC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173523999 327263800 /nfs/dbraw/zinc/26/38/00/327263800.db2.gz HQAAPDSYRFURQY-SFHVURJKSA-N 0 3 359.430 2.037 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173832205 327287479 /nfs/dbraw/zinc/28/74/79/327287479.db2.gz UVJGBTBJCCHEMD-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000173864624 327289607 /nfs/dbraw/zinc/28/96/07/327289607.db2.gz FKEDALKAYKEVCV-CQSZACIVSA-N 0 3 353.444 2.138 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173991883 327300158 /nfs/dbraw/zinc/30/01/58/327300158.db2.gz SVFCLYFAMAKCIS-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN CN1CCN([C@H]2CCCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174369492 327322675 /nfs/dbraw/zinc/32/26/75/327322675.db2.gz VYEREVCZMYJQAH-KRWDZBQOSA-N 0 3 361.446 2.229 20 5 FEBDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721252 327345831 /nfs/dbraw/zinc/34/58/31/327345831.db2.gz GGBBCPHKSVJJOY-CYBMUJFWSA-N 0 3 374.319 2.183 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000174792671 327351510 /nfs/dbraw/zinc/35/15/10/327351510.db2.gz DUJFHYBKSMJUKS-SFHVURJKSA-N 0 3 365.430 2.463 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000175083315 327372705 /nfs/dbraw/zinc/37/27/05/327372705.db2.gz YAGIOJZLTGTQAT-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000175089621 327373443 /nfs/dbraw/zinc/37/34/43/327373443.db2.gz YZROREHJYZATOV-ZIAGYGMSSA-N 0 3 355.460 2.363 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000175116986 327375203 /nfs/dbraw/zinc/37/52/03/327375203.db2.gz IQEWBYGCODFDQZ-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000175217107 327380527 /nfs/dbraw/zinc/38/05/27/327380527.db2.gz RYJYUJZRMZMUNM-INIZCTEOSA-N 0 3 373.457 2.361 20 5 FEBDHN Cc1ccc(CNC(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000175317950 327386618 /nfs/dbraw/zinc/38/66/18/327386618.db2.gz OIUZTXXYZRLTQC-UHFFFAOYSA-N 0 3 371.441 2.128 20 5 FEBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178519210 327590170 /nfs/dbraw/zinc/59/01/70/327590170.db2.gz ZUNPNNNVPCEPHB-AWEZNQCLSA-N 0 3 363.439 2.386 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1c1nccn1C ZINC000261663081 328809776 /nfs/dbraw/zinc/80/97/76/328809776.db2.gz BCLDUJAFCMASFI-INIZCTEOSA-N 0 3 359.430 2.262 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000263809756 328964478 /nfs/dbraw/zinc/96/44/78/328964478.db2.gz MXGXPTSMVDJAPY-INIZCTEOSA-N 0 3 369.425 2.481 20 5 FEBDHN CS(=O)(=O)c1ccc(N2CC[C@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000266276380 329207334 /nfs/dbraw/zinc/20/73/34/329207334.db2.gz SEXBRFCHXFFCNM-CQSZACIVSA-N 0 3 367.471 2.311 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160132 329391952 /nfs/dbraw/zinc/39/19/52/329391952.db2.gz VKCRFPAIPCAGRV-WCQYABFASA-N 0 3 351.403 2.071 20 5 FEBDHN Cn1cc(CNC[C@@](C)(O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270585380 329612762 /nfs/dbraw/zinc/61/27/62/329612762.db2.gz XIKQKQPQCYBEFC-CQSZACIVSA-N 0 3 358.320 2.398 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1N(C)C ZINC000270850980 329637883 /nfs/dbraw/zinc/63/78/83/329637883.db2.gz PTBXMHRIOBBGMV-HUUCEWRRSA-N 0 3 360.439 2.261 20 5 FEBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC000273490029 329868967 /nfs/dbraw/zinc/86/89/67/329868967.db2.gz WOCQNTZHLNXKJC-OAGGEKHMSA-N 0 3 368.455 2.162 20 5 FEBDHN COc1cc(C(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000276101953 330119330 /nfs/dbraw/zinc/11/93/30/330119330.db2.gz ZANJGFCYXUSOMI-UHFFFAOYSA-N 0 3 373.356 2.419 20 5 FEBDHN COCCN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000160816137 546075207 /nfs/dbraw/zinc/07/52/07/546075207.db2.gz CUKQTJNQDCUUHL-UHFFFAOYSA-N 0 3 359.224 2.275 20 5 FEBDHN Cc1nn(C)c(C(=O)N(CCCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000161397766 546127526 /nfs/dbraw/zinc/12/75/26/546127526.db2.gz CCGOJPXSGFZYPQ-UHFFFAOYSA-N 0 3 373.457 2.273 20 5 FEBDHN CN(C)CCNC(=O)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020171 546234203 /nfs/dbraw/zinc/23/42/03/546234203.db2.gz ZCOLDGOGCAUPMJ-UHFFFAOYSA-N 0 3 368.865 2.138 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176490954 546453487 /nfs/dbraw/zinc/45/34/87/546453487.db2.gz JUVHTEDSAIUOJR-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177095921 546544152 /nfs/dbraw/zinc/54/41/52/546544152.db2.gz KUSLEMWKRRGWPP-CHWSQXEVSA-N 0 3 355.398 2.136 20 5 FEBDHN CCOc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161207 546558234 /nfs/dbraw/zinc/55/82/34/546558234.db2.gz WEECYGFNDQZOPH-RYUDHWBXSA-N 0 3 363.414 2.357 20 5 FEBDHN COc1ccc(OCCN2CCC([C@@H](C)NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000481126136 561225771 /nfs/dbraw/zinc/22/57/71/561225771.db2.gz QAFVQZKKOGPLJI-CYBMUJFWSA-N 0 3 365.430 2.219 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862732 547022554 /nfs/dbraw/zinc/02/25/54/547022554.db2.gz LDXHJCCHBOIFLR-RYUDHWBXSA-N 0 3 351.403 2.335 20 5 FEBDHN CS(=O)(=O)Nc1ccc(OCCNCc2ccccc2[N+](=O)[O-])cc1 ZINC000180353997 547090449 /nfs/dbraw/zinc/09/04/49/547090449.db2.gz WEIXWHPJGQHYRP-UHFFFAOYSA-N 0 3 365.411 2.135 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000483407315 561276290 /nfs/dbraw/zinc/27/62/90/561276290.db2.gz MXVHAGDZXWNZLV-CABCVRRESA-N 0 3 353.419 2.386 20 5 FEBDHN CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000181959765 547413964 /nfs/dbraw/zinc/41/39/64/547413964.db2.gz IVXCNSZTVXPZSQ-INIZCTEOSA-N 0 3 363.458 2.285 20 5 FEBDHN CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155246 547445487 /nfs/dbraw/zinc/44/54/87/547445487.db2.gz QPAGBKPFGVXSCH-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN Cc1cnc(CCN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000182253645 547461594 /nfs/dbraw/zinc/46/15/94/547461594.db2.gz BDYKWBSSMSXUEH-ZDUSSCGKSA-N 0 3 351.428 2.274 20 5 FEBDHN CCN(CC)C(=O)CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182567636 547515429 /nfs/dbraw/zinc/51/54/29/547515429.db2.gz SLOPDUKQMDZFPK-UHFFFAOYSA-N 0 3 351.451 2.152 20 5 FEBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000183430785 547658293 /nfs/dbraw/zinc/65/82/93/547658293.db2.gz ULINSMIWMZIYAP-CYBMUJFWSA-N 0 3 372.219 2.310 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(Cc2ccccc2)CC1 ZINC000183643799 547694047 /nfs/dbraw/zinc/69/40/47/547694047.db2.gz GDRKCFWMWAPMBV-UHFFFAOYSA-N 0 3 369.425 2.309 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)NCCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000184478966 547833796 /nfs/dbraw/zinc/83/37/96/547833796.db2.gz BUDMEXXIBZHHDK-UHFFFAOYSA-N 0 3 359.423 2.195 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186338207 548122185 /nfs/dbraw/zinc/12/21/85/548122185.db2.gz WVAMTMURVMGVCE-VAFHRPCXSA-N 0 3 374.485 2.388 20 5 FEBDHN COc1cc(S(=O)(=O)N[C@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000186780332 548190922 /nfs/dbraw/zinc/19/09/22/548190922.db2.gz LMUNNWGEVZQWTG-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN COc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000193925154 548407601 /nfs/dbraw/zinc/40/76/01/548407601.db2.gz ARHYSLPFHAUTLG-CYBMUJFWSA-N 0 3 371.459 2.004 20 5 FEBDHN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000487088226 561363436 /nfs/dbraw/zinc/36/34/36/561363436.db2.gz QNEQEBYNFFRYBY-GXTWGEPZSA-N 0 3 353.854 2.105 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000246063134 549044789 /nfs/dbraw/zinc/04/47/89/549044789.db2.gz ZDBBKRQHAWMABM-KBPBESRZSA-N 0 3 363.414 2.023 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000246628828 549177832 /nfs/dbraw/zinc/17/78/32/549177832.db2.gz IVRPVKYPVYBFHN-UONOGXRCSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1nn(CCC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000248133247 549409367 /nfs/dbraw/zinc/40/93/67/549409367.db2.gz WYIMCYLKOWKCMV-APWZRJJASA-N 0 3 371.441 2.360 20 5 FEBDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@H]1C ZINC000489395455 561409835 /nfs/dbraw/zinc/40/98/35/561409835.db2.gz CTWVZFUNRSBULI-YOEHRIQHSA-N 0 3 365.430 2.358 20 5 FEBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489508986 561413079 /nfs/dbraw/zinc/41/30/79/561413079.db2.gz KMNQJXNAQOGCBV-UKRRQHHQSA-N 0 3 354.403 2.108 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@H](OC)C1 ZINC000252012483 549661742 /nfs/dbraw/zinc/66/17/42/549661742.db2.gz XUEJIGSJNFNCPA-BLLLJJGKSA-N 0 3 351.403 2.289 20 5 FEBDHN COc1ccc(OCCN2CCNC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261602952 549733357 /nfs/dbraw/zinc/73/33/57/549733357.db2.gz ASBAVCWYVWOMNY-QGZVFWFLSA-N 0 3 358.398 2.024 20 5 FEBDHN COc1cc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781065 561452581 /nfs/dbraw/zinc/45/25/81/561452581.db2.gz ACFOLVFGCAZDTC-NVXWUHKLSA-N 0 3 362.474 2.061 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000493150201 561454780 /nfs/dbraw/zinc/45/47/80/561454780.db2.gz HIKDZWXFKQXPIQ-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCOc1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000493573496 561457062 /nfs/dbraw/zinc/45/70/62/561457062.db2.gz PIMZLZIDCPWWHI-CQSZACIVSA-N 0 3 351.447 2.271 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270407398 550269861 /nfs/dbraw/zinc/26/98/61/550269861.db2.gz AKBODNKMVGAJGA-KBPBESRZSA-N 0 3 355.485 2.434 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000270755857 550303928 /nfs/dbraw/zinc/30/39/28/550303928.db2.gz DIBXDVHKUMUADD-LBPRGKRZSA-N 0 3 363.443 2.032 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000270973287 550327531 /nfs/dbraw/zinc/32/75/31/550327531.db2.gz UFJWCUZTDJEDLX-ZFWWWQNUSA-N 0 3 357.414 2.111 20 5 FEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CN(C)CCN1C ZINC000271192403 550350703 /nfs/dbraw/zinc/35/07/03/550350703.db2.gz XUBOVBXONFXVKD-GJZGRUSLSA-N 0 3 352.504 2.301 20 5 FEBDHN CN1CC=C(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000271799375 550403084 /nfs/dbraw/zinc/40/30/84/550403084.db2.gz DFUCNZBXIJDMCE-UHFFFAOYSA-N 0 3 354.204 2.349 20 5 FEBDHN CCC(CC)(CC(=O)OC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273235554 550490885 /nfs/dbraw/zinc/49/08/85/550490885.db2.gz WRSKWXMPKFUBKM-UHFFFAOYSA-N 0 3 372.443 2.080 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC2(CCOCC2)C1 ZINC000273339375 550495068 /nfs/dbraw/zinc/49/50/68/550495068.db2.gz NLWZWPDTPMKBKC-OAHLLOKOSA-N 0 3 350.415 2.227 20 5 FEBDHN COC(=O)c1cnc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000276863032 550604543 /nfs/dbraw/zinc/60/45/43/550604543.db2.gz ZGJRZSKTCWXVQK-UHFFFAOYSA-N 0 3 366.418 2.078 20 5 FEBDHN CC(C)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000277000587 550620274 /nfs/dbraw/zinc/62/02/74/550620274.db2.gz GLTNGPVQGQNPBR-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)C ZINC000277181524 550640682 /nfs/dbraw/zinc/64/06/82/550640682.db2.gz VMZRRJQSEATYLP-SNVBAGLBSA-N 0 3 351.794 2.156 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277211075 550644060 /nfs/dbraw/zinc/64/40/60/550644060.db2.gz KPILKOXCSOTTRI-LBPRGKRZSA-N 0 3 354.382 2.356 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H](N2CCCCC2)C1 ZINC000278718843 550814968 /nfs/dbraw/zinc/81/49/68/550814968.db2.gz PITHUWPWRQCIFT-AWEZNQCLSA-N 0 3 372.429 2.241 20 5 FEBDHN CN(CC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390050 561500062 /nfs/dbraw/zinc/50/00/62/561500062.db2.gz YNRPBGKBNVZBDU-IRXDYDNUSA-N 0 3 368.437 2.245 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000498328332 561522299 /nfs/dbraw/zinc/52/22/99/561522299.db2.gz AHJLCFZWPLUFJC-UHFFFAOYSA-N 0 3 360.414 2.259 20 5 FEBDHN C[C@@H](NCc1ccnc(OCCN(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284937723 551671615 /nfs/dbraw/zinc/67/16/15/551671615.db2.gz DRSWBQBMAGNQBR-CYBMUJFWSA-N 0 3 359.430 2.363 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922235 561537916 /nfs/dbraw/zinc/53/79/16/561537916.db2.gz BFMNSIFFGZZSSZ-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000286321463 551873950 /nfs/dbraw/zinc/87/39/50/551873950.db2.gz JHECJSZAQGJOHJ-KBPBESRZSA-N 0 3 351.378 2.059 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000289280044 552294536 /nfs/dbraw/zinc/29/45/36/552294536.db2.gz ZCIFVQHIIWDHMD-ZFWWWQNUSA-N 0 3 374.441 2.235 20 5 FEBDHN C[C@@]1(C[C@@H]2CCCN2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623594 552351728 /nfs/dbraw/zinc/35/17/28/552351728.db2.gz LQFFZDTYDIVCEI-GLERGHRYSA-N 0 3 358.398 2.061 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](n2cc(C)cn2)C1 ZINC000289746669 552372055 /nfs/dbraw/zinc/37/20/55/552372055.db2.gz FDEKVRCJBXMHGW-OAHLLOKOSA-N 0 3 373.413 2.384 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000289937836 552402631 /nfs/dbraw/zinc/40/26/31/552402631.db2.gz WUQVMWRDVMJBPU-AWEZNQCLSA-N 0 3 363.462 2.162 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000500695212 561579700 /nfs/dbraw/zinc/57/97/00/561579700.db2.gz NCTXUUZQLVXOLR-UHFFFAOYSA-N 0 3 351.451 2.069 20 5 FEBDHN CCN(Cc1ccc(CN(C)C)cc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290675141 552517693 /nfs/dbraw/zinc/51/76/93/552517693.db2.gz RTYAQJMQMQYFEQ-UHFFFAOYSA-N 0 3 357.414 2.177 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291777475 552660625 /nfs/dbraw/zinc/66/06/25/552660625.db2.gz MBIXJPBINLQQSI-LBPRGKRZSA-N 0 3 357.357 2.181 20 5 FEBDHN COc1ccc(OCCN[C@H](C(N)=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000292044439 552687839 /nfs/dbraw/zinc/68/78/39/552687839.db2.gz ASTWXNXIUHEQTC-ACJLOTCBSA-N 0 3 373.409 2.229 20 5 FEBDHN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653512 552844352 /nfs/dbraw/zinc/84/43/52/552844352.db2.gz ISAXOMJFKFLRPR-CYBMUJFWSA-N 0 3 372.425 2.495 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000293805516 552858041 /nfs/dbraw/zinc/85/80/41/552858041.db2.gz NUHDKPWTECLVOX-UHFFFAOYSA-N 0 3 371.459 2.148 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000293961442 552871263 /nfs/dbraw/zinc/87/12/63/552871263.db2.gz SZDOHPGAWZNUON-DLBZAZTESA-N 0 3 358.398 2.011 20 5 FEBDHN C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1=CCN(C)CC1 ZINC000295630539 553036586 /nfs/dbraw/zinc/03/65/86/553036586.db2.gz BGGNILOORNJLHM-GFCCVEGCSA-N 0 3 355.398 2.365 20 5 FEBDHN CC(C)(CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO)[N+](=O)[O-] ZINC000295668096 553041883 /nfs/dbraw/zinc/04/18/83/553041883.db2.gz JMXQXWCSFPNFRF-QGZVFWFLSA-N 0 3 363.458 2.095 20 5 FEBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000295890577 553072199 /nfs/dbraw/zinc/07/21/99/553072199.db2.gz CPRMODIRLPCPBV-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN CC[C@H](C)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295898931 553073307 /nfs/dbraw/zinc/07/33/07/553073307.db2.gz CYUUVVDWYUIEHY-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277692 553133652 /nfs/dbraw/zinc/13/36/52/553133652.db2.gz OREPDJXOGMJOFJ-ZTFGCOKTSA-N 0 3 357.410 2.031 20 5 FEBDHN Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000296955660 553234562 /nfs/dbraw/zinc/23/45/62/553234562.db2.gz CIMHFBPDRVHQGT-SECBINFHSA-N 0 3 359.415 2.218 20 5 FEBDHN Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000296955660 553234564 /nfs/dbraw/zinc/23/45/64/553234564.db2.gz CIMHFBPDRVHQGT-SECBINFHSA-N 0 3 359.415 2.218 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000298164800 553392591 /nfs/dbraw/zinc/39/25/91/553392591.db2.gz PZKPORBDCNYOSE-AWEZNQCLSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccsc1 ZINC000298772377 553471037 /nfs/dbraw/zinc/47/10/37/553471037.db2.gz FTXIYFHHVRLAQP-AWEZNQCLSA-N 0 3 370.456 2.019 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000299136117 553520058 /nfs/dbraw/zinc/52/00/58/553520058.db2.gz QMOSSICTTWKJOK-QGZVFWFLSA-N 0 3 359.430 2.381 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194566 553528371 /nfs/dbraw/zinc/52/83/71/553528371.db2.gz DJQSJPCQLQLUGT-ZDUSSCGKSA-N 0 3 374.441 2.175 20 5 FEBDHN CCN(CC)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000299514289 553573939 /nfs/dbraw/zinc/57/39/39/553573939.db2.gz NIQYRVJCTGNSRP-UHFFFAOYSA-N 0 3 358.398 2.237 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1CN1CCCC1 ZINC000299571057 553583000 /nfs/dbraw/zinc/58/30/00/553583000.db2.gz UBIXAUJTRIKDSF-SFHVURJKSA-N 0 3 369.425 2.481 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301860253 553686243 /nfs/dbraw/zinc/68/62/43/553686243.db2.gz DIYOEPDQOYFEOA-GFCCVEGCSA-N 0 3 371.235 2.418 20 5 FEBDHN CC(C)CN1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301866994 553686700 /nfs/dbraw/zinc/68/67/00/553686700.db2.gz GFVGXAYNIKNCMT-CYBMUJFWSA-N 0 3 355.460 2.388 20 5 FEBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000302179789 553709206 /nfs/dbraw/zinc/70/92/06/553709206.db2.gz YYEUCEKJTZERDB-KRWDZBQOSA-N 0 3 356.430 2.176 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(OC)c1 ZINC000505999889 561687215 /nfs/dbraw/zinc/68/72/15/561687215.db2.gz PXOAYADXQQUQSV-HNNXBMFYSA-N 0 3 361.402 2.139 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331736620 554318935 /nfs/dbraw/zinc/31/89/35/554318935.db2.gz UEVYCOICDGLMPM-KXBFYZLASA-N 0 3 361.442 2.414 20 5 FEBDHN COc1cccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332199663 554400065 /nfs/dbraw/zinc/40/00/65/554400065.db2.gz QEDZPIRISCFAME-DZGCQCFKSA-N 0 3 365.455 2.255 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000360468783 554876159 /nfs/dbraw/zinc/87/61/59/554876159.db2.gz XHKFZPXRHXSIDO-CYBMUJFWSA-N 0 3 354.401 2.337 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787822 554988484 /nfs/dbraw/zinc/98/84/84/554988484.db2.gz LCBLCUDWFQLBKC-IAGOWNOFSA-N 0 3 374.441 2.132 20 5 FEBDHN COCCCN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363231460 555059834 /nfs/dbraw/zinc/05/98/34/555059834.db2.gz VNHZLXLOUNAQHE-UHFFFAOYSA-N 0 3 350.419 2.479 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000364204463 555269137 /nfs/dbraw/zinc/26/91/37/555269137.db2.gz KWHZOOVOXRBGMQ-DLBZAZTESA-N 0 3 359.357 2.066 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229615 555274372 /nfs/dbraw/zinc/27/43/72/555274372.db2.gz NSYODBQLBYBQIH-GASCZTMLSA-N 0 3 365.478 2.040 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364504185 555325620 /nfs/dbraw/zinc/32/56/20/555325620.db2.gz GEVUDYVTIMLNAR-CQSZACIVSA-N 0 3 353.444 2.070 20 5 FEBDHN C[C@H](CO)N1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892681 555428160 /nfs/dbraw/zinc/42/81/60/555428160.db2.gz GIBMUGXOHHVWKO-OAHLLOKOSA-N 0 3 374.441 2.181 20 5 FEBDHN CCN1CCC(N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C2CC2)CC1 ZINC000365017098 555465374 /nfs/dbraw/zinc/46/53/74/555465374.db2.gz WQFBPOUKORCVCM-UHFFFAOYSA-N 0 3 361.398 2.412 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000365497945 555591538 /nfs/dbraw/zinc/59/15/38/555591538.db2.gz YRAYTJXQZLFSFU-OAHLLOKOSA-N 0 3 370.409 2.476 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000513419574 561937574 /nfs/dbraw/zinc/93/75/74/561937574.db2.gz IPCKIWKSKLZIIU-DZGCQCFKSA-N 0 3 357.414 2.443 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000366700619 555912554 /nfs/dbraw/zinc/91/25/54/555912554.db2.gz XMSXTBLFXZTCDH-HUUCEWRRSA-N 0 3 357.414 2.104 20 5 FEBDHN CC(=O)c1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437468 556048453 /nfs/dbraw/zinc/04/84/53/556048453.db2.gz WMZJWYIWJSJYHU-RDTXWAMCSA-N 0 3 360.458 2.260 20 5 FEBDHN CC[C@H](C)Oc1cc(C)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856334 561983649 /nfs/dbraw/zinc/98/36/49/561983649.db2.gz XVPFQXOXUQBASB-WMLDXEAASA-N 0 3 362.430 2.428 20 5 FEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](N2CCCCC2)C1 ZINC000368037855 556200898 /nfs/dbraw/zinc/20/08/98/556200898.db2.gz UJOPXDOHCFYIHA-AWEZNQCLSA-N 0 3 361.398 2.414 20 5 FEBDHN CC(C)[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000368407333 556299367 /nfs/dbraw/zinc/29/93/67/556299367.db2.gz NGWSRLLVDRWETO-DOTOQJQBSA-N 0 3 363.462 2.465 20 5 FEBDHN Cc1c(NC(=O)CCN2CCCC[C@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369379603 556585345 /nfs/dbraw/zinc/58/53/45/556585345.db2.gz NBSATQQFVJLSLV-HNNXBMFYSA-N 0 3 372.429 2.378 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000369715531 556676387 /nfs/dbraw/zinc/67/63/87/556676387.db2.gz UPIYELNREJMCOG-UHFFFAOYSA-N 0 3 367.471 2.400 20 5 FEBDHN CC1CCC(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369781128 556692736 /nfs/dbraw/zinc/69/27/36/556692736.db2.gz AOHLVXGYCGWXCP-ARWYELJZSA-N 0 3 366.462 2.212 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCCCCC2)C1 ZINC000370122063 556786434 /nfs/dbraw/zinc/78/64/34/556786434.db2.gz XLGCHTWDQXCDTC-KRWDZBQOSA-N 0 3 374.441 2.400 20 5 FEBDHN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C1CCN(C)CC1 ZINC000370121531 556786483 /nfs/dbraw/zinc/78/64/83/556786483.db2.gz MSHMXYZOQFCOFC-AWEZNQCLSA-N 0 3 359.474 2.168 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827257 556981260 /nfs/dbraw/zinc/98/12/60/556981260.db2.gz RIEQAXZKDWYYBR-GXTWGEPZSA-N 0 3 373.331 2.207 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221581 557111105 /nfs/dbraw/zinc/11/11/05/557111105.db2.gz XUSSZZASIGHLFL-RHSMWYFYSA-N 0 3 360.458 2.001 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371356064 557158156 /nfs/dbraw/zinc/15/81/56/557158156.db2.gz VAZNUKOUYODDQD-KTJBFALPSA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000372353601 557448144 /nfs/dbraw/zinc/44/81/44/557448144.db2.gz ANWPTHJVBCYKOH-WBVHZDCISA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCCN(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000372639205 557527576 /nfs/dbraw/zinc/52/75/76/557527576.db2.gz MBSXVFPIULGUQT-UHFFFAOYSA-N 0 3 362.430 2.032 20 5 FEBDHN CCOc1cc(CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000373591615 557725178 /nfs/dbraw/zinc/72/51/78/557725178.db2.gz GHFDPVFHZSWLQM-KBXCAEBGSA-N 0 3 364.398 2.005 20 5 FEBDHN CC(C)NC(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672497 557735692 /nfs/dbraw/zinc/73/56/92/557735692.db2.gz IEPDOFADDIGQBG-CABCVRRESA-N 0 3 362.430 2.008 20 5 FEBDHN COc1cc(CN[C@@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])cc1OC ZINC000373955503 557795742 /nfs/dbraw/zinc/79/57/42/557795742.db2.gz JMGNXNMKFPAOGY-CQSZACIVSA-N 0 3 373.413 2.161 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(OCC3CC3)CC2)c1 ZINC000374120524 557827061 /nfs/dbraw/zinc/82/70/61/557827061.db2.gz PLLMYTIXRCHQLD-INIZCTEOSA-N 0 3 350.415 2.226 20 5 FEBDHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520901957 562165929 /nfs/dbraw/zinc/16/59/29/562165929.db2.gz QOKHIAXCAXTGDZ-JTQLQIEISA-N 0 3 356.810 2.032 20 5 FEBDHN COc1cccc([C@@H]2C[C@@H](C)CN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598584 557904792 /nfs/dbraw/zinc/90/47/92/557904792.db2.gz XUAAWFFYIUYUDQ-SKDZVZGDSA-N 0 3 360.414 2.244 20 5 FEBDHN C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883172 557945656 /nfs/dbraw/zinc/94/56/56/557945656.db2.gz RLPBFJVDSGYPBP-APWZRJJASA-N 0 3 373.457 2.013 20 5 FEBDHN O=C(CCN1CCCC[C@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000375594876 558054291 /nfs/dbraw/zinc/05/42/91/558054291.db2.gz BZCGABJNVYNAGK-HNNXBMFYSA-N 0 3 374.441 2.400 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907620 558097995 /nfs/dbraw/zinc/09/79/95/558097995.db2.gz YMOFLSOLHNUGEV-GOSISDBHSA-N 0 3 362.474 2.074 20 5 FEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521650662 562181442 /nfs/dbraw/zinc/18/14/42/562181442.db2.gz WEKUQMOHVLIXRY-LBPRGKRZSA-N 0 3 361.398 2.113 20 5 FEBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000376269412 558150092 /nfs/dbraw/zinc/15/00/92/558150092.db2.gz ZFGWFSDARJMVSJ-UHFFFAOYSA-N 0 3 369.425 2.460 20 5 FEBDHN O=C1CC[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)N1 ZINC000377727188 558406456 /nfs/dbraw/zinc/40/64/56/558406456.db2.gz RGPBLFNLFCHCIM-DUVNUKRYSA-N 0 3 353.806 2.164 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000522595854 562200207 /nfs/dbraw/zinc/20/02/07/562200207.db2.gz GEHUILBIOVEGAS-MRXNPFEDSA-N 0 3 359.430 2.254 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522733339 562202940 /nfs/dbraw/zinc/20/29/40/562202940.db2.gz XSWVKTXZNGLDQM-UHFFFAOYSA-N 0 3 369.849 2.360 20 5 FEBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(Cc2cccs2)CC1 ZINC000378570695 558586224 /nfs/dbraw/zinc/58/62/24/558586224.db2.gz OIQZLBDYTIFJOB-UHFFFAOYSA-N 0 3 361.427 2.259 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000408342949 558669083 /nfs/dbraw/zinc/66/90/83/558669083.db2.gz MFXMEHRSLMZZBV-HUUCEWRRSA-N 0 3 353.444 2.117 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000525103987 562240575 /nfs/dbraw/zinc/24/05/75/562240575.db2.gz VUJCBVWOPVXTBC-VXGBXAGGSA-N 0 3 351.403 2.215 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000411397751 558887872 /nfs/dbraw/zinc/88/78/72/558887872.db2.gz ZNAWPOQBTRTWFY-UHFFFAOYSA-N 0 3 364.446 2.196 20 5 FEBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412165232 559017904 /nfs/dbraw/zinc/01/79/04/559017904.db2.gz UKJNBJMMTAETTB-GFCCVEGCSA-N 0 3 353.394 2.228 20 5 FEBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(CN2CCCCC2)c1 ZINC000412203932 559019838 /nfs/dbraw/zinc/01/98/38/559019838.db2.gz KMTAMCJYGBJJSL-UHFFFAOYSA-N 0 3 357.414 2.207 20 5 FEBDHN CN1CCC(CNc2ccc(Cl)cc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413481626 559111073 /nfs/dbraw/zinc/11/10/73/559111073.db2.gz NVJUYRLRFBMWEG-UHFFFAOYSA-N 0 3 368.865 2.457 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1F ZINC000413671897 559123893 /nfs/dbraw/zinc/12/38/93/559123893.db2.gz QARDASLGZWADSQ-LBPRGKRZSA-N 0 3 367.421 2.474 20 5 FEBDHN CCOc1cc(NC(=O)N2CCCNCC2)c([N+](=O)[O-])cc1OCC ZINC000414761211 559185954 /nfs/dbraw/zinc/18/59/54/559185954.db2.gz SLIDENLMVNVEEE-UHFFFAOYSA-N 0 3 352.391 2.219 20 5 FEBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415098156 559205144 /nfs/dbraw/zinc/20/51/44/559205144.db2.gz UZPMKALIEWLENW-QGZVFWFLSA-N 0 3 356.426 2.441 20 5 FEBDHN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303294 559356721 /nfs/dbraw/zinc/35/67/21/559356721.db2.gz AFUBBLQRRNYRJO-WBVHZDCISA-N 0 3 367.471 2.376 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000417994485 559385671 /nfs/dbraw/zinc/38/56/71/559385671.db2.gz REQSWQRGFLUBBD-GFCCVEGCSA-N 0 3 362.764 2.087 20 5 FEBDHN N[C@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000418452723 559402158 /nfs/dbraw/zinc/40/21/58/559402158.db2.gz OGIABPGZCPXOLG-MRXNPFEDSA-N 0 3 369.425 2.126 20 5 FEBDHN O=C(N[C@@H]1CNCCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418747222 559413678 /nfs/dbraw/zinc/41/36/78/559413678.db2.gz AGISSDDAHRFSQH-CQSZACIVSA-N 0 3 354.357 2.266 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420398849 559485346 /nfs/dbraw/zinc/48/53/46/559485346.db2.gz ZFPHFVYVRAZHIE-OCBCSQNSSA-N 0 3 372.400 2.488 20 5 FEBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836441 559642015 /nfs/dbraw/zinc/64/20/15/559642015.db2.gz FUKIFTVZPJAOJX-CZUORRHYSA-N 0 3 355.822 2.397 20 5 FEBDHN COc1cccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000424022012 559651508 /nfs/dbraw/zinc/65/15/08/559651508.db2.gz CFJBNXNWUBYTGS-DZGCQCFKSA-N 0 3 359.357 2.309 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424023627 559651668 /nfs/dbraw/zinc/65/16/68/559651668.db2.gz BIJVFRWTLDXFPL-DZGCQCFKSA-N 0 3 359.357 2.309 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000424239140 559659046 /nfs/dbraw/zinc/65/90/46/559659046.db2.gz LQRANENGONPCBH-CQSZACIVSA-N 0 3 372.381 2.198 20 5 FEBDHN CO[C@H]1C[C@H]2C[C@@H](NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424277962 559660719 /nfs/dbraw/zinc/66/07/19/559660719.db2.gz HLQDLJJHAKOTMJ-UWOLEIRVSA-N 0 3 368.455 2.162 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000424422225 559663961 /nfs/dbraw/zinc/66/39/61/559663961.db2.gz DOBRVEGLCVOQHI-UHFFFAOYSA-N 0 3 358.402 2.427 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000426879811 559743568 /nfs/dbraw/zinc/74/35/68/559743568.db2.gz WHQJERYOGYDMLE-CYBMUJFWSA-N 0 3 365.411 2.210 20 5 FEBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000433954935 559891189 /nfs/dbraw/zinc/89/11/89/559891189.db2.gz XYBNREDVWOZOCF-OAHLLOKOSA-N 0 3 361.446 2.323 20 5 FEBDHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000440509744 560012942 /nfs/dbraw/zinc/01/29/42/560012942.db2.gz JJLYNWSNLNPJDR-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN CCO[C@H]1C[C@](CO)(NCCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799705 560121041 /nfs/dbraw/zinc/12/10/41/560121041.db2.gz IHLZCTLFQUCWAD-FUHWJXTLSA-N 0 3 368.430 2.138 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000448959269 560208956 /nfs/dbraw/zinc/20/89/56/560208956.db2.gz DTTZHYQRJDINIZ-OAHLLOKOSA-N 0 3 355.398 2.089 20 5 FEBDHN CC[C@H](C)N1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449629020 560235165 /nfs/dbraw/zinc/23/51/65/560235165.db2.gz JXAXSCAQNHURKI-AWEZNQCLSA-N 0 3 365.430 2.063 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449903689 560244921 /nfs/dbraw/zinc/24/49/21/560244921.db2.gz OHVWEPIEGCMPRQ-ZDUSSCGKSA-N 0 3 357.414 2.399 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CN1C1CC1 ZINC000450137429 560251808 /nfs/dbraw/zinc/25/18/08/560251808.db2.gz RYHQRFBMQIURQV-WCQYABFASA-N 0 3 355.398 2.340 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000450811619 560274239 /nfs/dbraw/zinc/27/42/39/560274239.db2.gz ODVUICZYUHSKAF-AWEZNQCLSA-N 0 3 369.425 2.047 20 5 FEBDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483390 560309660 /nfs/dbraw/zinc/30/96/60/560309660.db2.gz DTTFIUPVOQBIHY-YOEHRIQHSA-N 0 3 365.386 2.055 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598123 560316687 /nfs/dbraw/zinc/31/66/87/560316687.db2.gz NZBFHCYWRSPRFH-KBXCAEBGSA-N 0 3 367.446 2.421 20 5 FEBDHN O=C(CCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890520 560335045 /nfs/dbraw/zinc/33/50/45/560335045.db2.gz NIYZVFBKHMZVGZ-QMTHXVAHSA-N 0 3 361.320 2.169 20 5 FEBDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452088109 560350370 /nfs/dbraw/zinc/35/03/70/560350370.db2.gz RNQPDVWRKOLOJS-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN CCN1CCN(CCC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452845816 560376047 /nfs/dbraw/zinc/37/60/47/560376047.db2.gz JTCCJOKDNNJNAH-GOSISDBHSA-N 0 3 374.485 2.328 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454197749 560434146 /nfs/dbraw/zinc/43/41/46/560434146.db2.gz KWRKUIKWWFAKNN-LBPRGKRZSA-N 0 3 356.810 2.217 20 5 FEBDHN CC[C@H](NC(=O)NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517299 560629274 /nfs/dbraw/zinc/62/92/74/560629274.db2.gz SHKGYZUZNUCLIV-SJORKVTESA-N 0 3 364.446 2.192 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750868 560706313 /nfs/dbraw/zinc/70/63/13/560706313.db2.gz HSGUCAKBYGOPTQ-HOTGVXAUSA-N 0 3 363.414 2.479 20 5 FEBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCN(C)CC1 ZINC000464731714 560849232 /nfs/dbraw/zinc/84/92/32/560849232.db2.gz WNUULLKFNYFSCX-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN COC(=O)COc1ccc(CNCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000474005525 561063306 /nfs/dbraw/zinc/06/33/06/561063306.db2.gz AOXAAHTZYKRXKK-CQSZACIVSA-N 0 3 352.387 2.195 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000475294932 561094357 /nfs/dbraw/zinc/09/43/57/561094357.db2.gz HJXLOQCJWRRFRR-UHFFFAOYSA-N 0 3 359.382 2.182 20 5 FEBDHN C[C@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000533038976 562496445 /nfs/dbraw/zinc/49/64/45/562496445.db2.gz ZJJZNDOPAFXZPQ-WDNDVIMCSA-N 0 3 355.460 2.287 20 5 FEBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000533047766 562496680 /nfs/dbraw/zinc/49/66/80/562496680.db2.gz MRBDDPDXMKVMHL-ZDUSSCGKSA-N 0 3 357.414 2.284 20 5 FEBDHN C[C@H]1CCCC[C@@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375710 562610746 /nfs/dbraw/zinc/61/07/46/562610746.db2.gz WTTVDTJGOBATME-UONOGXRCSA-N 0 3 355.460 2.289 20 5 FEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908371 562622947 /nfs/dbraw/zinc/62/29/47/562622947.db2.gz KXWWCQZXWRPBBX-DZGCQCFKSA-N 0 3 355.398 2.369 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000541975387 562624908 /nfs/dbraw/zinc/62/49/08/562624908.db2.gz NKPPOKOVOAIIPB-GOSISDBHSA-N 0 3 373.384 2.231 20 5 FEBDHN NC(=O)[C@H](Cc1ccccc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568322471 568024127 /nfs/dbraw/zinc/02/41/27/568024127.db2.gz GEPWNYRUVAFFJG-SFHVURJKSA-N 0 3 352.394 2.305 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000568558050 568051414 /nfs/dbraw/zinc/05/14/14/568051414.db2.gz MXMOTJQMGBUOOG-AEGPPILISA-N 0 3 358.398 2.473 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603143585 568067354 /nfs/dbraw/zinc/06/73/54/568067354.db2.gz HHHKGKGDOXTMMS-HIFRSBDPSA-N 0 3 372.347 2.224 20 5 FEBDHN Cc1c(CNC[C@@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000568620904 568099760 /nfs/dbraw/zinc/09/97/60/568099760.db2.gz QYLJBSTXJPADSG-CQSZACIVSA-N 0 3 360.366 2.161 20 5 FEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000569514448 568404580 /nfs/dbraw/zinc/40/45/80/568404580.db2.gz DCDXLQKWSCOWQS-XJKSGUPXSA-N 0 3 364.421 2.101 20 5 FEBDHN CCC[C@@](C)(N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569572557 568408100 /nfs/dbraw/zinc/40/81/00/568408100.db2.gz CBMJXWHQTJQKNI-GOSISDBHSA-N 0 3 374.445 2.027 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@@H]1CN ZINC000569847465 568428388 /nfs/dbraw/zinc/42/83/88/568428388.db2.gz ZVANDQWQTYQUBQ-KRWDZBQOSA-N 0 3 370.409 2.100 20 5 FEBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000584716729 568557020 /nfs/dbraw/zinc/55/70/20/568557020.db2.gz MMKCTMATEDLMDQ-UONOGXRCSA-N 0 3 362.430 2.303 20 5 FEBDHN Cc1c([C@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924214 674428155 /nfs/dbraw/zinc/42/81/55/674428155.db2.gz IGUKKIWPVIXSLG-UONOGXRCSA-N 0 3 355.460 2.368 20 5 FEBDHN CC[N@H+]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000821240099 606730896 /nfs/dbraw/zinc/73/08/96/606730896.db2.gz DXRVEBSVUJVGMY-BONVTDFDSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@@H+]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000821240099 606730897 /nfs/dbraw/zinc/73/08/97/606730897.db2.gz DXRVEBSVUJVGMY-BONVTDFDSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000821240099 606730898 /nfs/dbraw/zinc/73/08/98/606730898.db2.gz DXRVEBSVUJVGMY-BONVTDFDSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@@H+]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000821240099 606730899 /nfs/dbraw/zinc/73/08/99/606730899.db2.gz DXRVEBSVUJVGMY-BONVTDFDSA-N 0 3 368.401 2.075 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813101993 674719208 /nfs/dbraw/zinc/71/92/08/674719208.db2.gz MJYBVAYVVBBBKM-ZFWWWQNUSA-N 0 3 350.371 2.244 20 5 FEBDHN CC(COC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813112030 674721137 /nfs/dbraw/zinc/72/11/37/674721137.db2.gz YNXMOQQRGOLJSK-ZDUSSCGKSA-N 0 3 363.391 2.483 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)[N+](=O)[O-] ZINC000813115179 674721381 /nfs/dbraw/zinc/72/13/81/674721381.db2.gz LZYVQQUVQJXASW-WDEREUQCSA-N 0 3 350.400 2.116 20 5 FEBDHN CC(COC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[N+](=O)[O-] ZINC000813114605 674721470 /nfs/dbraw/zinc/72/14/70/674721470.db2.gz UGUHCHAUFUEWQF-NEPJUHHUSA-N 0 3 367.427 2.007 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)[N+](=O)[O-] ZINC000813105992 674720100 /nfs/dbraw/zinc/72/01/00/674720100.db2.gz XEGSUALLLSCOSK-RYUDHWBXSA-N 0 3 353.350 2.278 20 5 FEBDHN CC(COC(=O)CCNC(=O)Nc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813108355 674720332 /nfs/dbraw/zinc/72/03/32/674720332.db2.gz DRUSYVUPCVSPPX-VIFPVBQESA-N 0 3 374.191 2.169 20 5 FEBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750305 675077643 /nfs/dbraw/zinc/07/76/43/675077643.db2.gz LDLOYDINFHOUKB-LSDHHAIUSA-N 0 3 353.806 2.183 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000065978443 670436027 /nfs/dbraw/zinc/43/60/27/670436027.db2.gz POHHNZRPICJHDF-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000110994378 670853359 /nfs/dbraw/zinc/85/33/59/670853359.db2.gz RBMFIKWCDQWIPO-GFCCVEGCSA-N 0 3 350.375 2.416 20 5 FEBDHN COC[C@](C)(O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000609565352 675926919 /nfs/dbraw/zinc/92/69/19/675926919.db2.gz FUXBUHCKVCPUQH-QGZVFWFLSA-N 0 3 350.371 2.350 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@H](N(CC)CC)C2)cc1[N+](=O)[O-] ZINC000579705828 671754840 /nfs/dbraw/zinc/75/48/40/671754840.db2.gz QMNZOWJJQPUJQF-AWEZNQCLSA-N 0 3 355.460 2.262 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000610135419 675956187 /nfs/dbraw/zinc/95/61/87/675956187.db2.gz RPNIGPWYNYLVOO-UONOGXRCSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000610135307 675956236 /nfs/dbraw/zinc/95/62/36/675956236.db2.gz PLMNXMXWPUCKQE-NWDGAFQWSA-N 0 3 359.423 2.227 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000125459820 672011916 /nfs/dbraw/zinc/01/19/16/672011916.db2.gz NPNGCVLYGWCUEV-NSHDSACASA-N 0 3 373.862 2.319 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590047168 672556520 /nfs/dbraw/zinc/55/65/20/672556520.db2.gz WMXXTIWTSWJSFI-SWLSCSKDSA-N 0 3 358.423 2.494 20 5 FEBDHN CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000591925682 672722389 /nfs/dbraw/zinc/72/23/89/672722389.db2.gz WPVPPWNIXFMDEX-CQSZACIVSA-N 0 3 350.419 2.229 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)C2(OC)CCOCC2)c1 ZINC000593035483 672866250 /nfs/dbraw/zinc/86/62/50/672866250.db2.gz MZHIHQBQGZNJOS-GFCCVEGCSA-N 0 3 352.387 2.055 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959819 673181178 /nfs/dbraw/zinc/18/11/78/673181178.db2.gz GVASJHXAWWLPCP-IPKGXFCISA-N 0 3 356.444 2.391 20 5 FEBDHN COc1cc(C[NH2+]CC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000595000705 673185227 /nfs/dbraw/zinc/18/52/27/673185227.db2.gz MGTPWISQBOHXIJ-UHFFFAOYSA-N 0 3 351.403 2.225 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000597100207 673447762 /nfs/dbraw/zinc/44/77/62/673447762.db2.gz GPMFHBSUUZPTJV-RNCFNFMXSA-N 0 3 353.810 2.388 20 5 FEBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000597654222 673496466 /nfs/dbraw/zinc/49/64/66/673496466.db2.gz PTBDXMGOEMFZLO-LBPRGKRZSA-N 0 3 355.460 2.139 20 5 FEBDHN CCCN1CC[C@@H](NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000598343058 673561293 /nfs/dbraw/zinc/56/12/93/673561293.db2.gz PZWZYDQDKCWVPM-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855286 673610571 /nfs/dbraw/zinc/61/05/71/673610571.db2.gz COWWBDOGJUDUAM-CABZTGNLSA-N 0 3 355.341 2.409 20 5 FEBDHN COc1cc(CNCC2COC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000599012231 673628213 /nfs/dbraw/zinc/62/82/13/673628213.db2.gz PLTUPTJJGAHZOW-UHFFFAOYSA-N 0 3 350.293 2.281 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601357002 673847470 /nfs/dbraw/zinc/84/74/70/673847470.db2.gz YDGBTXWOPKGLJI-GXTWGEPZSA-N 0 3 373.450 2.393 20 5 FEBDHN CCCCCNC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602761522 673910587 /nfs/dbraw/zinc/91/05/87/673910587.db2.gz DVMXCYBGLHFWNR-UHFFFAOYSA-N 0 3 351.451 2.118 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000567020474 675260667 /nfs/dbraw/zinc/26/06/67/675260667.db2.gz WAGUDTWHIAWLOS-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000827494107 675760212 /nfs/dbraw/zinc/76/02/12/675760212.db2.gz DWAZMICRFZRMEA-AWEZNQCLSA-N 0 3 351.378 2.107 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827500441 675760766 /nfs/dbraw/zinc/76/07/66/675760766.db2.gz APCVJWFLFNVMQN-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN C[NH+](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000616071358 676238344 /nfs/dbraw/zinc/23/83/44/676238344.db2.gz YPUWUCFFVYWABN-LBPRGKRZSA-N 0 3 361.489 2.445 20 5 FEBDHN Cc1cnc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)s1 ZINC001034816037 680440088 /nfs/dbraw/zinc/44/00/88/680440088.db2.gz IZTKTAHYAUSWTA-HUUCEWRRSA-N 0 3 360.439 2.023 20 5 FEBDHN COc1ccc(Cl)cc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789262 680508274 /nfs/dbraw/zinc/50/82/74/680508274.db2.gz UNLKVVFPQQXWPS-HUUCEWRRSA-N 0 3 367.833 2.094 20 5 FEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484428 681395803 /nfs/dbraw/zinc/39/58/03/681395803.db2.gz HVLZMFQWVAZLIF-RIEGTJTDSA-N 0 3 371.821 2.359 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466081 681417221 /nfs/dbraw/zinc/41/72/21/681417221.db2.gz YDZOURGBNZZTGN-ZDUSSCGKSA-N 0 3 353.423 2.041 20 5 FEBDHN C[C@H](COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCCC1 ZINC000847958763 681455670 /nfs/dbraw/zinc/45/56/70/681455670.db2.gz AWRUSDHUXAMQCP-GFCCVEGCSA-N 0 3 350.371 2.397 20 5 FEBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000934497340 681580163 /nfs/dbraw/zinc/58/01/63/681580163.db2.gz UNIPNBILUNOCSJ-CQSZACIVSA-N 0 3 369.219 2.051 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000914241196 685500439 /nfs/dbraw/zinc/50/04/39/685500439.db2.gz FWSJEYYUJFLFDP-HNNXBMFYSA-N 0 3 373.862 2.154 20 5 FEBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784820581 682254588 /nfs/dbraw/zinc/25/45/88/682254588.db2.gz BARLOXBHVSSGTP-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000918468359 685539339 /nfs/dbraw/zinc/53/93/39/685539339.db2.gz QNDUVTYXYVJTFE-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN COC1CCN(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790871733 682708949 /nfs/dbraw/zinc/70/89/49/682708949.db2.gz BTZSOZRMGHYUPR-UHFFFAOYSA-N 0 3 373.812 2.157 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1cccc(Br)c1[N+](=O)[O-] ZINC000856729629 682799850 /nfs/dbraw/zinc/79/98/50/682799850.db2.gz ODPIAVCZIFAZTC-UHFFFAOYSA-N 0 3 371.279 2.431 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862484956 683594926 /nfs/dbraw/zinc/59/49/26/683594926.db2.gz DMMNITAPWXMDOJ-CHWSQXEVSA-N 0 3 361.851 2.198 20 5 FEBDHN CCN1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865619520 684005828 /nfs/dbraw/zinc/00/58/28/684005828.db2.gz IWAWMABUZIRKQW-UHFFFAOYSA-N 0 3 370.247 2.454 20 5 FEBDHN CC(C)(O)CN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000865655945 684010840 /nfs/dbraw/zinc/01/08/40/684010840.db2.gz PLAMBBLUCGADLU-LBPRGKRZSA-N 0 3 359.373 2.131 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866892019 684175606 /nfs/dbraw/zinc/17/56/06/684175606.db2.gz AMHMNAXZPYHIHI-GFCCVEGCSA-N 0 3 359.423 2.147 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877740128 686447924 /nfs/dbraw/zinc/44/79/24/686447924.db2.gz VBNKRGVPXDOVQF-ZIAGYGMSSA-N 0 3 366.439 2.332 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478337 687642878 /nfs/dbraw/zinc/64/28/78/687642878.db2.gz DJGYCEIKCDGLRT-UHFFFAOYSA-N 0 3 359.835 2.155 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906572605 691285533 /nfs/dbraw/zinc/28/55/33/691285533.db2.gz JYBFTPNQKSIYGB-HNNXBMFYSA-N 0 3 369.849 2.408 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCCN1CCO ZINC000908539718 691695610 /nfs/dbraw/zinc/69/56/10/691695610.db2.gz BGXKPQDCVWIOOY-OAHLLOKOSA-N 0 3 369.849 2.144 20 5 FEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000910280329 691910680 /nfs/dbraw/zinc/91/06/80/691910680.db2.gz QLLXRFKCEOJDBY-LBPRGKRZSA-N 0 3 352.410 2.356 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901678 721511883 /nfs/dbraw/zinc/51/18/83/721511883.db2.gz XYBFFZRJSFCJBX-RDJZCZTQSA-N 0 3 358.373 2.471 20 5 FEBDHN Nc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906330 721540111 /nfs/dbraw/zinc/54/01/11/721540111.db2.gz JVLKKUYLCDOHHS-HIFRSBDPSA-N 0 3 373.388 2.053 20 5 FEBDHN COCCN(C)CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041423012 540020189 /nfs/dbraw/zinc/02/01/89/540020189.db2.gz ISOJARDZAOEGAZ-CYBMUJFWSA-N 0 3 355.460 2.160 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000057713888 540811082 /nfs/dbraw/zinc/81/10/82/540811082.db2.gz GZKNPMOORPRTFD-VIFPVBQESA-N 0 3 373.356 2.417 20 5 FEBDHN COc1ccc(CSCC(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000058858457 540857382 /nfs/dbraw/zinc/85/73/82/540857382.db2.gz IYTSAMONEQRRCA-UHFFFAOYSA-N 0 3 353.444 2.047 20 5 FEBDHN CC(C)(C)N1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000063724819 541181862 /nfs/dbraw/zinc/18/18/62/541181862.db2.gz UHSGRZLLWMTFFQ-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000065841395 541265202 /nfs/dbraw/zinc/26/52/02/541265202.db2.gz KBXUKRTXDRYXHU-ZDUSSCGKSA-N 0 3 363.443 2.115 20 5 FEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(C)CC1 ZINC000067272018 541439419 /nfs/dbraw/zinc/43/94/19/541439419.db2.gz ARZROGWUBVLZGS-ZDUSSCGKSA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067764191 541510293 /nfs/dbraw/zinc/51/02/93/541510293.db2.gz HAXIPLPWAOWZGI-CYBMUJFWSA-N 0 3 362.430 2.078 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000068180215 541558443 /nfs/dbraw/zinc/55/84/43/541558443.db2.gz UBWFVWRYDOSVKV-MRXNPFEDSA-N 0 3 359.430 2.299 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000068902914 541639551 /nfs/dbraw/zinc/63/95/51/541639551.db2.gz IJUAGDUHUSBXBY-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000069083226 541654942 /nfs/dbraw/zinc/65/49/42/541654942.db2.gz JOCYIZDETYBUQE-UHFFFAOYSA-N 0 3 364.446 2.348 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000109213581 206050343 /nfs/dbraw/zinc/05/03/43/206050343.db2.gz DKYXNVNXXBLMNZ-OAHLLOKOSA-N 0 3 353.444 2.152 20 5 FEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](C)C1 ZINC000076367858 542267744 /nfs/dbraw/zinc/26/77/44/542267744.db2.gz WUQPLTCCWYUYSF-OLZOCXBDSA-N 0 3 363.414 2.216 20 5 FEBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000089580615 542764992 /nfs/dbraw/zinc/76/49/92/542764992.db2.gz ZWGZDFCENHHKIJ-ZDUSSCGKSA-N 0 3 354.370 2.300 20 5 FEBDHN CCOc1cc(C(=O)N(C)CCN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000103119082 543093374 /nfs/dbraw/zinc/09/33/74/543093374.db2.gz WVYQKNKDBPTLQE-UHFFFAOYSA-N 0 3 351.403 2.170 20 5 FEBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000107262612 543264502 /nfs/dbraw/zinc/26/45/02/543264502.db2.gz NMJBMJIHGQLHPS-UHFFFAOYSA-N 0 3 358.398 2.202 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000114376414 543512044 /nfs/dbraw/zinc/51/20/44/543512044.db2.gz PHZMNWBQRVUNMV-MRXNPFEDSA-N 0 3 359.430 2.487 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000115436532 543566823 /nfs/dbraw/zinc/56/68/23/543566823.db2.gz JSBUWHLBLBERML-CYBMUJFWSA-N 0 3 363.414 2.185 20 5 FEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000116067815 543597055 /nfs/dbraw/zinc/59/70/55/543597055.db2.gz JWNYQATYJDDPNZ-CQSZACIVSA-N 0 3 357.414 2.133 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1C1CC1 ZINC000127614894 544003598 /nfs/dbraw/zinc/00/35/98/544003598.db2.gz LWTVYKQKGABEPT-LSDHHAIUSA-N 0 3 373.457 2.052 20 5 FEBDHN O=C(CN[C@@H]1CCCC[C@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128649446 544065115 /nfs/dbraw/zinc/06/51/15/544065115.db2.gz RXHPZDYJRFUQQV-IAGOWNOFSA-N 0 3 369.425 2.454 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000137055908 544383936 /nfs/dbraw/zinc/38/39/36/544383936.db2.gz FRMUDUOCDKNRQB-GOEBONIOSA-N 0 3 357.414 2.046 20 5 FEBDHN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1[C@H](C)CC[C@@H]1C ZINC000247516488 549349117 /nfs/dbraw/zinc/34/91/17/549349117.db2.gz ZMAWSPILFPVGSO-LJISPDSOSA-N 0 3 361.446 2.264 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151648541 544566271 /nfs/dbraw/zinc/56/62/71/544566271.db2.gz VYAIIQFKHWGGMM-GFCCVEGCSA-N 0 3 373.862 2.355 20 5 FEBDHN CCc1nc2c(s1)[C@@H](N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000152477496 544658479 /nfs/dbraw/zinc/65/84/79/544658479.db2.gz WVVFGPBTSMKMKC-JSGCOSHPSA-N 0 3 365.459 2.181 20 5 FEBDHN CS(=O)(=O)N1CCC[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153265654 544754134 /nfs/dbraw/zinc/75/41/34/544754134.db2.gz UUJMJNBWPIVHSY-OAHLLOKOSA-N 0 3 367.471 2.231 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154966131 544971471 /nfs/dbraw/zinc/97/14/71/544971471.db2.gz JFENZHMZAPTTKF-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064078 327759216 /nfs/dbraw/zinc/75/92/16/327759216.db2.gz HDQPMJDLCMVUGR-WBMJQRKESA-N 0 3 362.430 2.336 20 5 FEBDHN COc1cc(CN2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184228893 327857291 /nfs/dbraw/zinc/85/72/91/327857291.db2.gz NRQVOFGTASNEFI-UHFFFAOYSA-N 0 3 353.394 2.039 20 5 FEBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000187458004 328026921 /nfs/dbraw/zinc/02/69/21/328026921.db2.gz DOXQEZGBCZZBCN-QGZVFWFLSA-N 0 3 369.425 2.212 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189023625 328124036 /nfs/dbraw/zinc/12/40/36/328124036.db2.gz SJVVCBUPKKLBBR-UHFFFAOYSA-N 0 3 362.474 2.476 20 5 FEBDHN COc1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000189957845 328178809 /nfs/dbraw/zinc/17/88/09/328178809.db2.gz KWWFZDHTBTYJFE-GFCCVEGCSA-N 0 3 355.410 2.020 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1[N+](=O)[O-] ZINC000190077892 328186212 /nfs/dbraw/zinc/18/62/12/328186212.db2.gz DGXUFSHFSXETKN-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135908 328359256 /nfs/dbraw/zinc/35/92/56/328359256.db2.gz IFQJQQKXEUCPNR-STQMWFEESA-N 0 3 355.460 2.287 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000193794191 328395526 /nfs/dbraw/zinc/39/55/26/328395526.db2.gz OAZGRSUPGNNWND-OAHLLOKOSA-N 0 3 357.414 2.063 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000053992467 324753343 /nfs/dbraw/zinc/75/33/43/324753343.db2.gz RAIODBRDWXNHOA-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN Cc1c(C(=O)N[C@@H](C)CN2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000078827736 325064582 /nfs/dbraw/zinc/06/45/82/325064582.db2.gz KXSWHXYKAKCRQJ-ZDUSSCGKSA-N 0 3 372.429 2.088 20 5 FEBDHN N[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000237876346 328532707 /nfs/dbraw/zinc/53/27/07/328532707.db2.gz CJWHOPPXTVDORX-SFHVURJKSA-N 0 3 354.410 2.334 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091673382 325389469 /nfs/dbraw/zinc/38/94/69/325389469.db2.gz IDGHCBXMQDHTHW-MNOVXSKESA-N 0 3 357.208 2.027 20 5 FEBDHN COc1cc(C(=O)N(C)CC2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000103452211 325518380 /nfs/dbraw/zinc/51/83/80/325518380.db2.gz JOEDTROZWNXHCT-UHFFFAOYSA-N 0 3 351.403 2.026 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245525101 328555851 /nfs/dbraw/zinc/55/58/51/328555851.db2.gz OCXZLMFHEOWCFV-UPJWGTAASA-N 0 3 363.414 2.420 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000120062668 326226777 /nfs/dbraw/zinc/22/67/77/326226777.db2.gz SNDQVZDEWPDRRF-KBPBESRZSA-N 0 3 367.421 2.282 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000120130686 326233186 /nfs/dbraw/zinc/23/31/86/326233186.db2.gz DKOQXCJROKXMRQ-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN CCOC(=O)c1cc(NC2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000121723564 326361606 /nfs/dbraw/zinc/36/16/06/326361606.db2.gz NRDADZJIKBGZIO-UHFFFAOYSA-N 0 3 364.446 2.209 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000126764414 326494684 /nfs/dbraw/zinc/49/46/84/326494684.db2.gz IZWDEWBOYNRCIC-INIZCTEOSA-N 0 3 359.382 2.148 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000127928268 326514970 /nfs/dbraw/zinc/51/49/70/326514970.db2.gz BDLIJZMUQOIVRX-OAHLLOKOSA-N 0 3 359.430 2.450 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000153128710 326724658 /nfs/dbraw/zinc/72/46/58/326724658.db2.gz PJFKOGLVGBYURA-KRWDZBQOSA-N 0 3 367.471 2.375 20 5 FEBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000161490636 327001078 /nfs/dbraw/zinc/00/10/78/327001078.db2.gz KASLPNYKFXXVLX-UHFFFAOYSA-N 0 3 359.220 2.331 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163809691 327059313 /nfs/dbraw/zinc/05/93/13/327059313.db2.gz AXXLFYUBXZLUJT-INIZCTEOSA-N 0 3 369.487 2.273 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000171979974 327174013 /nfs/dbraw/zinc/17/40/13/327174013.db2.gz NSKCWMUOLNZUCJ-GFCCVEGCSA-N 0 3 367.402 2.363 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173244196 327243610 /nfs/dbraw/zinc/24/36/10/327243610.db2.gz PTMOWNADTUXOSL-GWCFXTLKSA-N 0 3 361.851 2.209 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000173259497 327244846 /nfs/dbraw/zinc/24/48/46/327244846.db2.gz YYQBTQJRTRWEFV-HIFRSBDPSA-N 0 3 355.460 2.254 20 5 FEBDHN C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343847 327250940 /nfs/dbraw/zinc/25/09/40/327250940.db2.gz LTUXUJNIZPUQBF-PBHICJAKSA-N 0 3 351.472 2.453 20 5 FEBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173634275 327272556 /nfs/dbraw/zinc/27/25/56/327272556.db2.gz OWAYEFQYTGELTG-CYBMUJFWSA-N 0 3 371.434 2.230 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000173996091 327300321 /nfs/dbraw/zinc/30/03/21/327300321.db2.gz OHBFKJXMHWWEAF-KRWDZBQOSA-N 0 3 372.425 2.199 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000174105280 327306524 /nfs/dbraw/zinc/30/65/24/327306524.db2.gz CGRIUQYNJDCLCS-LBPRGKRZSA-N 0 3 367.402 2.363 20 5 FEBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727969 327346439 /nfs/dbraw/zinc/34/64/39/327346439.db2.gz ZXKHPZDSDSFNAE-GXTWGEPZSA-N 0 3 370.356 2.495 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175024479 327368792 /nfs/dbraw/zinc/36/87/92/327368792.db2.gz NSSWNNZSMYEANQ-UHFFFAOYSA-N 0 3 371.441 2.223 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170673 327378028 /nfs/dbraw/zinc/37/80/28/327378028.db2.gz UGLAULVYRCYQBC-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1nn(C)c(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000262988038 328906032 /nfs/dbraw/zinc/90/60/32/328906032.db2.gz NZTJRUNCDAYWED-UHFFFAOYSA-N 0 3 357.292 2.367 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000264238701 329003539 /nfs/dbraw/zinc/00/35/39/329003539.db2.gz MZGPGQNMRJOKLN-UHFFFAOYSA-N 0 3 371.437 2.437 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264597063 329039142 /nfs/dbraw/zinc/03/91/42/329039142.db2.gz MSSWNAUWQJGBPV-SFHVURJKSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1cc(CNC[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265093335 329090099 /nfs/dbraw/zinc/09/00/99/329090099.db2.gz OJEYKXOTKAZRTG-LBPRGKRZSA-N 0 3 364.320 2.405 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000265108491 329091836 /nfs/dbraw/zinc/09/18/36/329091836.db2.gz JUAPNIQWTNKATC-UHFFFAOYSA-N 0 3 373.457 2.224 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000265115807 329092469 /nfs/dbraw/zinc/09/24/69/329092469.db2.gz INMLIZHUYKRGDD-UHFFFAOYSA-N 0 3 362.430 2.102 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC(OC)CC1 ZINC000265204997 329101959 /nfs/dbraw/zinc/10/19/59/329101959.db2.gz KMYLVSPTLGFGIE-UHFFFAOYSA-N 0 3 351.403 2.431 20 5 FEBDHN C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864746 329267002 /nfs/dbraw/zinc/26/70/02/329267002.db2.gz LXMMODGKLJRKJC-IUODEOHRSA-N 0 3 360.366 2.414 20 5 FEBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000267465982 329330304 /nfs/dbraw/zinc/33/03/04/329330304.db2.gz LYEJKWYWQVVQPG-NSHDSACASA-N 0 3 354.204 2.278 20 5 FEBDHN CN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267947099 329370712 /nfs/dbraw/zinc/37/07/12/329370712.db2.gz USZOBLLVBCGFEI-VIFPVBQESA-N 0 3 360.183 2.320 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000270756777 329628835 /nfs/dbraw/zinc/62/88/35/329628835.db2.gz KVYMKFGUPRDDNB-GFCCVEGCSA-N 0 3 351.432 2.203 20 5 FEBDHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486772 329868671 /nfs/dbraw/zinc/86/86/71/329868671.db2.gz VWCSSUWENFWGTJ-JKSUJKDBSA-N 0 3 368.455 2.306 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1N1CCCC1 ZINC000274187950 329924247 /nfs/dbraw/zinc/92/42/47/329924247.db2.gz LGPDTCXCQNPUPD-HUUCEWRRSA-N 0 3 364.471 2.137 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275131089 330013680 /nfs/dbraw/zinc/01/36/80/330013680.db2.gz OOGXDPHZBXPBHV-CABCVRRESA-N 0 3 353.419 2.386 20 5 FEBDHN CCc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000270246346 517846806 /nfs/dbraw/zinc/84/68/06/517846806.db2.gz PVFGOPJVBMZEDP-UHFFFAOYSA-N 0 3 358.398 2.133 20 5 FEBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000478568661 561169755 /nfs/dbraw/zinc/16/97/55/561169755.db2.gz XKOBTQQEWQWGMW-UONOGXRCSA-N 0 3 372.429 2.168 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC1CCOCC1 ZINC000176426587 546444650 /nfs/dbraw/zinc/44/46/50/546444650.db2.gz CSECOAAPDOEHPV-KRWDZBQOSA-N 0 3 352.431 2.362 20 5 FEBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCCCC2)c(Br)c1 ZINC000177543977 546641999 /nfs/dbraw/zinc/64/19/99/546641999.db2.gz CZOPHKFPBGIPFE-LLVKDONJSA-N 0 3 359.224 2.011 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000178629630 546822927 /nfs/dbraw/zinc/82/29/27/546822927.db2.gz KZERZRSALOWNQK-WCQYABFASA-N 0 3 352.822 2.355 20 5 FEBDHN CN1CCN([C@H]2CCCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931107 546875899 /nfs/dbraw/zinc/87/58/99/546875899.db2.gz RSSBJORQGUUILE-KRWDZBQOSA-N 0 3 350.438 2.336 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000180480903 547115996 /nfs/dbraw/zinc/11/59/96/547115996.db2.gz JOAMCCYRVLXVJH-LJQANCHMSA-N 0 3 369.421 2.482 20 5 FEBDHN CC(C)CCO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181976401 547416255 /nfs/dbraw/zinc/41/62/55/547416255.db2.gz JXOZPOXZTYBMBG-HOTGVXAUSA-N 0 3 352.431 2.472 20 5 FEBDHN CC(C)(C)CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220021 547456089 /nfs/dbraw/zinc/45/60/89/547456089.db2.gz GEWSQCBATVBLSR-INIZCTEOSA-N 0 3 365.474 2.388 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909894 547570431 /nfs/dbraw/zinc/57/04/31/547570431.db2.gz FRFROMJPJXADKD-GOSISDBHSA-N 0 3 362.474 2.076 20 5 FEBDHN CCCCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000183054674 547593527 /nfs/dbraw/zinc/59/35/27/547593527.db2.gz HGCVBAIHHROKIP-UHFFFAOYSA-N 0 3 350.419 2.209 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000183573374 547683128 /nfs/dbraw/zinc/68/31/28/547683128.db2.gz HPLSUXYIBAPODK-OAHLLOKOSA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184353544 547812508 /nfs/dbraw/zinc/81/25/08/547812508.db2.gz LVMCPFIVXMSDCF-HNNXBMFYSA-N 0 3 362.474 2.276 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184484774 547834192 /nfs/dbraw/zinc/83/41/92/547834192.db2.gz WYAVEJWTMOTULR-CQSZACIVSA-N 0 3 363.462 2.359 20 5 FEBDHN CCc1[nH]nc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1[N+](=O)[O-] ZINC000184508894 547838740 /nfs/dbraw/zinc/83/87/40/547838740.db2.gz KCZHCOCCAHUPCF-UHFFFAOYSA-N 0 3 372.429 2.275 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1[N+](=O)[O-] ZINC000184508894 547838743 /nfs/dbraw/zinc/83/87/43/547838743.db2.gz KCZHCOCCAHUPCF-UHFFFAOYSA-N 0 3 372.429 2.275 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000184844672 547886453 /nfs/dbraw/zinc/88/64/53/547886453.db2.gz YQLVPYXAYKCITP-QGZVFWFLSA-N 0 3 373.457 2.373 20 5 FEBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000185435977 547985040 /nfs/dbraw/zinc/98/50/40/547985040.db2.gz TZICNXCOHVMEBR-CQSZACIVSA-N 0 3 372.429 2.170 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000186166213 548093311 /nfs/dbraw/zinc/09/33/11/548093311.db2.gz GEHSMBUIXDDWEL-IBGZPJMESA-N 0 3 356.426 2.371 20 5 FEBDHN CC(C)[C@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236729080 548776380 /nfs/dbraw/zinc/77/63/80/548776380.db2.gz AVGOHUSKWCPABQ-AWEZNQCLSA-N 0 3 374.363 2.246 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000246114261 549055254 /nfs/dbraw/zinc/05/52/54/549055254.db2.gz INVPGAXPUYAYOQ-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247629547 549366982 /nfs/dbraw/zinc/36/69/82/549366982.db2.gz SPIXQLNHFIBVCX-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000248342059 549420690 /nfs/dbraw/zinc/42/06/90/549420690.db2.gz JHLKFLMAMMEMHR-HIFRSBDPSA-N 0 3 355.460 2.172 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000250670465 549643749 /nfs/dbraw/zinc/64/37/49/549643749.db2.gz WWFABPZQJZYPJZ-ZWKOTPCHSA-N 0 3 352.431 2.362 20 5 FEBDHN Cc1n[nH]c(C(=O)N(CCCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000264121368 549981076 /nfs/dbraw/zinc/98/10/76/549981076.db2.gz CRVJJOLLMYFJCS-UHFFFAOYSA-N 0 3 359.430 2.263 20 5 FEBDHN Cc1[nH]nc(C(=O)N(CCCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000264121368 549981079 /nfs/dbraw/zinc/98/10/79/549981079.db2.gz CRVJJOLLMYFJCS-UHFFFAOYSA-N 0 3 359.430 2.263 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000493537550 561456617 /nfs/dbraw/zinc/45/66/17/561456617.db2.gz WDELKDZAYUQQNC-BBRMVZONSA-N 0 3 370.409 2.074 20 5 FEBDHN COc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000272452594 550449486 /nfs/dbraw/zinc/44/94/86/550449486.db2.gz MVWFHBZIGSFDNB-HUUCEWRRSA-N 0 3 362.430 2.229 20 5 FEBDHN Cc1cc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000273147483 550487003 /nfs/dbraw/zinc/48/70/03/550487003.db2.gz LFNVTQSYWSWCHU-HNNXBMFYSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000273147483 550487005 /nfs/dbraw/zinc/48/70/05/550487005.db2.gz LFNVTQSYWSWCHU-HNNXBMFYSA-N 0 3 360.414 2.246 20 5 FEBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000273362420 550495459 /nfs/dbraw/zinc/49/54/59/550495459.db2.gz QTGZKXZEPQOZMG-DLBZAZTESA-N 0 3 360.410 2.390 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc[nH]c(=O)c2C1 ZINC000277017563 550622282 /nfs/dbraw/zinc/62/22/82/550622282.db2.gz ZGATYTGEQFVRBN-UHFFFAOYSA-N 0 3 372.381 2.091 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278738810 550816705 /nfs/dbraw/zinc/81/67/05/550816705.db2.gz REDJVKMDNJCQGI-GFCCVEGCSA-N 0 3 374.445 2.343 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@]1(CO)CCCc2ccccc21 ZINC000281569591 551114366 /nfs/dbraw/zinc/11/43/66/551114366.db2.gz CMAMCDNVTDSUDW-UZLBHIALSA-N 0 3 372.421 2.148 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCC23CCOCC3)cc1 ZINC000282040910 551173059 /nfs/dbraw/zinc/17/30/59/551173059.db2.gz LNBNKAPCCXORBD-MRXNPFEDSA-N 0 3 368.455 2.307 20 5 FEBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000282541027 551244084 /nfs/dbraw/zinc/24/40/84/551244084.db2.gz SJVRRQMODYLPHX-UHFFFAOYSA-N 0 3 356.430 2.455 20 5 FEBDHN COCC[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746339 551265912 /nfs/dbraw/zinc/26/59/12/551265912.db2.gz NLWFKIVPSBWRAQ-BBRMVZONSA-N 0 3 356.444 2.163 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000497459487 561501390 /nfs/dbraw/zinc/50/13/90/561501390.db2.gz JWXKGSITWDQYNP-RDJZCZTQSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000283283782 551341656 /nfs/dbraw/zinc/34/16/56/551341656.db2.gz BTXMXKVZGCMQEV-SNVBAGLBSA-N 0 3 356.220 2.442 20 5 FEBDHN COc1cc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286483171 551891286 /nfs/dbraw/zinc/89/12/86/551891286.db2.gz VCVVAKYDLNSVMO-GOOCMWNKSA-N 0 3 362.430 2.099 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286878787 551935989 /nfs/dbraw/zinc/93/59/89/551935989.db2.gz ZFVJLWLXUICSSZ-HIFRSBDPSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982330 552070752 /nfs/dbraw/zinc/07/07/52/552070752.db2.gz APHCXOAFHHURLN-GOEBONIOSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1nnc(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289694819 552362860 /nfs/dbraw/zinc/36/28/60/552362860.db2.gz DCUTUYLDJABZRI-UHFFFAOYSA-N 0 3 358.427 2.488 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000290356482 552466327 /nfs/dbraw/zinc/46/63/27/552466327.db2.gz YXLFDXXSHIOCNY-ZDUSSCGKSA-N 0 3 362.430 2.086 20 5 FEBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290872369 552553531 /nfs/dbraw/zinc/55/35/31/552553531.db2.gz ZUVHVDFCUXHCPX-OAHLLOKOSA-N 0 3 369.425 2.047 20 5 FEBDHN CC(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292980070 552776892 /nfs/dbraw/zinc/77/68/92/552776892.db2.gz HGIGPSLIYGMMOT-MRXNPFEDSA-N 0 3 370.471 2.145 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(CS(C)(=O)=O)CC1 ZINC000293655487 552844321 /nfs/dbraw/zinc/84/43/21/552844321.db2.gz IUJHULPVPGILCO-UHFFFAOYSA-N 0 3 356.444 2.296 20 5 FEBDHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN(C2CCC2)C1 ZINC000293790573 552856617 /nfs/dbraw/zinc/85/66/17/552856617.db2.gz WTVJZLURTMFPIS-CYBMUJFWSA-N 0 3 365.405 2.446 20 5 FEBDHN COCCN(C)CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294563883 552916090 /nfs/dbraw/zinc/91/60/90/552916090.db2.gz RWFMTUNBTMATKR-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(OCCOC)CCOCC1 ZINC000294782856 552933906 /nfs/dbraw/zinc/93/39/06/552933906.db2.gz LGQKFEHZVRLXAC-UHFFFAOYSA-N 0 3 368.430 2.295 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295016116 552951381 /nfs/dbraw/zinc/95/13/81/552951381.db2.gz PXCZBJINCKLQCD-ZDUSSCGKSA-N 0 3 368.865 2.312 20 5 FEBDHN CCn1cc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000296109711 553106425 /nfs/dbraw/zinc/10/64/25/553106425.db2.gz QJFGKURRUYGBBK-GFCCVEGCSA-N 0 3 361.402 2.499 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296661904 553194896 /nfs/dbraw/zinc/19/48/96/553194896.db2.gz QJSVKYBOMWVXCH-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000297442783 553292728 /nfs/dbraw/zinc/29/27/28/553292728.db2.gz RTRAAJHOJWWEKF-GOSISDBHSA-N 0 3 362.430 2.231 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503527393 561643710 /nfs/dbraw/zinc/64/37/10/561643710.db2.gz YGWLTVPAQDQRJG-QZTJIDSGSA-N 0 3 357.410 2.484 20 5 FEBDHN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[NH+]1CCCC1 ZINC000298855190 553481391 /nfs/dbraw/zinc/48/13/91/553481391.db2.gz FBLBJIVRLUXSTQ-HNNXBMFYSA-N 0 3 358.398 2.498 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CCC[C@H](N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301869171 553686856 /nfs/dbraw/zinc/68/68/56/553686856.db2.gz GYUFBDZEZIUKSC-AWEZNQCLSA-N 0 3 367.471 2.453 20 5 FEBDHN Cc1nn(C)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302798451 553733823 /nfs/dbraw/zinc/73/38/23/553733823.db2.gz RMCBHYSPWUWCCE-INIZCTEOSA-N 0 3 359.430 2.340 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000505503065 561672373 /nfs/dbraw/zinc/67/23/73/561672373.db2.gz KWAFVQHICDCLMJ-IBGZPJMESA-N 0 3 369.425 2.338 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000331282976 554241217 /nfs/dbraw/zinc/24/12/17/554241217.db2.gz JPVZFULNVKDGQL-UHFFFAOYSA-N 0 3 355.460 2.229 20 5 FEBDHN COc1c(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332084195 554376805 /nfs/dbraw/zinc/37/68/05/554376805.db2.gz PLYMQBFGQYXBIB-LSDHHAIUSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253765 554410964 /nfs/dbraw/zinc/41/09/64/554410964.db2.gz YNXTWCCIRPGQOQ-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511491549 561870751 /nfs/dbraw/zinc/87/07/51/561870751.db2.gz GOKFKUQLECLAIK-OZLAXVTRSA-N 0 3 361.442 2.471 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511752639 561879573 /nfs/dbraw/zinc/87/95/73/561879573.db2.gz ACIQPXIPCPXNCO-INIZCTEOSA-N 0 3 371.441 2.359 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000363078992 555025634 /nfs/dbraw/zinc/02/56/34/555025634.db2.gz MEHNDJSSESHUEU-HNNXBMFYSA-N 0 3 353.444 2.016 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000511911335 561885239 /nfs/dbraw/zinc/88/52/39/561885239.db2.gz SMCGTEAUWLBDMN-HNNXBMFYSA-N 0 3 364.450 2.012 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873344 555203747 /nfs/dbraw/zinc/20/37/47/555203747.db2.gz CIMISDWFAHGHTE-SUMWQHHRSA-N 0 3 369.425 2.212 20 5 FEBDHN C[C@H]1OCC[C@@]12CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929033 555216080 /nfs/dbraw/zinc/21/60/80/555216080.db2.gz UQUUNPNGGRAEJF-HBUWYVDXSA-N 0 3 363.414 2.192 20 5 FEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000364331418 555292954 /nfs/dbraw/zinc/29/29/54/555292954.db2.gz YXVKWDKOQSMBMX-INIZCTEOSA-N 0 3 353.386 2.209 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000364432147 555313083 /nfs/dbraw/zinc/31/30/83/555313083.db2.gz ASMFURAKINJFBR-HZPDHXFCSA-N 0 3 350.415 2.226 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556831 555337712 /nfs/dbraw/zinc/33/77/12/555337712.db2.gz KQFYUJUJCZEKQU-XPKDYRNWSA-N 0 3 365.405 2.353 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](COC(F)F)C1 ZINC000512831948 561917095 /nfs/dbraw/zinc/91/70/95/561917095.db2.gz GJLWVXCZKMFZMC-LLVKDONJSA-N 0 3 371.340 2.454 20 5 FEBDHN CN1C(=O)C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365204509 555510376 /nfs/dbraw/zinc/51/03/76/555510376.db2.gz RPMIMOCNVRSPLY-SCTDSRPQSA-N 0 3 373.384 2.329 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(c2ncccn2)CC1 ZINC000366624152 555893423 /nfs/dbraw/zinc/89/34/23/555893423.db2.gz JJTVOAZFBHNDQU-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN Cc1c(C(=O)Nc2cnc3c(c2)CNCC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000367370141 556030213 /nfs/dbraw/zinc/03/02/13/556030213.db2.gz BFVQAAJXSZYAMQ-UHFFFAOYSA-N 0 3 371.353 2.413 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000367460842 556056801 /nfs/dbraw/zinc/05/68/01/556056801.db2.gz KMABUHPYFRDGQD-OAHLLOKOSA-N 0 3 362.474 2.346 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000367716826 556121751 /nfs/dbraw/zinc/12/17/51/556121751.db2.gz QKECDSSCXABMNU-MRXNPFEDSA-N 0 3 360.458 2.261 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766997 556134218 /nfs/dbraw/zinc/13/42/18/556134218.db2.gz HPYZUWGJEATBRJ-HNNXBMFYSA-N 0 3 350.438 2.193 20 5 FEBDHN Cn1cc([C@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552347 562014853 /nfs/dbraw/zinc/01/48/53/562014853.db2.gz DUCBJDJLQSRJFT-HZPDHXFCSA-N 0 3 374.441 2.194 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000368844205 556427997 /nfs/dbraw/zinc/42/79/97/556427997.db2.gz JTGPXNUJSXEUGT-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN([C@@H](C)CO)CC1 ZINC000368967329 556461823 /nfs/dbraw/zinc/46/18/23/556461823.db2.gz WTSXZQAOHQCRHO-HNNXBMFYSA-N 0 3 351.447 2.271 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359134 556579645 /nfs/dbraw/zinc/57/96/45/556579645.db2.gz PCIAQJWHULKICT-XBFCOCLRSA-N 0 3 353.444 2.276 20 5 FEBDHN Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369785369 556694359 /nfs/dbraw/zinc/69/43/59/556694359.db2.gz XGPTUPJYCGOLIT-HNNXBMFYSA-N 0 3 372.429 2.296 20 5 FEBDHN Nc1c(C(=O)NC2CCN(CCc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000370096668 556779981 /nfs/dbraw/zinc/77/99/81/556779981.db2.gz GDCQFMIBNIKVQB-UHFFFAOYSA-N 0 3 369.425 2.009 20 5 FEBDHN Cc1c([C@H](C)NC[C@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283540 557130626 /nfs/dbraw/zinc/13/06/26/557130626.db2.gz LDIWWQKIUVKDCO-QFBILLFUSA-N 0 3 363.458 2.435 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415105 562089438 /nfs/dbraw/zinc/08/94/38/562089438.db2.gz NILMYAQQYAOCFN-ZIAGYGMSSA-N 0 3 355.460 2.277 20 5 FEBDHN CC[C@H](C)N[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612519 562093832 /nfs/dbraw/zinc/09/38/32/562093832.db2.gz KZZHVUYCRUMSAZ-JSGCOSHPSA-N 0 3 363.418 2.328 20 5 FEBDHN Cc1cn2c(n1)CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491994 557198745 /nfs/dbraw/zinc/19/87/45/557198745.db2.gz ZRCAUQKUKJZWMS-KBPBESRZSA-N 0 3 357.414 2.340 20 5 FEBDHN C[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784301 557292556 /nfs/dbraw/zinc/29/25/56/557292556.db2.gz RGJKKDGUWXTOKY-DOMZBBRYSA-N 0 3 365.405 2.207 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371902588 557325456 /nfs/dbraw/zinc/32/54/56/557325456.db2.gz WWFPXBGQWIQJMR-GFCCVEGCSA-N 0 3 373.862 2.415 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372521884 557491719 /nfs/dbraw/zinc/49/17/19/557491719.db2.gz KRYIPIPQPIAIOZ-KBAYOESNSA-N 0 3 361.442 2.143 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000372588046 557513727 /nfs/dbraw/zinc/51/37/27/557513727.db2.gz NKPAPLSLEOFBSY-RUYXUALKSA-N 0 3 351.406 2.384 20 5 FEBDHN CC(=O)N1CC[C@@H](NCCn2cc([N+](=O)[O-])cn2)c2ccc(F)cc2C1 ZINC000372797962 557564299 /nfs/dbraw/zinc/56/42/99/557564299.db2.gz CYLGJBYHLXESPI-QGZVFWFLSA-N 0 3 361.377 2.014 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000519698278 562140504 /nfs/dbraw/zinc/14/05/04/562140504.db2.gz YLPOEQWWCYGEKI-MAUKXSAKSA-N 0 3 354.410 2.280 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373308774 557670146 /nfs/dbraw/zinc/67/01/46/557670146.db2.gz MZUDOKRJGLDTMX-UHFFFAOYSA-N 0 3 374.401 2.711 20 5 FEBDHN CNc1nc(C(=O)N(C)CCCN(C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000521054562 562168598 /nfs/dbraw/zinc/16/85/98/562168598.db2.gz FRZKPOXRZVFINP-UHFFFAOYSA-N 0 3 372.429 2.021 20 5 FEBDHN Cc1n[nH]cc1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375388509 558019251 /nfs/dbraw/zinc/01/92/51/558019251.db2.gz PVTVOCVQIBBLGW-MRXNPFEDSA-N 0 3 360.414 2.246 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817765 558084407 /nfs/dbraw/zinc/08/44/07/558084407.db2.gz GFRNADQZBZXJJL-WMLDXEAASA-N 0 3 369.425 2.479 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375887030 558093987 /nfs/dbraw/zinc/09/39/87/558093987.db2.gz BKKRTMLOSIDMKF-GOSISDBHSA-N 0 3 362.474 2.204 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]3(CCCCO3)C2)c1 ZINC000376043352 558118368 /nfs/dbraw/zinc/11/83/68/558118368.db2.gz PRTMWJMVXOUSKA-WMZOPIPTSA-N 0 3 350.415 2.370 20 5 FEBDHN Cc1nnc(N2CCC(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000377263418 558301761 /nfs/dbraw/zinc/30/17/61/558301761.db2.gz XRBIVIIMKLNJPX-UHFFFAOYSA-N 0 3 373.442 2.390 20 5 FEBDHN CN(CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000522598808 562200374 /nfs/dbraw/zinc/20/03/74/562200374.db2.gz ZQZRQBDOXPZCML-UHFFFAOYSA-N 0 3 359.430 2.165 20 5 FEBDHN COc1cc(OCC(=O)N2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000378334741 558532253 /nfs/dbraw/zinc/53/22/53/558532253.db2.gz MSNBFPLQRPFXFD-UHFFFAOYSA-N 0 3 363.414 2.069 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)cc1OC ZINC000524774934 562234537 /nfs/dbraw/zinc/23/45/37/562234537.db2.gz JSGYHKGFLABZLV-GFCCVEGCSA-N 0 3 351.403 2.074 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000524872545 562236462 /nfs/dbraw/zinc/23/64/62/562236462.db2.gz NOTFPRMCYJNFNF-QWHCGFSZSA-N 0 3 371.459 2.097 20 5 FEBDHN COc1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000525032447 562239558 /nfs/dbraw/zinc/23/95/58/562239558.db2.gz PMSTYCDXKKEGLW-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000411500655 558906366 /nfs/dbraw/zinc/90/63/66/558906366.db2.gz RXUGDLVDXLJZBW-LBPRGKRZSA-N 0 3 361.402 2.359 20 5 FEBDHN CNC(=O)C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411683166 558943495 /nfs/dbraw/zinc/94/34/95/558943495.db2.gz QTLKXOSWAHWIJL-QGZVFWFLSA-N 0 3 370.409 2.390 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721309 558950197 /nfs/dbraw/zinc/95/01/97/558950197.db2.gz OJTOTXIGEOGSDL-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000526973802 562271537 /nfs/dbraw/zinc/27/15/37/562271537.db2.gz HQIAPTNHACZBBF-UHFFFAOYSA-N 0 3 371.397 2.030 20 5 FEBDHN Cc1cc(NCCC(C)(C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000413518809 559113677 /nfs/dbraw/zinc/11/36/77/559113677.db2.gz JPCWXGWUMFRONP-UHFFFAOYSA-N 0 3 351.428 2.499 20 5 FEBDHN CC(C)[C@H]1N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199036 559152856 /nfs/dbraw/zinc/15/28/56/559152856.db2.gz YSKAOPJZVPXHPV-FUHWJXTLSA-N 0 3 364.442 2.472 20 5 FEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC(C)(C)S(C)(=O)=O ZINC000414273028 559154710 /nfs/dbraw/zinc/15/47/10/559154710.db2.gz XYICZSPGCSVPTL-LBPRGKRZSA-N 0 3 371.459 2.115 20 5 FEBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414479922 559167672 /nfs/dbraw/zinc/16/76/72/559167672.db2.gz ADCZFQRUOKFUIG-CQSZACIVSA-N 0 3 373.409 2.391 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000414960762 559197276 /nfs/dbraw/zinc/19/72/76/559197276.db2.gz YJEOKURKLWTWGQ-LBPRGKRZSA-N 0 3 368.393 2.322 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000414960748 559197470 /nfs/dbraw/zinc/19/74/70/559197470.db2.gz YJEOKURKLWTWGQ-GFCCVEGCSA-N 0 3 368.393 2.322 20 5 FEBDHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccc([N+](=O)[O-])cc1 ZINC000415254588 559218809 /nfs/dbraw/zinc/21/88/09/559218809.db2.gz KYNSXTABYXCLAY-LBPRGKRZSA-N 0 3 368.393 2.056 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000415586002 559252822 /nfs/dbraw/zinc/25/28/22/559252822.db2.gz CIFYNTBYYPZUQL-UHFFFAOYSA-N 0 3 370.409 2.083 20 5 FEBDHN O=C(Nc1ccc2c(c1)CNC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000416005561 559288734 /nfs/dbraw/zinc/28/87/34/559288734.db2.gz IQPTYSNDWXHRGT-UHFFFAOYSA-N 0 3 354.366 2.493 20 5 FEBDHN CN(C)C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000416305400 559304587 /nfs/dbraw/zinc/30/45/87/559304587.db2.gz XGGHOIAYSIGANO-UHFFFAOYSA-N 0 3 361.320 2.360 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c(C)cc1[N+](=O)[O-] ZINC000416470160 559315571 /nfs/dbraw/zinc/31/55/71/559315571.db2.gz GBDXQFUZAUFNKB-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562445 559322108 /nfs/dbraw/zinc/32/21/08/559322108.db2.gz OKHREXQKBBRFFL-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562445 559322109 /nfs/dbraw/zinc/32/21/09/559322109.db2.gz OKHREXQKBBRFFL-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569389 559322401 /nfs/dbraw/zinc/32/24/01/559322401.db2.gz YAZUILZJNZGODY-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1NCCc2ccccc21 ZINC000417764015 559375593 /nfs/dbraw/zinc/37/55/93/559375593.db2.gz LJXGJNJVANBWRJ-QGZVFWFLSA-N 0 3 354.410 2.324 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1ccccc1 ZINC000420409759 559486283 /nfs/dbraw/zinc/48/62/83/559486283.db2.gz QTQCGPPALNVSMC-KRWDZBQOSA-N 0 3 370.409 2.188 20 5 FEBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836438 559642000 /nfs/dbraw/zinc/64/20/00/559642000.db2.gz FUKIFTVZPJAOJX-CJNGLKHVSA-N 0 3 355.822 2.397 20 5 FEBDHN CN(CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000527310337 562284784 /nfs/dbraw/zinc/28/47/84/562284784.db2.gz YSUKDNKJXNRTJY-UHFFFAOYSA-N 0 3 356.382 2.106 20 5 FEBDHN CCOCCOC[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064737 559870944 /nfs/dbraw/zinc/87/09/44/559870944.db2.gz CGWFGDQWERKLLT-RHSMWYFYSA-N 0 3 352.431 2.321 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@]3(O)CCO[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206099 559873654 /nfs/dbraw/zinc/87/36/54/559873654.db2.gz GMVWKRGOLYEFEH-KZULUSFZSA-N 0 3 362.382 2.493 20 5 FEBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434493777 559901597 /nfs/dbraw/zinc/90/15/97/559901597.db2.gz VSGFUJHBCSPSBS-ZDUSSCGKSA-N 0 3 364.475 2.047 20 5 FEBDHN COc1cccc(C(=O)Nc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000436026150 559933846 /nfs/dbraw/zinc/93/38/46/559933846.db2.gz NVKHWEXWXBVYSG-UHFFFAOYSA-N 0 3 360.370 2.191 20 5 FEBDHN Cc1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000440509749 560013001 /nfs/dbraw/zinc/01/30/01/560013001.db2.gz JJLYNWSNLNPJDR-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN CCOC1CC(CNCc2ccc([N+](=O)[O-])cc2F)(N2CCOCC2)C1 ZINC000444012829 560099163 /nfs/dbraw/zinc/09/91/63/560099163.db2.gz MFQGRRDWUYEGPL-UHFFFAOYSA-N 0 3 367.421 2.093 20 5 FEBDHN CN(C)C1(CN(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCC1 ZINC000445668220 560133772 /nfs/dbraw/zinc/13/37/72/560133772.db2.gz XLPAUQKUFZBJLK-UHFFFAOYSA-N 0 3 371.441 2.480 20 5 FEBDHN CCC[C@]1(CO)CCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000446896539 560153190 /nfs/dbraw/zinc/15/31/90/560153190.db2.gz OHJXJMXNJCNKNU-GOSISDBHSA-N 0 3 366.414 2.274 20 5 FEBDHN CN(C)CCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000446899177 560153236 /nfs/dbraw/zinc/15/32/36/560153236.db2.gz QBSJLCYLMPHWLL-UHFFFAOYSA-N 0 3 374.445 2.487 20 5 FEBDHN COc1cccc(C2(NCCn3ccc([N+](=O)[O-])n3)CCOCC2)c1F ZINC000447374976 560160898 /nfs/dbraw/zinc/16/08/98/560160898.db2.gz PFKJIZVHNUFZDV-UHFFFAOYSA-N 0 3 364.377 2.235 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448712258 560195915 /nfs/dbraw/zinc/19/59/15/560195915.db2.gz XXMCYFAZLYYTRT-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2scnc2C)cc1[N+](=O)[O-] ZINC000449466904 560231269 /nfs/dbraw/zinc/23/12/69/560231269.db2.gz JINXULJHVKDEDF-UHFFFAOYSA-N 0 3 365.411 2.244 20 5 FEBDHN COc1cc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508780 560232315 /nfs/dbraw/zinc/23/23/15/560232315.db2.gz NRFGAQKMLHKAQP-RDTXWAMCSA-N 0 3 350.415 2.499 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CN1C1CC1 ZINC000450071310 560249944 /nfs/dbraw/zinc/24/99/44/560249944.db2.gz BBRQMQCOHBILMT-JSGCOSHPSA-N 0 3 355.398 2.136 20 5 FEBDHN Cc1cc(N[C@H]2CCCN(CCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450612719 560268033 /nfs/dbraw/zinc/26/80/33/560268033.db2.gz KQSGFSILWFRGGC-INIZCTEOSA-N 0 3 371.441 2.041 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450806769 560273994 /nfs/dbraw/zinc/27/39/94/560273994.db2.gz FUMBRTDIQXUPRO-CQSZACIVSA-N 0 3 369.425 2.047 20 5 FEBDHN CN(C)S(=O)(=O)CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546734 560313913 /nfs/dbraw/zinc/31/39/13/560313913.db2.gz JNFNMYFRPWDUER-OAHLLOKOSA-N 0 3 355.460 2.056 20 5 FEBDHN CC[C@H](C)N1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000451850254 560332263 /nfs/dbraw/zinc/33/22/63/560332263.db2.gz WVSCGUHBHQRBNS-AWEZNQCLSA-N 0 3 362.430 2.309 20 5 FEBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452010744 560345342 /nfs/dbraw/zinc/34/53/42/560345342.db2.gz FKRPXVSOJPQTHD-DJSGYFEHSA-N 0 3 351.403 2.478 20 5 FEBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452015578 560345546 /nfs/dbraw/zinc/34/55/46/560345546.db2.gz MLZVUNDCZLCRDS-AXAPSJFSSA-N 0 3 351.403 2.478 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453258001 560384832 /nfs/dbraw/zinc/38/48/32/560384832.db2.gz HLAZRFJHONBKCV-HOCLYGCPSA-N 0 3 351.447 2.491 20 5 FEBDHN CNc1nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455946464 560501549 /nfs/dbraw/zinc/50/15/49/560501549.db2.gz VQPVKKZUGUOUQJ-OAHLLOKOSA-N 0 3 369.425 2.378 20 5 FEBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457381260 560564443 /nfs/dbraw/zinc/56/44/43/560564443.db2.gz QMZZPSDPULJUPJ-AWEZNQCLSA-N 0 3 360.418 2.233 20 5 FEBDHN CC[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514627 560628703 /nfs/dbraw/zinc/62/87/03/560628703.db2.gz RDSLLUHZOHEBQD-SJORKVTESA-N 0 3 364.446 2.192 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000469163370 560948849 /nfs/dbraw/zinc/94/88/49/560948849.db2.gz IEHCNACNZXFLCH-QWHCGFSZSA-N 0 3 371.459 2.097 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@](C)(OC)C1 ZINC000470912744 560993873 /nfs/dbraw/zinc/99/38/73/560993873.db2.gz IWJPRNDKIJHVQJ-QGZVFWFLSA-N 0 3 351.403 2.433 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NC1CCN(C2CC2)CC1 ZINC000471899803 561014027 /nfs/dbraw/zinc/01/40/27/561014027.db2.gz YLOZFHCXYLXYHR-UHFFFAOYSA-N 0 3 370.409 2.265 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004447 561063366 /nfs/dbraw/zinc/06/33/66/561063366.db2.gz GOXZYOVEDAHONN-LQAWEQHXSA-N 0 3 366.414 2.296 20 5 FEBDHN COC(=O)COc1ccc(CNCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000474005524 561063405 /nfs/dbraw/zinc/06/34/05/561063405.db2.gz AOXAAHTZYKRXKK-AWEZNQCLSA-N 0 3 352.387 2.195 20 5 FEBDHN COC(=O)COc1ccc(CN(C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000475698581 561102592 /nfs/dbraw/zinc/10/25/92/561102592.db2.gz JCFYBQWWMNOPAO-UHFFFAOYSA-N 0 3 352.387 2.005 20 5 FEBDHN CC1CCN(C[C@H](O)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000476318258 561116423 /nfs/dbraw/zinc/11/64/23/561116423.db2.gz AIARPOOBAUNRLU-OAHLLOKOSA-N 0 3 363.458 2.081 20 5 FEBDHN CN1CCN(CCCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000531881949 562459921 /nfs/dbraw/zinc/45/99/21/562459921.db2.gz PJSJTUQXKNDYLV-UHFFFAOYSA-N 0 3 372.267 2.192 20 5 FEBDHN C[C@@H]1CCCCN1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165060 562469353 /nfs/dbraw/zinc/46/93/53/562469353.db2.gz QEGOCJPBLBWKBR-CYBMUJFWSA-N 0 3 370.475 2.131 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533498593 562510886 /nfs/dbraw/zinc/51/08/86/562510886.db2.gz XMFQRTFOGJCVEU-ZDUSSCGKSA-N 0 3 370.475 2.165 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000535015520 562547934 /nfs/dbraw/zinc/54/79/34/562547934.db2.gz UMMAVIJZNHGGHX-CYBMUJFWSA-N 0 3 367.471 2.405 20 5 FEBDHN CC(C)(C)NS(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000536834914 562581258 /nfs/dbraw/zinc/58/12/58/562581258.db2.gz SQUFVXBQKNCISB-HNNXBMFYSA-N 0 3 369.487 2.223 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2COc3ccccc32)cc1 ZINC000569214566 568312614 /nfs/dbraw/zinc/31/26/14/568312614.db2.gz PGKMRYBVNRBVBJ-ZDUSSCGKSA-N 0 3 362.407 2.134 20 5 FEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000569514447 568404538 /nfs/dbraw/zinc/40/45/38/568404538.db2.gz DCDXLQKWSCOWQS-CZUORRHYSA-N 0 3 364.421 2.101 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925375 674428102 /nfs/dbraw/zinc/42/81/02/674428102.db2.gz RSQCPRCMSGNCFH-RDJZCZTQSA-N 0 3 367.471 2.376 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370190 599534361 /nfs/dbraw/zinc/53/43/61/599534361.db2.gz NUNLCTYFUNXVPZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370190 599534363 /nfs/dbraw/zinc/53/43/63/599534363.db2.gz NUNLCTYFUNXVPZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370190 599534366 /nfs/dbraw/zinc/53/43/66/599534366.db2.gz NUNLCTYFUNXVPZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370190 599534370 /nfs/dbraw/zinc/53/43/70/599534370.db2.gz NUNLCTYFUNXVPZ-UHFFFAOYSA-N 0 3 357.418 2.230 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000561552444 674678847 /nfs/dbraw/zinc/67/88/47/674678847.db2.gz QPYLMNSDTMWGDE-XJKSGUPXSA-N 0 3 367.471 2.405 20 5 FEBDHN CC(COC(=O)c1cc(I)ccc1F)[N+](=O)[O-] ZINC000813104353 674719597 /nfs/dbraw/zinc/71/95/97/674719597.db2.gz YVKUYNIJPOVVEK-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813103164 674719443 /nfs/dbraw/zinc/71/94/43/674719443.db2.gz YOJQTQPDACMQBA-KWCYVHTRSA-N 0 3 356.419 2.478 20 5 FEBDHN CC(COC(=O)c1occc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813106903 674720514 /nfs/dbraw/zinc/72/05/14/674720514.db2.gz HNXVWGFLBIEQAI-NSHDSACASA-N 0 3 353.352 2.076 20 5 FEBDHN CC(COC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)[N+](=O)[O-] ZINC000813109475 674720588 /nfs/dbraw/zinc/72/05/88/674720588.db2.gz UFOVDUVYTRHOGK-NSHDSACASA-N 0 3 350.758 2.372 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000563436872 674888036 /nfs/dbraw/zinc/88/80/36/674888036.db2.gz RRBNOLDZHXTXPQ-OAHLLOKOSA-N 0 3 369.487 2.177 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000814987836 674893249 /nfs/dbraw/zinc/89/32/49/674893249.db2.gz FYXUOQDQNQGJIQ-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000574328098 671227405 /nfs/dbraw/zinc/22/74/05/671227405.db2.gz SHXRRAHKAHCWFS-CHWSQXEVSA-N 0 3 371.459 2.097 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cc(F)ccc2F)cc1 ZINC000581543437 671909231 /nfs/dbraw/zinc/90/92/31/671909231.db2.gz GJVBOZLONVEWKW-UHFFFAOYSA-N 0 3 370.377 2.479 20 5 FEBDHN CSc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(C)C)cc1 ZINC000583586624 672109337 /nfs/dbraw/zinc/10/93/37/672109337.db2.gz BICKAVCFEXDWLH-CYBMUJFWSA-N 0 3 363.443 2.083 20 5 FEBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768227 673135849 /nfs/dbraw/zinc/13/58/49/673135849.db2.gz VDZVPIUMUGCBNA-UHFFFAOYSA-N 0 3 370.475 2.265 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000594854464 673164885 /nfs/dbraw/zinc/16/48/85/673164885.db2.gz LMCIEEKJRDMSCU-CYBMUJFWSA-N 0 3 353.444 2.280 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594982956 673183025 /nfs/dbraw/zinc/18/30/25/673183025.db2.gz DGFFIQIUTQENNE-GXTWGEPZSA-N 0 3 352.387 2.194 20 5 FEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595500850 673258462 /nfs/dbraw/zinc/25/84/62/673258462.db2.gz MMFNXPAPVOZTKB-AWEZNQCLSA-N 0 3 350.419 2.146 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000462584264 673265895 /nfs/dbraw/zinc/26/58/95/673265895.db2.gz ZUMFFSFDCJRWGX-OAHLLOKOSA-N 0 3 367.471 2.446 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596157867 673363987 /nfs/dbraw/zinc/36/39/87/673363987.db2.gz IKKNCKTXIQAVSF-ZDUSSCGKSA-N 0 3 353.854 2.248 20 5 FEBDHN C[C@H](O)C1(NCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000597234432 673458950 /nfs/dbraw/zinc/45/89/50/673458950.db2.gz LISRJUPHSQCECS-QMMMGPOBSA-N 0 3 362.167 2.202 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598613001 673590510 /nfs/dbraw/zinc/59/05/10/673590510.db2.gz UPXWQWAFQGJKCP-OCCSQVGLSA-N 0 3 355.460 2.172 20 5 FEBDHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599108265 673634027 /nfs/dbraw/zinc/63/40/27/673634027.db2.gz VCFRQCAMQMXSQB-WDEREUQCSA-N 0 3 367.349 2.032 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000546093758 673791730 /nfs/dbraw/zinc/79/17/30/673791730.db2.gz ZWYMKUJUPDOZTR-KGLIPLIRSA-N 0 3 355.460 2.277 20 5 FEBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000601131645 673827677 /nfs/dbraw/zinc/82/76/77/673827677.db2.gz OFFYVGAYIFCXHC-SNVBAGLBSA-N 0 3 363.340 2.012 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601374105 673850806 /nfs/dbraw/zinc/85/08/06/673850806.db2.gz ALDZRYBPFOUKAD-RYUDHWBXSA-N 0 3 359.473 2.070 20 5 FEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C2CCOCC2)c1Br ZINC000839554217 680761114 /nfs/dbraw/zinc/76/11/14/680761114.db2.gz ZPZBFBOAVWCOBN-LBPRGKRZSA-N 0 3 359.220 2.234 20 5 FEBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849850 680857399 /nfs/dbraw/zinc/85/73/99/680857399.db2.gz RSNPDAHEMAPVQM-SJCJKPOMSA-N 0 3 364.423 2.383 20 5 FEBDHN CC([C@@H](OC(=O)c1coc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880691 681159093 /nfs/dbraw/zinc/15/90/93/681159093.db2.gz JERXQDPBZQVFFB-LKFCYVNXSA-N 0 3 371.342 2.386 20 5 FEBDHN CC([C@@H](OC(=O)COCc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884392 681159549 /nfs/dbraw/zinc/15/95/49/681159549.db2.gz YVOWFLGGCOZJPR-BDJLRTHQSA-N 0 3 351.334 2.026 20 5 FEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000846986670 681317268 /nfs/dbraw/zinc/31/72/68/681317268.db2.gz CKLSDQAGAAGQDL-GFCCVEGCSA-N 0 3 352.410 2.356 20 5 FEBDHN COC1CCN(CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000934303488 681548428 /nfs/dbraw/zinc/54/84/28/681548428.db2.gz DMQDYQDBJPKDIM-UHFFFAOYSA-N 0 3 369.849 2.408 20 5 FEBDHN CC([C@H](OC(=O)c1nnn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000851108908 682017403 /nfs/dbraw/zinc/01/74/03/682017403.db2.gz RTWYCYKLSULYRY-CABZTGNLSA-N 0 3 351.338 2.131 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000918359785 685538773 /nfs/dbraw/zinc/53/87/73/685538773.db2.gz JPOHBARGTFOTCY-HOTGVXAUSA-N 0 3 371.434 2.005 20 5 FEBDHN O=[N+]([O-])c1ccc(NC(=S)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000853029548 682365713 /nfs/dbraw/zinc/36/57/13/682365713.db2.gz LUEQJEVXVNGIBF-OAHLLOKOSA-N 0 3 350.444 2.135 20 5 FEBDHN C[C@H]1[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928456114 683455435 /nfs/dbraw/zinc/45/54/35/683455435.db2.gz NTEWBRURSPVMHZ-JOYOIKCWSA-N 0 3 361.320 2.358 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861891320 683494441 /nfs/dbraw/zinc/49/44/41/683494441.db2.gz XVLDOSRFZKBSAQ-UHFFFAOYSA-N 0 3 350.375 2.368 20 5 FEBDHN C[C@H]1COC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643426 683760146 /nfs/dbraw/zinc/76/01/46/683760146.db2.gz YDQHAYNXICRMGR-UFBFGSQYSA-N 0 3 362.167 2.324 20 5 FEBDHN COc1cc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000922707906 683770153 /nfs/dbraw/zinc/77/01/53/683770153.db2.gz FWYFPJLZIXXGCY-LLVKDONJSA-N 0 3 363.336 2.425 20 5 FEBDHN COCCN1CCC(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000930714671 683774843 /nfs/dbraw/zinc/77/48/43/683774843.db2.gz JODWVYXAHRNHQK-UHFFFAOYSA-N 0 3 369.849 2.408 20 5 FEBDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930844183 683792098 /nfs/dbraw/zinc/79/20/98/683792098.db2.gz BQUZTIZVDOJEAE-RRFJBIMHSA-N 0 3 357.451 2.047 20 5 FEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000866295432 684090002 /nfs/dbraw/zinc/09/00/02/684090002.db2.gz BSODXSUVSPEUNB-JOYOIKCWSA-N 0 3 363.311 2.418 20 5 FEBDHN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000879406087 686816061 /nfs/dbraw/zinc/81/60/61/686816061.db2.gz LNWUESIWNWVSFD-HNNXBMFYSA-N 0 3 356.444 2.306 20 5 FEBDHN CN1CCC[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883178186 687582556 /nfs/dbraw/zinc/58/25/56/687582556.db2.gz QORPSMNIXUDGPB-LBPRGKRZSA-N 0 3 371.235 2.251 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478776 687643356 /nfs/dbraw/zinc/64/33/56/687643356.db2.gz ZBMCGMFGVQVDNC-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)n1 ZINC000894080210 689462307 /nfs/dbraw/zinc/46/23/07/689462307.db2.gz VSVXIYLJWJTQFR-ZIAGYGMSSA-N 0 3 354.382 2.062 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CCC4(C[C@@H]3F)OCCO4)CC2)n1 ZINC000894080207 689462329 /nfs/dbraw/zinc/46/23/29/689462329.db2.gz VSVXIYLJWJTQFR-KBPBESRZSA-N 0 3 354.382 2.062 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)n1 ZINC000894080209 689462362 /nfs/dbraw/zinc/46/23/62/689462362.db2.gz VSVXIYLJWJTQFR-UONOGXRCSA-N 0 3 354.382 2.062 20 5 FEBDHN O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897219618 689989465 /nfs/dbraw/zinc/98/94/65/689989465.db2.gz MBASHQUWWORNJT-CHWSQXEVSA-N 0 3 370.247 2.393 20 5 FEBDHN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220389 689990213 /nfs/dbraw/zinc/99/02/13/689990213.db2.gz AHYOLOKMHZEZCQ-CHWSQXEVSA-N 0 3 370.247 2.393 20 5 FEBDHN CN(C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027582299 539811413 /nfs/dbraw/zinc/81/14/13/539811413.db2.gz AOVZRBIKOKUEIB-MRXNPFEDSA-N 0 3 357.410 2.263 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053515198 540541177 /nfs/dbraw/zinc/54/11/77/540541177.db2.gz UUGXIIHQVJOUPJ-CQSZACIVSA-N 0 3 371.441 2.457 20 5 FEBDHN COc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000053993247 540563951 /nfs/dbraw/zinc/56/39/51/540563951.db2.gz LELOJMILNANFJT-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COc1cc(C(=O)NCCN(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000054281639 540579997 /nfs/dbraw/zinc/57/99/97/540579997.db2.gz FITKVBQTSYGWLK-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055406609 540651980 /nfs/dbraw/zinc/65/19/80/540651980.db2.gz ONTPMBPCDFHKOL-QWHCGFSZSA-N 0 3 365.430 2.462 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000060318552 540871051 /nfs/dbraw/zinc/87/10/51/540871051.db2.gz RHMLPVISPVYVOA-KRWDZBQOSA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065601999 541248093 /nfs/dbraw/zinc/24/80/93/541248093.db2.gz KLIVQXIRWFPWTA-AWEZNQCLSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000065841390 541265248 /nfs/dbraw/zinc/26/52/48/541265248.db2.gz CSNNITVYPSGWGN-INIZCTEOSA-N 0 3 357.414 2.053 20 5 FEBDHN CCN1CCN(C(=O)CC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000066568243 541337434 /nfs/dbraw/zinc/33/74/34/541337434.db2.gz CAEHYYMYUAUPAA-UHFFFAOYSA-N 0 3 374.485 2.361 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069074838 541654644 /nfs/dbraw/zinc/65/46/44/541654644.db2.gz ZKYMNYDILKULBT-CQSZACIVSA-N 0 3 350.419 2.005 20 5 FEBDHN O=C(CN1CCC[C@H]1CN1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069076571 541654667 /nfs/dbraw/zinc/65/46/67/541654667.db2.gz LBNLDFFKXGQNCE-SFHVURJKSA-N 0 3 372.469 2.434 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000070830302 541746185 /nfs/dbraw/zinc/74/61/85/541746185.db2.gz IEHNRYMJAOWTKI-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000055281496 205213182 /nfs/dbraw/zinc/21/31/82/205213182.db2.gz FWAITHSDVGNQKR-CYBMUJFWSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1ccc(C)c(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000075647287 542196295 /nfs/dbraw/zinc/19/62/95/542196295.db2.gz AXGLOPNTDPQMHO-QGZVFWFLSA-N 0 3 374.441 2.312 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000076408245 542275521 /nfs/dbraw/zinc/27/55/21/542275521.db2.gz ATUWWGUHSOSBHT-VXGBXAGGSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000076408245 542275525 /nfs/dbraw/zinc/27/55/25/542275525.db2.gz ATUWWGUHSOSBHT-VXGBXAGGSA-N 0 3 359.835 2.153 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000087357097 542745014 /nfs/dbraw/zinc/74/50/14/542745014.db2.gz JPIWIMLCUZAFOL-GOSISDBHSA-N 0 3 374.485 2.013 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108406245 543289415 /nfs/dbraw/zinc/28/94/15/543289415.db2.gz JHNVHDOOGKHXHL-NSHDSACASA-N 0 3 361.851 2.177 20 5 FEBDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000112852326 543465308 /nfs/dbraw/zinc/46/53/08/543465308.db2.gz KGVADHMQVPDBQZ-CABCVRRESA-N 0 3 374.441 2.175 20 5 FEBDHN C[C@H]1CN2CCC[C@@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000113248535 543479203 /nfs/dbraw/zinc/47/92/03/543479203.db2.gz NNPMWHKZCYEKEP-DZGCQCFKSA-N 0 3 369.425 2.232 20 5 FEBDHN COCCN(C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113333532 543484474 /nfs/dbraw/zinc/48/44/74/543484474.db2.gz NZBVPDNVRCKLOW-UHFFFAOYSA-N 0 3 350.444 2.386 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114378858 543511736 /nfs/dbraw/zinc/51/17/36/543511736.db2.gz LTNMLYOINJQNSI-UHFFFAOYSA-N 0 3 368.865 2.396 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc([N+](=O)[O-])c1 ZINC000114140508 543504902 /nfs/dbraw/zinc/50/49/02/543504902.db2.gz NCOZGVSQRDFEPK-OAHLLOKOSA-N 0 3 351.403 2.088 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000119565828 543669163 /nfs/dbraw/zinc/66/91/63/543669163.db2.gz UOVQOFBLUYUZCB-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1COc2ccccc2O1 ZINC000131155862 544178623 /nfs/dbraw/zinc/17/86/23/544178623.db2.gz WPMHYKCZFAXZBE-INIZCTEOSA-N 0 3 373.409 2.309 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000132811216 544244347 /nfs/dbraw/zinc/24/43/47/544244347.db2.gz VSBSIZNXYGLFMQ-KRWDZBQOSA-N 0 3 374.445 2.174 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132273446 544225164 /nfs/dbraw/zinc/22/51/64/544225164.db2.gz URUODEQLOLFBLO-RDJZCZTQSA-N 0 3 371.441 2.303 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135541983 544351887 /nfs/dbraw/zinc/35/18/87/544351887.db2.gz OHNZEUFGSRGFFJ-MRXNPFEDSA-N 0 3 369.425 2.378 20 5 FEBDHN CN(c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000137157898 544386132 /nfs/dbraw/zinc/38/61/32/544386132.db2.gz OVZIXPKAKAYMQZ-UHFFFAOYSA-N 0 3 358.402 2.101 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000152571623 544669280 /nfs/dbraw/zinc/66/92/80/544669280.db2.gz QQCRABCUBYMKJO-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000153227106 544748716 /nfs/dbraw/zinc/74/87/16/544748716.db2.gz BTKVRZHIOZYGJA-UHFFFAOYSA-N 0 3 372.469 2.302 20 5 FEBDHN Cc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000153759056 544819612 /nfs/dbraw/zinc/81/96/12/544819612.db2.gz VTAXWSZCELEAPM-HNNXBMFYSA-N 0 3 350.419 2.478 20 5 FEBDHN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064111 327759268 /nfs/dbraw/zinc/75/92/68/327759268.db2.gz HDQPMJDLCMVUGR-MLGOLLRUSA-N 0 3 362.430 2.336 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@@H](C)CN2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000185440221 327916579 /nfs/dbraw/zinc/91/65/79/327916579.db2.gz ACAXRMYHNNERAJ-ZDUSSCGKSA-N 0 3 363.414 2.376 20 5 FEBDHN CC[C@@]1(CO)CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187609788 328035778 /nfs/dbraw/zinc/03/57/78/328035778.db2.gz YWNOKBTWZBSGGT-GOSISDBHSA-N 0 3 365.430 2.417 20 5 FEBDHN Cc1c(C(=O)NCc2ccc3c(c2)CNC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000188735629 328107520 /nfs/dbraw/zinc/10/75/20/328107520.db2.gz HOOFTMLFEQYYPL-UHFFFAOYSA-N 0 3 356.338 2.345 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000189867454 328172343 /nfs/dbraw/zinc/17/23/43/328172343.db2.gz BMWPHSQQMHWLHI-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000191406352 328264163 /nfs/dbraw/zinc/26/41/63/328264163.db2.gz SMNHOPFGSDWLOH-ZDUSSCGKSA-N 0 3 363.462 2.217 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191829743 328283799 /nfs/dbraw/zinc/28/37/99/328283799.db2.gz UUWLIFXJTDZYNH-HIFRSBDPSA-N 0 3 363.414 2.363 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000192054416 328297258 /nfs/dbraw/zinc/29/72/58/328297258.db2.gz ZWYSJLWFCFYQME-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000078827455 325064680 /nfs/dbraw/zinc/06/46/80/325064680.db2.gz FDVNYUUFZKXTPH-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1cc(F)ccc1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237628501 328522930 /nfs/dbraw/zinc/52/29/30/328522930.db2.gz GZAYFPORXAKNFX-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN Cc1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457573 325254858 /nfs/dbraw/zinc/25/48/58/325254858.db2.gz IFUVLQLDOSZHDW-KBPBESRZSA-N 0 3 364.446 2.105 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000120679849 326278078 /nfs/dbraw/zinc/27/80/78/326278078.db2.gz GDNDYMGDWZEINT-JQWIXIFHSA-N 0 3 368.821 2.128 20 5 FEBDHN CSC[C@](C)(O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120680557 326278315 /nfs/dbraw/zinc/27/83/15/326278315.db2.gz QDVIHQKPNKTCDR-MRXNPFEDSA-N 0 3 350.444 2.199 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000120701910 326280228 /nfs/dbraw/zinc/28/02/28/326280228.db2.gz OUICLGADOPXIOJ-GXTWGEPZSA-N 0 3 365.430 2.414 20 5 FEBDHN CCOc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120701361 326280320 /nfs/dbraw/zinc/28/03/20/326280320.db2.gz KYOOBARLLNHGKB-JSGCOSHPSA-N 0 3 365.430 2.414 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121093111 326312549 /nfs/dbraw/zinc/31/25/49/326312549.db2.gz SWBONAYOYNASSM-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000121361276 326332899 /nfs/dbraw/zinc/33/28/99/326332899.db2.gz PBGUBUDATSSJBS-CQSZACIVSA-N 0 3 374.441 2.283 20 5 FEBDHN CCc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)N(C)C)cc1 ZINC000128554535 326525934 /nfs/dbraw/zinc/52/59/34/326525934.db2.gz RCLXTNNEGWXWSL-HNNXBMFYSA-N 0 3 359.430 2.232 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151644216 326687632 /nfs/dbraw/zinc/68/76/32/326687632.db2.gz QCEBGAJNAOMZTO-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CN1CCCCC1 ZINC000152002914 326696685 /nfs/dbraw/zinc/69/66/85/326696685.db2.gz SVICMKBHBMZUPK-CQSZACIVSA-N 0 3 355.460 2.136 20 5 FEBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000153419245 326732460 /nfs/dbraw/zinc/73/24/60/326732460.db2.gz UKDAYYJJKAGFAD-IBGZPJMESA-N 0 3 372.425 2.381 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(C3CCOCC3)CC2)c1 ZINC000153589751 326737014 /nfs/dbraw/zinc/73/70/14/326737014.db2.gz RHIABSIYAZQSJA-SFHVURJKSA-N 0 3 364.442 2.473 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl ZINC000161665923 327005479 /nfs/dbraw/zinc/00/54/79/327005479.db2.gz BBHCKKPNXMZWNA-UHFFFAOYSA-N 0 3 353.766 2.164 20 5 FEBDHN CSCC[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977939 327013959 /nfs/dbraw/zinc/01/39/59/327013959.db2.gz WPVDRHUBRLBRMI-OAHLLOKOSA-N 0 3 353.444 2.045 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1OC ZINC000171445872 327139926 /nfs/dbraw/zinc/13/99/26/327139926.db2.gz VUUYNLUCINPDDF-CYBMUJFWSA-N 0 3 363.414 2.312 20 5 FEBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000171453461 327140342 /nfs/dbraw/zinc/14/03/42/327140342.db2.gz VHVAFDDQQHIWHN-MRXNPFEDSA-N 0 3 355.398 2.091 20 5 FEBDHN Cc1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000172018123 327176380 /nfs/dbraw/zinc/17/63/80/327176380.db2.gz OYICNGDLGJXABR-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000172208079 327187228 /nfs/dbraw/zinc/18/72/28/327187228.db2.gz UZAKYAXGIKEXPK-CQSZACIVSA-N 0 3 357.414 2.275 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173666567 327275093 /nfs/dbraw/zinc/27/50/93/327275093.db2.gz UGEWDTJAHWJUJW-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000173865667 327289930 /nfs/dbraw/zinc/28/99/30/327289930.db2.gz DZVWFSIMLZPGIG-HNNXBMFYSA-N 0 3 367.471 2.446 20 5 FEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732974 327346736 /nfs/dbraw/zinc/34/67/36/327346736.db2.gz RLQANRYEYCVARS-MFKMUULPSA-N 0 3 356.329 2.104 20 5 FEBDHN CNC(=O)CC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000175027497 327368985 /nfs/dbraw/zinc/36/89/85/327368985.db2.gz CPBJPCZDZPZVEK-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN CNC(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000175042206 327370401 /nfs/dbraw/zinc/37/04/01/327370401.db2.gz JDIFGMXPZNKRBG-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000175392949 327390637 /nfs/dbraw/zinc/39/06/37/327390637.db2.gz YRTXICSFLNJIKC-UHFFFAOYSA-N 0 3 353.444 2.047 20 5 FEBDHN CC[C@@H](NC(=O)NCC1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176184666 327439063 /nfs/dbraw/zinc/43/90/63/327439063.db2.gz JNQGZILGNICXRZ-QGZVFWFLSA-N 0 3 364.446 2.049 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)cc1 ZINC000176940155 327486250 /nfs/dbraw/zinc/48/62/50/327486250.db2.gz MDZATSXESHSFMQ-UHFFFAOYSA-N 0 3 353.444 2.280 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC2CCN(C)CC2)c1C ZINC000264165226 328996226 /nfs/dbraw/zinc/99/62/26/328996226.db2.gz UHFFHOYYSKNLSZ-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875060 329069935 /nfs/dbraw/zinc/06/99/35/329069935.db2.gz PPSPXIYMBCGXAB-WDEREUQCSA-N 0 3 351.794 2.450 20 5 FEBDHN COC1CCC(N(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000265181888 329099627 /nfs/dbraw/zinc/09/96/27/329099627.db2.gz DXRPOGGJVDGIPI-UHFFFAOYSA-N 0 3 365.386 2.151 20 5 FEBDHN CN(C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265928757 329173546 /nfs/dbraw/zinc/17/35/46/329173546.db2.gz ONAWCIGKQHGILB-UHFFFAOYSA-N 0 3 353.422 2.353 20 5 FEBDHN CN(C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000266026084 329182991 /nfs/dbraw/zinc/18/29/91/329182991.db2.gz MPFLEXPAYATQDT-UHFFFAOYSA-N 0 3 353.422 2.353 20 5 FEBDHN CN(CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000266796134 329260731 /nfs/dbraw/zinc/26/07/31/329260731.db2.gz IGEMLZMLNROJTG-UHFFFAOYSA-N 0 3 362.430 2.242 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267084779 329290290 /nfs/dbraw/zinc/29/02/90/329290290.db2.gz STYIKHKIADHMCQ-UHFFFAOYSA-N 0 3 364.446 2.283 20 5 FEBDHN CCC[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031761 329479291 /nfs/dbraw/zinc/47/92/91/329479291.db2.gz RXQPKTCQQIPZEA-GOEBONIOSA-N 0 3 355.460 2.450 20 5 FEBDHN COc1ccc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000273630367 329880216 /nfs/dbraw/zinc/88/02/16/329880216.db2.gz QEXUPSCNYRHBHY-GXTWGEPZSA-N 0 3 354.432 2.113 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000275822129 330093174 /nfs/dbraw/zinc/09/31/74/330093174.db2.gz WZWDVHQVDGHGGK-HNNXBMFYSA-N 0 3 354.432 2.162 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261623438 518189901 /nfs/dbraw/zinc/18/99/01/518189901.db2.gz CEPHKEFPHBLFLV-JKSUJKDBSA-N 0 3 361.423 2.019 20 5 FEBDHN CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399903 561189026 /nfs/dbraw/zinc/18/90/26/561189026.db2.gz YCOPKDAZTDJVMX-GJZGRUSLSA-N 0 3 367.471 2.455 20 5 FEBDHN CN(C)[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC1 ZINC000480457577 561209609 /nfs/dbraw/zinc/20/96/09/561209609.db2.gz CAQAAEUXVRDQTK-INIZCTEOSA-N 0 3 357.414 2.311 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177095933 546543921 /nfs/dbraw/zinc/54/39/21/546543921.db2.gz KUSLEMWKRRGWPP-QWHCGFSZSA-N 0 3 355.398 2.136 20 5 FEBDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425763 561232632 /nfs/dbraw/zinc/23/26/32/561232632.db2.gz LOXZHQJGEMZMJQ-RBOXIYTFSA-N 0 3 368.821 2.171 20 5 FEBDHN Cc1c(CNC(=O)c2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000481478101 561233584 /nfs/dbraw/zinc/23/35/84/561233584.db2.gz JZYPQWYIKBBADZ-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000180498167 547118855 /nfs/dbraw/zinc/11/88/55/547118855.db2.gz VMNYDCGCRMHVBD-MRXNPFEDSA-N 0 3 355.398 2.139 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000180541871 547127139 /nfs/dbraw/zinc/12/71/39/547127139.db2.gz FXZNDFROLNPHNC-UHFFFAOYSA-N 0 3 361.446 2.300 20 5 FEBDHN NC(=O)C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000180966689 547220807 /nfs/dbraw/zinc/22/08/07/547220807.db2.gz WQAXEAYIKGPTAA-MRXNPFEDSA-N 0 3 363.414 2.375 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181257416 547281479 /nfs/dbraw/zinc/28/14/79/547281479.db2.gz HMKSVNQTEPHGTH-AWEZNQCLSA-N 0 3 366.368 2.490 20 5 FEBDHN Cn1ccnc1CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182237847 547459154 /nfs/dbraw/zinc/45/91/54/547459154.db2.gz HMYKNGMHPKHAAA-INIZCTEOSA-N 0 3 374.441 2.023 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000483727021 561282789 /nfs/dbraw/zinc/28/27/89/561282789.db2.gz NFHQUTCFCMZTPH-HZUKXOBISA-N 0 3 351.403 2.478 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000182429393 547491903 /nfs/dbraw/zinc/49/19/03/547491903.db2.gz QWPIXGVQNSCUTR-CZUORRHYSA-N 0 3 362.430 2.229 20 5 FEBDHN CCN(CC)CC(=O)N1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182746209 547545191 /nfs/dbraw/zinc/54/51/91/547545191.db2.gz XDYUUJRITHKEBE-INIZCTEOSA-N 0 3 362.474 2.450 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000484074540 561291000 /nfs/dbraw/zinc/29/10/00/561291000.db2.gz URGCPDTXBDASEJ-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183779421 547718376 /nfs/dbraw/zinc/71/83/76/547718376.db2.gz XAJCZWGBDXGEGM-SFHVURJKSA-N 0 3 355.394 2.091 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933737 547741349 /nfs/dbraw/zinc/74/13/49/547741349.db2.gz HAIXXJXUZXFXHS-GFCCVEGCSA-N 0 3 369.853 2.396 20 5 FEBDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184482944 547834887 /nfs/dbraw/zinc/83/48/87/547834887.db2.gz DDVLJOKMLDPCAW-OAHLLOKOSA-N 0 3 355.460 2.279 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000485122539 561313210 /nfs/dbraw/zinc/31/32/10/561313210.db2.gz WPNORNLUUMVJMR-UHFFFAOYSA-N 0 3 360.414 2.259 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000185979840 548068186 /nfs/dbraw/zinc/06/81/86/548068186.db2.gz UEOKFGGWHNJVHS-CXAGYDPISA-N 0 3 365.455 2.232 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186138177 548090583 /nfs/dbraw/zinc/09/05/83/548090583.db2.gz QYYPJUCYCHQGDG-KRWDZBQOSA-N 0 3 359.430 2.064 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)cc1SC ZINC000186757530 548186783 /nfs/dbraw/zinc/18/67/83/548186783.db2.gz OYVWYDVVGRZVOO-UHFFFAOYSA-N 0 3 353.444 2.492 20 5 FEBDHN CN(CCN(C)C1CC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000186762036 548187790 /nfs/dbraw/zinc/18/77/90/548187790.db2.gz APTRKRGOPUDCAN-UHFFFAOYSA-N 0 3 360.458 2.364 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000486400219 561346328 /nfs/dbraw/zinc/34/63/28/561346328.db2.gz VHJHIUGGYSAYRA-HNNXBMFYSA-N 0 3 369.425 2.378 20 5 FEBDHN Cc1nn(C)c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194101393 548435275 /nfs/dbraw/zinc/43/52/75/548435275.db2.gz WIDXEMMZFVCEJD-UHFFFAOYSA-N 0 3 371.441 2.074 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194741267 548524593 /nfs/dbraw/zinc/52/45/93/548524593.db2.gz DJQSBWQILFWKBD-CQSZACIVSA-N 0 3 357.414 2.132 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488057187 561382419 /nfs/dbraw/zinc/38/24/19/561382419.db2.gz VWZUXTRTONWVFL-QGZVFWFLSA-N 0 3 364.446 2.204 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246008339 549035825 /nfs/dbraw/zinc/03/58/25/549035825.db2.gz HQEVWEKIZTWOQC-QEORTHHSSA-N 0 3 365.430 2.280 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246115742 549055749 /nfs/dbraw/zinc/05/57/49/549055749.db2.gz IQGROOFXCAQVST-JSGCOSHPSA-N 0 3 355.460 2.254 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)[C@@H]2CCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000246198195 549075894 /nfs/dbraw/zinc/07/58/94/549075894.db2.gz NDFKZJGFDVVUBT-GXTWGEPZSA-N 0 3 350.419 2.333 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246215674 549080887 /nfs/dbraw/zinc/08/08/87/549080887.db2.gz POTRJMKWTZFGRQ-STQMWFEESA-N 0 3 373.862 2.496 20 5 FEBDHN CN(C)CCn1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000489675345 561416725 /nfs/dbraw/zinc/41/67/25/561416725.db2.gz FNJITGPZBHCDQM-UHFFFAOYSA-N 0 3 372.425 2.234 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250706847 549643643 /nfs/dbraw/zinc/64/36/43/549643643.db2.gz ZTYJAKLJENDVCX-TZMCWYRMSA-N 0 3 362.430 2.078 20 5 FEBDHN N[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261868336 549764039 /nfs/dbraw/zinc/76/40/39/549764039.db2.gz XBZVPQVDYWYTKI-JKSUJKDBSA-N 0 3 354.410 2.350 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000490543295 561435010 /nfs/dbraw/zinc/43/50/10/561435010.db2.gz ZWRUIRGJNZWKOG-GOSISDBHSA-N 0 3 357.414 2.113 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000492816957 561453027 /nfs/dbraw/zinc/45/30/27/561453027.db2.gz QYYAKDDMPJMVIT-PVUWLOKVSA-N 0 3 373.413 2.165 20 5 FEBDHN CCN1CCN(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000270966774 550326494 /nfs/dbraw/zinc/32/64/94/550326494.db2.gz SKAWYBMPTVVPEP-UHFFFAOYSA-N 0 3 360.458 2.113 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1N(C)C ZINC000271218365 550354516 /nfs/dbraw/zinc/35/45/16/550354516.db2.gz ZLAQWWLQGRCHRM-CVEARBPZSA-N 0 3 362.455 2.123 20 5 FEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1N(C)C ZINC000271584833 550387613 /nfs/dbraw/zinc/38/76/13/550387613.db2.gz FIIKBQDNGXIMPT-CABCVRRESA-N 0 3 366.443 2.033 20 5 FEBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521067 550455354 /nfs/dbraw/zinc/45/53/54/550455354.db2.gz PXHNNOONLFWLMO-STQMWFEESA-N 0 3 353.423 2.026 20 5 FEBDHN COc1ccc(OCCN2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 ZINC000273034357 550481721 /nfs/dbraw/zinc/48/17/21/550481721.db2.gz COUUBBKXGHGRIG-AWEZNQCLSA-N 0 3 366.414 2.457 20 5 FEBDHN COC(=O)C1CCN(CCCNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000274575625 550544716 /nfs/dbraw/zinc/54/47/16/550544716.db2.gz FRYZOIQDUUJXPL-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(C)CC1 ZINC000277670211 550699310 /nfs/dbraw/zinc/69/93/10/550699310.db2.gz HKTIILPEKGDFFA-CYBMUJFWSA-N 0 3 374.445 2.391 20 5 FEBDHN C[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754040 550710247 /nfs/dbraw/zinc/71/02/47/550710247.db2.gz RTRQPFSODYBJMU-HUUCEWRRSA-N 0 3 364.446 2.456 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270494 550871834 /nfs/dbraw/zinc/87/18/34/550871834.db2.gz NHLCZVWDMUUDTD-KFKAGJAMSA-N 0 3 371.437 2.421 20 5 FEBDHN Nc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000282112377 551182023 /nfs/dbraw/zinc/18/20/23/551182023.db2.gz AHQWXAQGZQXEOA-UHFFFAOYSA-N 0 3 356.430 2.196 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282313161 551210322 /nfs/dbraw/zinc/21/03/22/551210322.db2.gz RVZPXQWCSGJSKF-UHFFFAOYSA-N 0 3 363.462 2.359 20 5 FEBDHN CC1(C)C[C@H](NCC2(OCCO)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000282722652 551263643 /nfs/dbraw/zinc/26/36/43/551263643.db2.gz MAPMTXUNXHAHLX-KRWDZBQOSA-N 0 3 364.442 2.465 20 5 FEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276652 551340391 /nfs/dbraw/zinc/34/03/91/551340391.db2.gz WXHSFCUJCATINT-RYUDHWBXSA-N 0 3 367.402 2.109 20 5 FEBDHN O=C(CCN1CCS[C@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295471 551343378 /nfs/dbraw/zinc/34/33/78/551343378.db2.gz MZKUTHMEIBOVKS-CABCVRRESA-N 0 3 351.428 2.130 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000283474315 551372307 /nfs/dbraw/zinc/37/23/07/551372307.db2.gz IROWXUGLEAELJC-OAHLLOKOSA-N 0 3 357.414 2.348 20 5 FEBDHN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217224 561519069 /nfs/dbraw/zinc/51/90/69/561519069.db2.gz VDWSQQXDMNZGLO-RYUDHWBXSA-N 0 3 373.356 2.076 20 5 FEBDHN Cn1nccc1C1=CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285763317 551807010 /nfs/dbraw/zinc/80/70/10/551807010.db2.gz XJTIRBZXYAKROU-UHFFFAOYSA-N 0 3 355.398 2.446 20 5 FEBDHN O=[N+]([O-])c1cc(F)c(CN2CCC(CN3CCOCC3)CC2)c(F)c1 ZINC000286068394 551845013 /nfs/dbraw/zinc/84/50/13/551845013.db2.gz SBTCZOWIBOCPPB-UHFFFAOYSA-N 0 3 355.385 2.417 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286878483 551936110 /nfs/dbraw/zinc/93/61/10/551936110.db2.gz ZEAMPPSDYLREAW-BBRMVZONSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@@H](O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289465741 552326289 /nfs/dbraw/zinc/32/62/89/552326289.db2.gz IPLYIISCJFELHG-SECBINFHSA-N 0 3 364.183 2.450 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289912040 552398671 /nfs/dbraw/zinc/39/86/71/552398671.db2.gz AMTBFLZARIEXKK-CYBMUJFWSA-N 0 3 350.419 2.078 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500783281 561582348 /nfs/dbraw/zinc/58/23/48/561582348.db2.gz ZSMYBOHIIPJRAK-UHFFFAOYSA-N 0 3 368.397 2.070 20 5 FEBDHN CCc1n[n-]c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000290418583 552476295 /nfs/dbraw/zinc/47/62/95/552476295.db2.gz APUMHYHCMRMGBC-UHFFFAOYSA-N 0 3 358.402 2.114 20 5 FEBDHN CN(C[C@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290794627 552539294 /nfs/dbraw/zinc/53/92/94/552539294.db2.gz OUEKQQGRYZPZQE-VIFPVBQESA-N 0 3 363.183 2.330 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808864 552541829 /nfs/dbraw/zinc/54/18/29/552541829.db2.gz QXUROIIBLIMMFF-BBRMVZONSA-N 0 3 369.425 2.411 20 5 FEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CNCCO2 ZINC000291126687 552590236 /nfs/dbraw/zinc/59/02/36/552590236.db2.gz VRUDJZMKLSDJRK-UHFFFAOYSA-N 0 3 357.366 2.484 20 5 FEBDHN COc1cc(CCNC(=O)CC2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000291474151 552627879 /nfs/dbraw/zinc/62/78/79/552627879.db2.gz PQOBTXDBCHROMA-UHFFFAOYSA-N 0 3 365.430 2.003 20 5 FEBDHN CC(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292980065 552776838 /nfs/dbraw/zinc/77/68/38/552776838.db2.gz HGIGPSLIYGMMOT-INIZCTEOSA-N 0 3 370.471 2.145 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000293455026 552825694 /nfs/dbraw/zinc/82/56/94/552825694.db2.gz QCORRITUDUZMNV-CYBMUJFWSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1nn([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128309 552884045 /nfs/dbraw/zinc/88/40/45/552884045.db2.gz FGKPFKIRRLLXEF-ZBFHGGJFSA-N 0 3 357.414 2.051 20 5 FEBDHN COc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])cc1F ZINC000295543577 553023577 /nfs/dbraw/zinc/02/35/77/553023577.db2.gz IHNMMHGGQVKRIQ-QGZVFWFLSA-N 0 3 351.378 2.300 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000295988333 553085598 /nfs/dbraw/zinc/08/55/98/553085598.db2.gz KMVJQYUEPKDAKA-SJLPKXTDSA-N 0 3 362.426 2.226 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(CCCO)C1 ZINC000296065062 553098553 /nfs/dbraw/zinc/09/85/53/553098553.db2.gz AYIOFVIUQPXIIO-NSHDSACASA-N 0 3 356.810 2.217 20 5 FEBDHN CCN(C)C(=O)[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000296352605 553146237 /nfs/dbraw/zinc/14/62/37/553146237.db2.gz QMDAVSXDLMPICQ-INIZCTEOSA-N 0 3 353.419 2.075 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000297763345 553336134 /nfs/dbraw/zinc/33/61/34/553336134.db2.gz FOFLLBQCJDTYGO-CQSZACIVSA-N 0 3 364.446 2.243 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000298147554 553390268 /nfs/dbraw/zinc/39/02/68/553390268.db2.gz DEUVSTGPBILIOC-UHFFFAOYSA-N 0 3 371.459 2.097 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503527394 561643798 /nfs/dbraw/zinc/64/37/98/561643798.db2.gz YGWLTVPAQDQRJG-ROUUACIJSA-N 0 3 357.410 2.484 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000298662399 553456082 /nfs/dbraw/zinc/45/60/82/553456082.db2.gz GZSHJTNGCFBWBU-UHFFFAOYSA-N 0 3 366.374 2.190 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000299245795 553536173 /nfs/dbraw/zinc/53/61/73/553536173.db2.gz XQUVRDUDILUNQM-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000504011060 561651922 /nfs/dbraw/zinc/65/19/22/561651922.db2.gz RECBMDMNCFCSDL-UHFFFAOYSA-N 0 3 373.475 2.343 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299372204 553554364 /nfs/dbraw/zinc/55/43/64/553554364.db2.gz QFQYBAHVOCKCNG-ZDUSSCGKSA-N 0 3 350.419 2.078 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000299730188 553608752 /nfs/dbraw/zinc/60/87/52/553608752.db2.gz WQYGJMGVWAPHSQ-ZIAGYGMSSA-N 0 3 362.430 2.091 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)c(Br)c1 ZINC000301880112 553688049 /nfs/dbraw/zinc/68/80/49/553688049.db2.gz PCVFWUSAXDPGNG-NSHDSACASA-N 0 3 371.235 2.418 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000505610215 561675260 /nfs/dbraw/zinc/67/52/60/561675260.db2.gz NWQDSKBXAXTVPL-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000319894248 553764220 /nfs/dbraw/zinc/76/42/20/553764220.db2.gz WKEFRBNVIDVORV-SNVBAGLBSA-N 0 3 359.835 2.201 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000506263411 561694554 /nfs/dbraw/zinc/69/45/54/561694554.db2.gz JJQITHBNBVIHLL-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000506749603 561707796 /nfs/dbraw/zinc/70/77/96/561707796.db2.gz QVCLQSROYNJYSO-UHFFFAOYSA-N 0 3 367.471 2.283 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000508344542 561759591 /nfs/dbraw/zinc/75/95/91/561759591.db2.gz RHHLESJHIAMAIY-OLZOCXBDSA-N 0 3 363.414 2.232 20 5 FEBDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000330902697 554185819 /nfs/dbraw/zinc/18/58/19/554185819.db2.gz XVMYHMOMBTWPNC-COLVAYQJSA-N 0 3 355.435 2.341 20 5 FEBDHN CN(C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330932016 554190773 /nfs/dbraw/zinc/19/07/73/554190773.db2.gz WPKABYKQSJMBBZ-CYBMUJFWSA-N 0 3 370.247 2.452 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCN(C2CC2)C1 ZINC000331449501 554266094 /nfs/dbraw/zinc/26/60/94/554266094.db2.gz YVKVECFVVWRHLK-NSHDSACASA-N 0 3 368.231 2.253 20 5 FEBDHN CCN1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000332056202 554371266 /nfs/dbraw/zinc/37/12/66/554371266.db2.gz OSYDOFVUMZKWRX-KBPBESRZSA-N 0 3 362.430 2.307 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332225116 554404478 /nfs/dbraw/zinc/40/44/78/554404478.db2.gz BOTOTGFWLHIZTD-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253158 554410347 /nfs/dbraw/zinc/41/03/47/554410347.db2.gz MILHXGSESGUVKZ-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@H]3CCCCN3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332472571 554452633 /nfs/dbraw/zinc/45/26/33/554452633.db2.gz KLDDFOQOLJVKQF-UONOGXRCSA-N 0 3 362.430 2.101 20 5 FEBDHN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000360828289 554891569 /nfs/dbraw/zinc/89/15/69/554891569.db2.gz IUYYTJZEBXFWLX-YOEHRIQHSA-N 0 3 361.446 2.085 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000361700192 554930417 /nfs/dbraw/zinc/93/04/17/554930417.db2.gz JQJBOUJPGLQDKJ-UHFFFAOYSA-N 0 3 365.349 2.142 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290416 554961085 /nfs/dbraw/zinc/96/10/85/554961085.db2.gz RODBERZZWFBKRK-WFASDCNBSA-N 0 3 362.386 2.286 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(CCc2ccncc2)CC1 ZINC000362994653 555006396 /nfs/dbraw/zinc/00/63/96/555006396.db2.gz OQDKOSXZOFWIKH-UHFFFAOYSA-N 0 3 368.437 2.356 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424294 555102146 /nfs/dbraw/zinc/10/21/46/555102146.db2.gz QIXYMACANZTIAS-OLMNPRSZSA-N 0 3 361.442 2.143 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000363700495 555167403 /nfs/dbraw/zinc/16/74/03/555167403.db2.gz YYWVTCRBLFZEEP-MRXNPFEDSA-N 0 3 357.414 2.330 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000363732845 555174464 /nfs/dbraw/zinc/17/44/64/555174464.db2.gz DEHRGDDBHWNBPK-HZPDHXFCSA-N 0 3 359.357 2.309 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000364198205 555267838 /nfs/dbraw/zinc/26/78/38/555267838.db2.gz XGVKXTGAYQQJCL-JKSUJKDBSA-N 0 3 374.328 2.209 20 5 FEBDHN COc1ccc(C(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364308402 555288646 /nfs/dbraw/zinc/28/86/46/555288646.db2.gz XABFMCOPYJGARC-CABCVRRESA-N 0 3 359.357 2.309 20 5 FEBDHN COC(=O)c1cnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000364504076 555325511 /nfs/dbraw/zinc/32/55/11/555325511.db2.gz FOHQOLNZSVXGKH-MRXNPFEDSA-N 0 3 370.409 2.487 20 5 FEBDHN Cc1cc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)ccc1[N+](=O)[O-] ZINC000365849752 555682493 /nfs/dbraw/zinc/68/24/93/555682493.db2.gz QJLOLMRDGRNGKG-UHFFFAOYSA-N 0 3 358.402 3.010 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000366550738 555874213 /nfs/dbraw/zinc/87/42/13/555874213.db2.gz GOTPVQSZXDLRHX-KBPBESRZSA-N 0 3 365.434 2.123 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000366550739 555874312 /nfs/dbraw/zinc/87/43/12/555874312.db2.gz GOTPVQSZXDLRHX-KGLIPLIRSA-N 0 3 365.434 2.123 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292870 556009940 /nfs/dbraw/zinc/00/99/40/556009940.db2.gz WEZAWJVQAMKJIN-MRXNPFEDSA-N 0 3 350.438 2.193 20 5 FEBDHN Cc1cccc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000367454466 556054461 /nfs/dbraw/zinc/05/44/61/556054461.db2.gz QFZSNBGYGINJMO-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000368058228 556207099 /nfs/dbraw/zinc/20/70/99/556207099.db2.gz JUZNJODLFGPFMN-UHFFFAOYSA-N 0 3 369.425 2.009 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368592280 556356524 /nfs/dbraw/zinc/35/65/24/556356524.db2.gz QATIYLXMLZWSTO-RDTXWAMCSA-N 0 3 358.442 2.361 20 5 FEBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000368931213 556451568 /nfs/dbraw/zinc/45/15/68/556451568.db2.gz MFRCBKLXGBYVNQ-UHFFFAOYSA-N 0 3 355.398 2.313 20 5 FEBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)CC1 ZINC000515815855 562022692 /nfs/dbraw/zinc/02/26/92/562022692.db2.gz ODIANPCBHDHPLI-UHFFFAOYSA-N 0 3 371.441 2.323 20 5 FEBDHN CN1CCC(N2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274702 556560220 /nfs/dbraw/zinc/56/02/20/556560220.db2.gz RJUCBKMPDJSCMV-ZDUSSCGKSA-N 0 3 366.849 2.147 20 5 FEBDHN CC(C)c1nccn1C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284767 557131390 /nfs/dbraw/zinc/13/13/90/557131390.db2.gz UTMBYGBYNAOSHG-HNNXBMFYSA-N 0 3 359.430 2.241 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000518103929 562104639 /nfs/dbraw/zinc/10/46/39/562104639.db2.gz MVLWIJPZOVYVGQ-OKILXGFUSA-N 0 3 362.430 2.221 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372296552 557432387 /nfs/dbraw/zinc/43/23/87/557432387.db2.gz RJZZALRXNCJYBN-FUHWJXTLSA-N 0 3 350.415 2.226 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]2)CC1 ZINC000373292270 557666590 /nfs/dbraw/zinc/66/65/90/557666590.db2.gz OEDXZSCDEPQSAV-VOTSOKGWSA-N 0 3 355.398 2.710 20 5 FEBDHN CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000520365613 562154439 /nfs/dbraw/zinc/15/44/39/562154439.db2.gz VOQAXTZIKXKXGA-MRXNPFEDSA-N 0 3 369.425 2.304 20 5 FEBDHN CN(CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000521047009 562168467 /nfs/dbraw/zinc/16/84/67/562168467.db2.gz GGDRGFPUYGPMHE-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN N[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccccc1 ZINC000374425574 557882554 /nfs/dbraw/zinc/88/25/54/557882554.db2.gz XOGZSHWUONVFIZ-LSDHHAIUSA-N 0 3 351.366 2.038 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375032742 557967422 /nfs/dbraw/zinc/96/74/22/557967422.db2.gz SVHYDYILPMEYNI-NHYWBVRUSA-N 0 3 352.822 2.213 20 5 FEBDHN Cc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375102273 557978250 /nfs/dbraw/zinc/97/82/50/557978250.db2.gz SVDWHHIWVVJEGZ-UHFFFAOYSA-N 0 3 362.430 2.388 20 5 FEBDHN Cc1c([C@H](C)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cccc1[N+](=O)[O-] ZINC000375501791 558038974 /nfs/dbraw/zinc/03/89/74/558038974.db2.gz HDJCIBIABCEOSZ-WPKBUWHJSA-N 0 3 357.414 2.307 20 5 FEBDHN COc1cc(OCC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000375825184 558085698 /nfs/dbraw/zinc/08/56/98/558085698.db2.gz OQXHFQIDDOXFGX-ZIAGYGMSSA-N 0 3 363.414 2.067 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000377224836 558293039 /nfs/dbraw/zinc/29/30/39/558293039.db2.gz VXKMNYGEORRTEV-KSSFIOAISA-N 0 3 369.425 2.337 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000378157794 558492835 /nfs/dbraw/zinc/49/28/35/558492835.db2.gz BDRLVXHXKJPSAL-CQSZACIVSA-N 0 3 371.393 2.329 20 5 FEBDHN CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000523287532 562210420 /nfs/dbraw/zinc/21/04/20/562210420.db2.gz MPJRIHZWIMTPFY-KRWDZBQOSA-N 0 3 371.441 2.480 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408063826 558642728 /nfs/dbraw/zinc/64/27/28/558642728.db2.gz XCXVKLSFGRVBCR-KGLIPLIRSA-N 0 3 373.862 2.462 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000408340609 558668791 /nfs/dbraw/zinc/66/87/91/558668791.db2.gz WPCNORUWBFECKS-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000411500653 558906434 /nfs/dbraw/zinc/90/64/34/558906434.db2.gz RXUGDLVDXLJZBW-GFCCVEGCSA-N 0 3 361.402 2.359 20 5 FEBDHN CNC(=O)C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411683164 558943288 /nfs/dbraw/zinc/94/32/88/558943288.db2.gz QTLKXOSWAHWIJL-KRWDZBQOSA-N 0 3 370.409 2.390 20 5 FEBDHN CCN(C)C(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411783574 558962289 /nfs/dbraw/zinc/96/22/89/558962289.db2.gz HYPZEZWPFXGALZ-INIZCTEOSA-N 0 3 350.419 2.016 20 5 FEBDHN CN(C(=O)CNC1(CO)C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 ZINC000412009023 559001836 /nfs/dbraw/zinc/00/18/36/559001836.db2.gz ZQYJLFKQKSJCBH-UHFFFAOYSA-N 0 3 373.453 2.334 20 5 FEBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000413505628 559112666 /nfs/dbraw/zinc/11/26/66/559112666.db2.gz VFNPAVNQAMPKFN-CYBMUJFWSA-N 0 3 365.430 2.313 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@H](OC)C1CC1 ZINC000414195534 559152392 /nfs/dbraw/zinc/15/23/92/559152392.db2.gz WTTOMIUEYKLDCA-MMPTUQATSA-N 0 3 351.403 2.334 20 5 FEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCC(C)(C)S(C)(=O)=O ZINC000414271390 559154681 /nfs/dbraw/zinc/15/46/81/559154681.db2.gz WLRXTGASKYPGGY-LBPRGKRZSA-N 0 3 371.459 2.115 20 5 FEBDHN NCc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137225 559207838 /nfs/dbraw/zinc/20/78/38/559207838.db2.gz YAUHSUXYABAMFR-AWEZNQCLSA-N 0 3 350.810 2.136 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CCCN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416531426 559320113 /nfs/dbraw/zinc/32/01/13/559320113.db2.gz VANNBPFTIXOYPF-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)NC(C)(C)C ZINC000527288834 562284019 /nfs/dbraw/zinc/28/40/19/562284019.db2.gz HBDFRCXZRRHNPS-RAXLEYEMSA-N 0 3 355.460 2.306 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000424011603 559650818 /nfs/dbraw/zinc/65/08/18/559650818.db2.gz NJDWKYUBVAQRQJ-DLBZAZTESA-N 0 3 359.357 2.066 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N)Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000424084212 559654257 /nfs/dbraw/zinc/65/42/57/559654257.db2.gz XTYUEVPJSCABNC-CYBMUJFWSA-N 0 3 357.366 2.142 20 5 FEBDHN Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNCc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000424191976 559657071 /nfs/dbraw/zinc/65/70/71/559657071.db2.gz QVORCBXBWWOMDE-BEFAXECRSA-N 0 3 371.441 2.254 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000424463157 559666247 /nfs/dbraw/zinc/66/62/47/559666247.db2.gz GWDUHLWKBNDCRY-UHFFFAOYSA-N 0 3 370.409 2.002 20 5 FEBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429628 559701995 /nfs/dbraw/zinc/70/19/95/559701995.db2.gz AFABFWSCUYGBQZ-NEPJUHHUSA-N 0 3 356.220 2.491 20 5 FEBDHN COc1c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428529635 559777284 /nfs/dbraw/zinc/77/72/84/559777284.db2.gz HOOIREVVRXPFPQ-HNNXBMFYSA-N 0 3 371.393 2.422 20 5 FEBDHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430239607 559815904 /nfs/dbraw/zinc/81/59/04/559815904.db2.gz KVOQEKYHSWAIMS-UHFFFAOYSA-N 0 3 358.398 2.329 20 5 FEBDHN Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000430448592 559820298 /nfs/dbraw/zinc/82/02/98/559820298.db2.gz PILIEAOQFQRPHU-UHFFFAOYSA-N 0 3 373.413 2.384 20 5 FEBDHN COc1ccc(CSCC(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000438516908 559980034 /nfs/dbraw/zinc/98/00/34/559980034.db2.gz KWGKXEZOPPNPQT-UHFFFAOYSA-N 0 3 367.471 2.437 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000440823431 560018974 /nfs/dbraw/zinc/01/89/74/560018974.db2.gz VLRASYBKMKEEAJ-YLJYHZDGSA-N 0 3 372.421 2.148 20 5 FEBDHN [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447240731 560158457 /nfs/dbraw/zinc/15/84/57/560158457.db2.gz SNIQYGAHSHHILS-BTOWRCTQSA-N 0 3 373.862 2.433 20 5 FEBDHN CN(C)[C@H]1CCOc2c(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cccc21 ZINC000447725061 560167973 /nfs/dbraw/zinc/16/79/73/560167973.db2.gz ZJFFSHSURXFTKW-ZDUSSCGKSA-N 0 3 358.354 2.333 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448710772 560195866 /nfs/dbraw/zinc/19/58/66/560195866.db2.gz VBCNGHVDEOFPNO-AWEZNQCLSA-N 0 3 357.414 2.242 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000449070145 560214770 /nfs/dbraw/zinc/21/47/70/560214770.db2.gz BDNFXWGNGDXOPJ-SWLSCSKDSA-N 0 3 363.414 2.234 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156863 560218511 /nfs/dbraw/zinc/21/85/11/560218511.db2.gz TWASIULJGYGGCV-BBRMVZONSA-N 0 3 357.414 2.045 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170267 560219009 /nfs/dbraw/zinc/21/90/09/560219009.db2.gz GAQUVOMLTUGRIO-UKRRQHHQSA-N 0 3 357.414 2.045 20 5 FEBDHN COC(=O)C1CCN(CCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450257400 560256010 /nfs/dbraw/zinc/25/60/10/560256010.db2.gz LKGHHWMTCUZPIG-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCCN3CCCO)n2)cc1 ZINC000450596687 560267472 /nfs/dbraw/zinc/26/74/72/560267472.db2.gz NSYDJOSCNRUXNX-HNNXBMFYSA-N 0 3 362.455 2.977 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451632362 560318163 /nfs/dbraw/zinc/31/81/63/560318163.db2.gz OQJMIWTYCZDIJR-ZIBATOQPSA-N 0 3 352.822 2.211 20 5 FEBDHN CC1(C)C[C@@H](O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451804109 560329579 /nfs/dbraw/zinc/32/95/79/560329579.db2.gz APSUSVANBBOXRX-AWEZNQCLSA-N 0 3 363.414 2.376 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000452084335 560350201 /nfs/dbraw/zinc/35/02/01/560350201.db2.gz HZZQOGIHZILNRQ-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CNc1nc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915706 560500011 /nfs/dbraw/zinc/50/00/11/560500011.db2.gz NLOGKJOBNBOGTB-UKRRQHHQSA-N 0 3 369.425 2.424 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NC(C)(C)CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000457021752 560544245 /nfs/dbraw/zinc/54/42/45/560544245.db2.gz FYMRZUOJORDVTM-UHFFFAOYSA-N 0 3 363.414 2.376 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000459492095 560689569 /nfs/dbraw/zinc/68/95/69/560689569.db2.gz ZQLMLXCXVOBRJY-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459655426 560700589 /nfs/dbraw/zinc/70/05/89/560700589.db2.gz DEOTVGPDJFVPPO-HOCLYGCPSA-N 0 3 373.409 2.394 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716785 560915715 /nfs/dbraw/zinc/91/57/15/560915715.db2.gz VGJAFSZZJZWXEX-SJKOYZFVSA-N 0 3 369.425 2.208 20 5 FEBDHN CCOC(=O)c1cc(N2CCC(OCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000467767823 560916842 /nfs/dbraw/zinc/91/68/42/560916842.db2.gz FXDINWQYNAVKPC-UHFFFAOYSA-N 0 3 365.430 2.319 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)NCC1CCC1 ZINC000468642876 560934802 /nfs/dbraw/zinc/93/48/02/560934802.db2.gz VANAPOZJKSESQI-UVTDQMKNSA-N 0 3 367.471 2.307 20 5 FEBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471525687 561006499 /nfs/dbraw/zinc/00/64/99/561006499.db2.gz AHRQZZGISBKWAH-SECBINFHSA-N 0 3 354.823 2.338 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000472559883 561029303 /nfs/dbraw/zinc/02/93/03/561029303.db2.gz HWEPMXTWSQBIKP-RYUDHWBXSA-N 0 3 366.393 2.052 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCC[C@]1(C)CO ZINC000472633916 561031482 /nfs/dbraw/zinc/03/14/82/561031482.db2.gz UPNYVRWNBVMJIL-XNJJOIOASA-N 0 3 351.403 2.071 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000474006131 561063330 /nfs/dbraw/zinc/06/33/30/561063330.db2.gz FKHQGGKWVVYTTE-UHFFFAOYSA-N 0 3 363.370 2.084 20 5 FEBDHN CCN1C[C@@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475713850 561103041 /nfs/dbraw/zinc/10/30/41/561103041.db2.gz FSEJUDVGHHDGIH-ZIAGYGMSSA-N 0 3 365.430 2.061 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000476668243 561125704 /nfs/dbraw/zinc/12/57/04/561125704.db2.gz KQXTWEJZVCXHHQ-OAHLLOKOSA-N 0 3 357.414 2.065 20 5 FEBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H](N2CCCC2)C1 ZINC000530463733 562412341 /nfs/dbraw/zinc/41/23/41/562412341.db2.gz HTXXXYUELVYIPS-KRWDZBQOSA-N 0 3 360.458 2.102 20 5 FEBDHN CNc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531252426 562439751 /nfs/dbraw/zinc/43/97/51/562439751.db2.gz BQBOKEKVQZLBAZ-OKILXGFUSA-N 0 3 364.446 2.256 20 5 FEBDHN COc1ccc(CC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901242 562596108 /nfs/dbraw/zinc/59/61/08/562596108.db2.gz XJZYKCOOWPONSJ-DLBZAZTESA-N 0 3 369.421 2.360 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)CN2CCCC2)c1 ZINC000541819136 562620443 /nfs/dbraw/zinc/62/04/43/562620443.db2.gz MHKXRLLMMRGVQZ-ZDUSSCGKSA-N 0 3 355.460 2.222 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000541817864 562620473 /nfs/dbraw/zinc/62/04/73/562620473.db2.gz ZAGFNRKATOQCDW-LLVKDONJSA-N 0 3 359.423 2.085 20 5 FEBDHN CC[N@H+](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000821213247 606216684 /nfs/dbraw/zinc/21/66/84/606216684.db2.gz ATNLMJSEEKOVEM-UHFFFAOYSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@@H+](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000821213247 606216686 /nfs/dbraw/zinc/21/66/86/606216686.db2.gz ATNLMJSEEKOVEM-UHFFFAOYSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@H+](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000821213247 606216687 /nfs/dbraw/zinc/21/66/87/606216687.db2.gz ATNLMJSEEKOVEM-UHFFFAOYSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@@H+](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000821213247 606216689 /nfs/dbraw/zinc/21/66/89/606216689.db2.gz ATNLMJSEEKOVEM-UHFFFAOYSA-N 0 3 368.401 2.219 20 5 FEBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000821581359 606644905 /nfs/dbraw/zinc/64/49/05/606644905.db2.gz JIBZIATUWXIUKO-OAHLLOKOSA-N 0 3 367.413 2.360 20 5 FEBDHN C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000825860581 608305863 /nfs/dbraw/zinc/30/58/63/608305863.db2.gz SDESRPPKVGBAKI-UHFFFAOYSA-N 0 3 359.434 2.333 20 5 FEBDHN C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000825860581 608305865 /nfs/dbraw/zinc/30/58/65/608305865.db2.gz SDESRPPKVGBAKI-UHFFFAOYSA-N 0 3 359.434 2.333 20 5 FEBDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826283497 608554160 /nfs/dbraw/zinc/55/41/60/608554160.db2.gz SJGMMOBDJOMSPU-PXAZEXFGSA-N 0 3 368.397 2.468 20 5 FEBDHN Cc1sc(=O)n(CC(=O)OCC(C)[N+](=O)[O-])c1-c1ccc(F)cc1 ZINC000813114152 674721613 /nfs/dbraw/zinc/72/16/13/674721613.db2.gz ZHPQWWRNAXVKER-VIFPVBQESA-N 0 3 354.359 2.233 20 5 FEBDHN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105665 674719866 /nfs/dbraw/zinc/71/98/66/674719866.db2.gz RIZXHEWZMMBLOO-ZWNOBZJWSA-N 0 3 374.846 2.400 20 5 FEBDHN CC(COC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)[N+](=O)[O-] ZINC000813111717 674720883 /nfs/dbraw/zinc/72/08/83/674720883.db2.gz KNTTWEBHLDWKLW-CYBMUJFWSA-N 0 3 363.391 2.483 20 5 FEBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Br)cc1 ZINC000813111652 674721089 /nfs/dbraw/zinc/72/10/89/674721089.db2.gz JYRZNVRCTZMPII-NOZJJQNGSA-N 0 3 373.203 2.225 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816971979 675091704 /nfs/dbraw/zinc/09/17/04/675091704.db2.gz XJWACQLTRYTHHG-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000566117418 675182883 /nfs/dbraw/zinc/18/28/83/675182883.db2.gz RPDGTYKPULFOKH-AWEZNQCLSA-N 0 3 364.423 2.426 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000577486049 671599207 /nfs/dbraw/zinc/59/92/07/671599207.db2.gz WRMBHQONBUDMBT-LLVKDONJSA-N 0 3 355.441 2.218 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000610135255 675956276 /nfs/dbraw/zinc/95/62/76/675956276.db2.gz NXGHOGJUBHNIIG-CHWSQXEVSA-N 0 3 371.459 2.097 20 5 FEBDHN CCCCCCNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174837381 672363974 /nfs/dbraw/zinc/36/39/74/672363974.db2.gz QANRXFYPUWZFND-OAHLLOKOSA-N 0 3 351.451 2.200 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000594854465 673165041 /nfs/dbraw/zinc/16/50/41/673165041.db2.gz LMCIEEKJRDMSCU-ZDUSSCGKSA-N 0 3 353.444 2.280 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959818 673181133 /nfs/dbraw/zinc/18/11/33/673181133.db2.gz GVASJHXAWWLPCP-FPJCUDJDSA-N 0 3 356.444 2.391 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598606321 673589161 /nfs/dbraw/zinc/58/91/61/673589161.db2.gz ZZVQWOUEWRZZPN-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1nc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598824836 673614877 /nfs/dbraw/zinc/61/48/77/673614877.db2.gz ZLCHTODUDNSDSC-VHSXEESVSA-N 0 3 363.292 2.221 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCCCC1 ZINC000542911404 673614897 /nfs/dbraw/zinc/61/48/97/673614897.db2.gz CUSNLAZVGJHULQ-OAHLLOKOSA-N 0 3 351.403 2.073 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000599390011 673667993 /nfs/dbraw/zinc/66/79/93/673667993.db2.gz GEHFQVTUMDOHIJ-QGZVFWFLSA-N 0 3 367.471 2.421 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625766 673698870 /nfs/dbraw/zinc/69/88/70/673698870.db2.gz OKGHCQPSVXIONE-VZTWBHMWSA-N 0 3 351.403 2.332 20 5 FEBDHN CC(C)[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572780 673718364 /nfs/dbraw/zinc/71/83/64/673718364.db2.gz OJUGYTQXVQJGGL-CZUORRHYSA-N 0 3 356.444 2.162 20 5 FEBDHN CCOC1CC(O)(CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602638081 673909206 /nfs/dbraw/zinc/90/92/06/673909206.db2.gz RLDFLFGZTKAECH-UHFFFAOYSA-N 0 3 365.249 2.438 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000602846446 673911765 /nfs/dbraw/zinc/91/17/65/673911765.db2.gz OPTVDZMCGRLPIB-GXTWGEPZSA-N 0 3 352.435 2.399 20 5 FEBDHN CCS(=O)(=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819210311 675270222 /nfs/dbraw/zinc/27/02/22/675270222.db2.gz BZEMYYTVQXKNCU-QGZVFWFLSA-N 0 3 364.423 2.212 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCN1CCCCC1 ZINC000822517935 675490142 /nfs/dbraw/zinc/49/01/42/675490142.db2.gz DHWCWVOXAMWVGE-UHFFFAOYSA-N 0 3 368.821 2.422 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000827953668 675788543 /nfs/dbraw/zinc/78/85/43/675788543.db2.gz QININHFQQHJZSS-UHFFFAOYSA-N 0 3 366.395 2.433 20 5 FEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959027 675855164 /nfs/dbraw/zinc/85/51/64/675855164.db2.gz KMGXDTXEXGQIGQ-QWRGUYRKSA-N 0 3 356.785 2.278 20 5 FEBDHN O=C(CNC1(CO)CCSCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839619346 680767238 /nfs/dbraw/zinc/76/72/38/680767238.db2.gz UQCILOZGBSIPEO-UHFFFAOYSA-N 0 3 359.835 2.034 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCCN2CCN(C)CC2)cc1Cl ZINC000836666077 680496919 /nfs/dbraw/zinc/49/69/19/680496919.db2.gz BPQLPBUUBUQFCW-UHFFFAOYSA-N 0 3 368.865 2.266 20 5 FEBDHN COC(=O)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845873568 681158348 /nfs/dbraw/zinc/15/83/48/681158348.db2.gz DBZOVQIXHDNOKW-ISVAXAHUSA-N 0 3 352.274 2.164 20 5 FEBDHN CC([C@@H](OC(=O)c1ccoc1CC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881999 681159099 /nfs/dbraw/zinc/15/90/99/681159099.db2.gz NJJNQBUWBPMOCS-RFAUZJTJSA-N 0 3 350.302 2.010 20 5 FEBDHN CCCN1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845882543 681159259 /nfs/dbraw/zinc/15/92/59/681159259.db2.gz VDRXYKSLIMNBTI-XHBSWPGZSA-N 0 3 352.362 2.334 20 5 FEBDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846205651 681200572 /nfs/dbraw/zinc/20/05/72/681200572.db2.gz IXXAPIOMHFQKEH-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933241564 681379267 /nfs/dbraw/zinc/37/92/67/681379267.db2.gz AFFNZRPJPYFWBM-CYBMUJFWSA-N 0 3 358.320 2.442 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000776591552 681412603 /nfs/dbraw/zinc/41/26/03/681412603.db2.gz JSHCUWZMYXCTAB-ZWKOTPCHSA-N 0 3 350.415 2.288 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000776600701 681414042 /nfs/dbraw/zinc/41/40/42/681414042.db2.gz FGMFXINDDVUJPU-RDTXWAMCSA-N 0 3 350.415 2.146 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000935112878 681690752 /nfs/dbraw/zinc/69/07/52/681690752.db2.gz JJIZXPZCIIRSNF-TZMCWYRMSA-N 0 3 355.485 2.434 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000935867538 681840357 /nfs/dbraw/zinc/84/03/57/681840357.db2.gz CEJPCTOHXIXIND-CQSZACIVSA-N 0 3 365.821 2.172 20 5 FEBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784820582 682254471 /nfs/dbraw/zinc/25/44/71/682254471.db2.gz BARLOXBHVSSGTP-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1F ZINC000852919529 682357268 /nfs/dbraw/zinc/35/72/68/682357268.db2.gz ZHMPCGILXQTVOJ-RKDXNWHRSA-N 0 3 364.146 2.008 20 5 FEBDHN COc1cc(CNC[C@@]2(OC(C)C)CCOC2)c([N+](=O)[O-])cc1OC ZINC000922611969 683753849 /nfs/dbraw/zinc/75/38/49/683753849.db2.gz RJUDWRHMKNEMOD-KRWDZBQOSA-N 0 3 354.403 2.286 20 5 FEBDHN CN1CCC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183357 683946987 /nfs/dbraw/zinc/94/69/87/683946987.db2.gz DBGXWMQYNFQIQU-LLVKDONJSA-N 0 3 356.220 2.110 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866892020 684175545 /nfs/dbraw/zinc/17/55/45/684175545.db2.gz AMHMNAXZPYHIHI-LBPRGKRZSA-N 0 3 359.423 2.147 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869785649 684655742 /nfs/dbraw/zinc/65/57/42/684655742.db2.gz YSULDHAXBAGDOP-OLZOCXBDSA-N 0 3 367.471 2.037 20 5 FEBDHN CC(C)N1C(=O)CC[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873544050 685154503 /nfs/dbraw/zinc/15/45/03/685154503.db2.gz AYXAROXSKBGMRR-WPGHFRTFSA-N 0 3 352.362 2.475 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c1C ZINC000882768359 687480116 /nfs/dbraw/zinc/48/01/16/687480116.db2.gz ALFJEUCNEHHWPT-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN COCCN1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906620219 691293067 /nfs/dbraw/zinc/29/30/67/691293067.db2.gz YXDSJZFPFZFAAC-ZDUSSCGKSA-N 0 3 355.822 2.018 20 5 FEBDHN CC(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N1CCN(C)CC1 ZINC000516116503 816637696 /nfs/dbraw/zinc/63/76/96/816637696.db2.gz LARAURPEDPANCV-INIZCTEOSA-N 0 3 358.446 2.222 20 5 FEBDHN CCOc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000008122654 539477766 /nfs/dbraw/zinc/47/77/66/539477766.db2.gz LTLPSVQXLOTOSR-UHFFFAOYSA-N 0 3 356.382 2.351 20 5 FEBDHN CN(C)Cc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024812416 539741624 /nfs/dbraw/zinc/74/16/24/539741624.db2.gz ANPBAWZUDXNXIO-UHFFFAOYSA-N 0 3 370.409 2.415 20 5 FEBDHN CN(C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027582305 539811300 /nfs/dbraw/zinc/81/13/00/539811300.db2.gz AOVZRBIKOKUEIB-INIZCTEOSA-N 0 3 357.410 2.263 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000055298020 540644761 /nfs/dbraw/zinc/64/47/61/540644761.db2.gz DTISONFQRSTJHR-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000062120300 541144514 /nfs/dbraw/zinc/14/45/14/541144514.db2.gz YWKRYRKUADGDIC-KGLIPLIRSA-N 0 3 362.430 2.221 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067360652 541449126 /nfs/dbraw/zinc/44/91/26/541449126.db2.gz SBVLHAFKESTAPJ-QGZVFWFLSA-N 0 3 371.441 2.352 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000078737098 205631075 /nfs/dbraw/zinc/63/10/75/205631075.db2.gz CFEWXYVGARZRPK-AWEZNQCLSA-N 0 3 353.444 2.152 20 5 FEBDHN COC1CCN(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000080249721 542578119 /nfs/dbraw/zinc/57/81/19/542578119.db2.gz QMVWRTFPMAIRCF-UHFFFAOYSA-N 0 3 362.430 2.010 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000247432515 549333021 /nfs/dbraw/zinc/33/30/21/549333021.db2.gz OUICLGADOPXIOJ-TZMCWYRMSA-N 0 3 365.430 2.414 20 5 FEBDHN Cc1cccc(CN(CCN(C)C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000103112955 543092772 /nfs/dbraw/zinc/09/27/72/543092772.db2.gz ZFULETYXBZGNNO-UHFFFAOYSA-N 0 3 359.430 2.080 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)cc1SC ZINC000108341920 543286733 /nfs/dbraw/zinc/28/67/33/543286733.db2.gz CDZBKZSOYLLNRR-LLVKDONJSA-N 0 3 353.444 2.397 20 5 FEBDHN O=C(CCN1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111293087 543394035 /nfs/dbraw/zinc/39/40/35/543394035.db2.gz GPJJIJVYLBTISM-MRXNPFEDSA-N 0 3 360.414 2.010 20 5 FEBDHN COC1CCN(CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119879868 543673580 /nfs/dbraw/zinc/67/35/80/543673580.db2.gz BQVOGZHFIVSCOF-UHFFFAOYSA-N 0 3 350.419 2.444 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000124421343 543819989 /nfs/dbraw/zinc/81/99/89/543819989.db2.gz TZIFOUUSVQBSGK-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000133637445 544278156 /nfs/dbraw/zinc/27/81/56/544278156.db2.gz XCSSDAPCOMBYNO-NSHDSACASA-N 0 3 359.423 2.053 20 5 FEBDHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452681 544347417 /nfs/dbraw/zinc/34/74/17/544347417.db2.gz GOCCZKMUQRWVGK-HZPDHXFCSA-N 0 3 358.398 2.070 20 5 FEBDHN O=C(CCN1CCC(N2CCCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153048427 544726866 /nfs/dbraw/zinc/72/68/66/544726866.db2.gz GYUDZZPXXHXJFH-UHFFFAOYSA-N 0 3 374.441 2.400 20 5 FEBDHN CCN1CCCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152851043 544703056 /nfs/dbraw/zinc/70/30/56/544703056.db2.gz IQFIFDDELSNQDA-ZDUSSCGKSA-N 0 3 370.475 2.131 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000152923787 544711528 /nfs/dbraw/zinc/71/15/28/544711528.db2.gz WYGRROWAOAOVBP-BXUZGUMPSA-N 0 3 373.862 2.353 20 5 FEBDHN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCN1Cc1ccccc1 ZINC000154829254 544955034 /nfs/dbraw/zinc/95/50/34/544955034.db2.gz FJJFPQWMCKQZOA-LJQANCHMSA-N 0 3 369.425 2.357 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179764123 327658939 /nfs/dbraw/zinc/65/89/39/327658939.db2.gz MIPCEVRBYHIJQF-LJQANCHMSA-N 0 3 371.393 2.269 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000183901022 327841585 /nfs/dbraw/zinc/84/15/85/327841585.db2.gz NNQBGRCGSNILMA-UHFFFAOYSA-N 0 3 373.862 2.294 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(Cn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000186264573 327954485 /nfs/dbraw/zinc/95/44/85/327954485.db2.gz JNFKKIKDFRGGCV-UHFFFAOYSA-N 0 3 372.429 2.236 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000189112447 328129315 /nfs/dbraw/zinc/12/93/15/328129315.db2.gz ZJWQOCIUHPFCML-INIZCTEOSA-N 0 3 357.476 2.381 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000189190743 328134117 /nfs/dbraw/zinc/13/41/17/328134117.db2.gz MZGVFOWIHGLWOP-SJLPKXTDSA-N 0 3 350.415 2.226 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191341317 328260973 /nfs/dbraw/zinc/26/09/73/328260973.db2.gz SPDRJVUCZYJKJA-UHFFFAOYSA-N 0 3 350.419 2.444 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000191885331 328286709 /nfs/dbraw/zinc/28/67/09/328286709.db2.gz QKVLPXRXHNTEOO-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000067429643 324888653 /nfs/dbraw/zinc/88/86/53/324888653.db2.gz BNRLZXOHMGSIAY-ZDUSSCGKSA-N 0 3 355.460 2.167 20 5 FEBDHN CN(C)[C@@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078617625 325054287 /nfs/dbraw/zinc/05/42/87/325054287.db2.gz CEQYKOHTBGGFMO-CQSZACIVSA-N 0 3 357.414 2.090 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079278608 325084338 /nfs/dbraw/zinc/08/43/38/325084338.db2.gz FMNINEUMAAHGCG-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN N[C@@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237877176 328532460 /nfs/dbraw/zinc/53/24/60/328532460.db2.gz FUTIGOBWPOGKFE-INIZCTEOSA-N 0 3 354.410 2.334 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090015388 325351449 /nfs/dbraw/zinc/35/14/49/325351449.db2.gz YBQMBQNODUJZRY-GJZGRUSLSA-N 0 3 367.471 2.432 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCCc2ccccc2)CC1 ZINC000090520224 325362230 /nfs/dbraw/zinc/36/22/30/325362230.db2.gz VOPGKWQYGZMHOP-UHFFFAOYSA-N 0 3 371.437 2.480 20 5 FEBDHN CCN1CCN([C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399661 326011105 /nfs/dbraw/zinc/01/11/05/326011105.db2.gz HEOLQLOZLFJUHF-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120028388 326223059 /nfs/dbraw/zinc/22/30/59/326223059.db2.gz DYJMQQZAPBHOEO-GOSISDBHSA-N 0 3 370.409 2.483 20 5 FEBDHN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167480 326236677 /nfs/dbraw/zinc/23/66/77/326236677.db2.gz JUWQRGRUOHBSGA-LBPRGKRZSA-N 0 3 361.489 2.303 20 5 FEBDHN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167480 326236680 /nfs/dbraw/zinc/23/66/80/326236680.db2.gz JUWQRGRUOHBSGA-LBPRGKRZSA-N 0 3 361.489 2.303 20 5 FEBDHN CCC(CC)(CNCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000120695852 326279627 /nfs/dbraw/zinc/27/96/27/326279627.db2.gz ZSKKCEMYLOZOJR-UHFFFAOYSA-N 0 3 363.414 2.053 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000120960973 326302312 /nfs/dbraw/zinc/30/23/12/326302312.db2.gz PGWCXFSTHLPOOM-UHFFFAOYSA-N 0 3 362.430 2.142 20 5 FEBDHN Cc1ccc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000124158429 326448728 /nfs/dbraw/zinc/44/87/28/326448728.db2.gz JZTJEJWDESTGPO-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000128559660 326525806 /nfs/dbraw/zinc/52/58/06/326525806.db2.gz CXHIMIKQRQIYIQ-OAHLLOKOSA-N 0 3 357.414 2.204 20 5 FEBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136859286 326655894 /nfs/dbraw/zinc/65/58/94/326655894.db2.gz IYSUIRXZEVCWAG-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000264547542 329034572 /nfs/dbraw/zinc/03/45/72/329034572.db2.gz CEJNTKJTZLKDJU-OAHLLOKOSA-N 0 3 361.398 2.082 20 5 FEBDHN COc1ccc(NC(=O)CN2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264645616 329044166 /nfs/dbraw/zinc/04/41/66/329044166.db2.gz WEURDPCCVYCOEM-AWEZNQCLSA-N 0 3 362.430 2.102 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266207024 329200549 /nfs/dbraw/zinc/20/05/49/329200549.db2.gz PMTFKOATKGDHED-AAEUAGOBSA-N 0 3 359.423 2.085 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267153504 329297431 /nfs/dbraw/zinc/29/74/31/329297431.db2.gz HSAXJIIWDKXIQZ-HNNXBMFYSA-N 0 3 354.432 2.162 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000267272060 329309200 /nfs/dbraw/zinc/30/92/00/329309200.db2.gz RRRSBQSRZGSNDZ-UHFFFAOYSA-N 0 3 372.425 2.090 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369635 329319966 /nfs/dbraw/zinc/31/99/66/329319966.db2.gz FUJMOPOLINRSLX-CRAIPNDOSA-N 0 3 371.441 2.208 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000273450240 329865931 /nfs/dbraw/zinc/86/59/31/329865931.db2.gz DEPBKMFXZIFXTL-UHFFFAOYSA-N 0 3 367.471 2.375 20 5 FEBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000275205650 330021683 /nfs/dbraw/zinc/02/16/83/330021683.db2.gz AHLXYPQKYXIAFO-WMZOPIPTSA-N 0 3 360.414 2.444 20 5 FEBDHN Cc1c(NC(=O)C(=O)N(C)[C@H](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000275948682 330105754 /nfs/dbraw/zinc/10/57/54/330105754.db2.gz YKHKUVRWMQSIIW-CYBMUJFWSA-N 0 3 362.430 2.030 20 5 FEBDHN CCOCCOCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000276208456 330129253 /nfs/dbraw/zinc/12/92/53/330129253.db2.gz OSPHVZGERJINTM-UHFFFAOYSA-N 0 3 362.430 2.480 20 5 FEBDHN COCCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291388270 330189238 /nfs/dbraw/zinc/18/92/38/330189238.db2.gz GCWCHQRBSJGTBA-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN COCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187590 330275608 /nfs/dbraw/zinc/27/56/08/330275608.db2.gz OLVLOJIKOHYVDA-LSDHHAIUSA-N 0 3 370.471 2.179 20 5 FEBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000477724293 561151929 /nfs/dbraw/zinc/15/19/29/561151929.db2.gz XIKIOOQHUZVTGX-UHFFFAOYSA-N 0 3 358.398 2.380 20 5 FEBDHN CC(C)[C@H](CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000161822409 546134492 /nfs/dbraw/zinc/13/44/92/546134492.db2.gz WNRAUIBNFMWRFC-LBPRGKRZSA-N 0 3 374.235 2.292 20 5 FEBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000161822294 546134571 /nfs/dbraw/zinc/13/45/71/546134571.db2.gz WNRAUIBNFMWRFC-GFCCVEGCSA-N 0 3 374.235 2.292 20 5 FEBDHN COCCCN(C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176334710 546433163 /nfs/dbraw/zinc/43/31/63/546433163.db2.gz YNXBLPQFSSPFDP-AWEZNQCLSA-N 0 3 352.435 2.232 20 5 FEBDHN CCOc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161234 546558671 /nfs/dbraw/zinc/55/86/71/546558671.db2.gz WEECYGFNDQZOPH-NEPJUHHUSA-N 0 3 363.414 2.357 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000480757522 561216137 /nfs/dbraw/zinc/21/61/37/561216137.db2.gz LTAAOXUGFUVVDG-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CCc3ccccc32)c1 ZINC000178004864 546721060 /nfs/dbraw/zinc/72/10/60/546721060.db2.gz WPCLCZURBIYJKL-QGZVFWFLSA-N 0 3 361.423 2.150 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000481970936 561246497 /nfs/dbraw/zinc/24/64/97/561246497.db2.gz RJYVLUVRCVHZSH-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180897045 547205071 /nfs/dbraw/zinc/20/50/71/547205071.db2.gz PYJYQLVUPYYTSS-CQSZACIVSA-N 0 3 370.409 2.170 20 5 FEBDHN CCCN(C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181943680 547409906 /nfs/dbraw/zinc/40/99/06/547409906.db2.gz GHOHJPUQQQFIJO-HNNXBMFYSA-N 0 3 369.487 2.032 20 5 FEBDHN CCN(CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249678 547460464 /nfs/dbraw/zinc/46/04/64/547460464.db2.gz AMYOTCOARAXVEL-ZDUSSCGKSA-N 0 3 351.428 2.356 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000183444558 547660258 /nfs/dbraw/zinc/66/02/58/547660258.db2.gz WLVOKPCYJBKACQ-SFHVURJKSA-N 0 3 355.394 2.091 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183453166 547663187 /nfs/dbraw/zinc/66/31/87/547663187.db2.gz FFYUYRVKZBEBAK-SFHVURJKSA-N 0 3 369.421 2.020 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000183487198 547669702 /nfs/dbraw/zinc/66/97/02/547669702.db2.gz JTCYUWIUWJZLEU-NSHDSACASA-N 0 3 373.862 2.319 20 5 FEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617151 561301286 /nfs/dbraw/zinc/30/12/86/561301286.db2.gz MDXZGXVJIWMGQC-COLVAYQJSA-N 0 3 371.821 2.359 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184430072 547825582 /nfs/dbraw/zinc/82/55/82/547825582.db2.gz QJNWPSNOXGIRNX-UHFFFAOYSA-N 0 3 359.423 2.005 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095801 561338093 /nfs/dbraw/zinc/33/80/93/561338093.db2.gz XTJSNQQBTPNNAO-JCKWVBRZSA-N 0 3 368.430 2.465 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000192854425 548374981 /nfs/dbraw/zinc/37/49/81/548374981.db2.gz JZJZLXBVDSSCAM-UHFFFAOYSA-N 0 3 358.402 2.404 20 5 FEBDHN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCN(C2CC2)C1 ZINC000487441102 561369880 /nfs/dbraw/zinc/36/98/80/561369880.db2.gz FJGKGDNIAPNGGI-AWEZNQCLSA-N 0 3 355.398 2.089 20 5 FEBDHN CC(C)c1ccc([C@H](N)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000236760242 548778042 /nfs/dbraw/zinc/77/80/42/548778042.db2.gz LKYUXQUZPOVLOH-MRXNPFEDSA-N 0 3 359.430 2.466 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2cccc3cc[nH]c32)cc1 ZINC000237987491 548869549 /nfs/dbraw/zinc/86/95/49/548869549.db2.gz UQDMXHMUVNQIOT-UHFFFAOYSA-N 0 3 374.422 2.144 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246046022 549040665 /nfs/dbraw/zinc/04/06/65/549040665.db2.gz BVRABYTUQSHBEA-ZFWWWQNUSA-N 0 3 353.444 2.151 20 5 FEBDHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000488386665 561388973 /nfs/dbraw/zinc/38/89/73/561388973.db2.gz SOBJVRQLAKFNKI-UHFFFAOYSA-N 0 3 371.397 2.001 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246468237 549140359 /nfs/dbraw/zinc/14/03/59/549140359.db2.gz GPNWVMOLHSESLC-YOEHRIQHSA-N 0 3 371.441 2.269 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246578098 549166870 /nfs/dbraw/zinc/16/68/70/549166870.db2.gz WOCDLBNMJFPINI-ZNMIVQPWSA-N 0 3 369.487 2.381 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000247252773 549307252 /nfs/dbraw/zinc/30/72/52/549307252.db2.gz ZTOIUTLYRQMEHM-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000249151153 549561416 /nfs/dbraw/zinc/56/14/16/549561416.db2.gz HGJGFCKTYBRWGI-KGLIPLIRSA-N 0 3 355.460 2.135 20 5 FEBDHN COCCCN1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000263737746 549928609 /nfs/dbraw/zinc/92/86/09/549928609.db2.gz IBYMKUSGQCNWDW-UHFFFAOYSA-N 0 3 374.441 2.167 20 5 FEBDHN C[C@@H]1CN(C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000490849455 561439145 /nfs/dbraw/zinc/43/91/45/561439145.db2.gz YKESPKQWEQEJHH-SPYBWZPUSA-N 0 3 363.458 2.029 20 5 FEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269618263 550211425 /nfs/dbraw/zinc/21/14/25/550211425.db2.gz OXMXWANVOULVCO-UHFFFAOYSA-N 0 3 370.409 2.299 20 5 FEBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])c3nonc32)ccn1 ZINC000270721654 550300582 /nfs/dbraw/zinc/30/05/82/550300582.db2.gz OIXWVBHKMMHXKK-UHFFFAOYSA-N 0 3 358.358 2.079 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)cc1SC ZINC000271820737 550404538 /nfs/dbraw/zinc/40/45/38/550404538.db2.gz GFOZVVHLYJXDBW-UHFFFAOYSA-N 0 3 351.428 2.317 20 5 FEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000272177252 550427429 /nfs/dbraw/zinc/42/74/29/550427429.db2.gz JNODGUPJOCATIK-RDTXWAMCSA-N 0 3 358.442 2.361 20 5 FEBDHN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1=CCN(C)CC1 ZINC000272760599 550469139 /nfs/dbraw/zinc/46/91/39/550469139.db2.gz FWYDGYGYVVCWSG-LLVKDONJSA-N 0 3 356.382 2.229 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000273526654 550501906 /nfs/dbraw/zinc/50/19/06/550501906.db2.gz ZTBBAPQZLGIDOD-CYBMUJFWSA-N 0 3 364.446 2.475 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000277009657 550621343 /nfs/dbraw/zinc/62/13/43/550621343.db2.gz XWLHZKAAVMHROE-UHFFFAOYSA-N 0 3 372.381 2.091 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000277044285 550625455 /nfs/dbraw/zinc/62/54/55/550625455.db2.gz HOSZDURRGSGGLT-GDBMZVCRSA-N 0 3 365.455 2.255 20 5 FEBDHN COC1(C[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277154177 550637724 /nfs/dbraw/zinc/63/77/24/550637724.db2.gz QLESIMFEFHVVEJ-CYBMUJFWSA-N 0 3 356.444 2.306 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277810493 550716643 /nfs/dbraw/zinc/71/66/43/550716643.db2.gz XKFCIEGNIGBKNA-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278786362 550821858 /nfs/dbraw/zinc/82/18/58/550821858.db2.gz YOSPEPJAODSIPL-HNNXBMFYSA-N 0 3 363.458 2.490 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510497 550898289 /nfs/dbraw/zinc/89/82/89/550898289.db2.gz UHFULMJGAREVSF-SMDDNHRTSA-N 0 3 352.410 2.212 20 5 FEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279822862 550932730 /nfs/dbraw/zinc/93/27/30/550932730.db2.gz YGZCJQWRLPXQRC-YJBOKZPZSA-N 0 3 361.421 2.373 20 5 FEBDHN Cn1cc(CNCC2([S@@](C)=O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280645769 551017093 /nfs/dbraw/zinc/01/70/93/551017093.db2.gz NPRJPCBPKIUNOY-RUZDIDTESA-N 0 3 362.455 2.386 20 5 FEBDHN CCCN(CCN(C)C)C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000496362031 561493584 /nfs/dbraw/zinc/49/35/84/561493584.db2.gz ZTNUAYUZMGCWPQ-UHFFFAOYSA-N 0 3 353.419 2.416 20 5 FEBDHN COC(=O)c1cc(NCCN2CCN(C)C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000281763589 551140338 /nfs/dbraw/zinc/14/03/38/551140338.db2.gz ZAGQADXJRVGCQG-UHFFFAOYSA-N 0 3 364.446 2.128 20 5 FEBDHN O=C(COc1ccccc1)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000282925907 551285741 /nfs/dbraw/zinc/28/57/41/551285741.db2.gz HTRUBUUDYYZNSQ-MRXNPFEDSA-N 0 3 355.394 2.364 20 5 FEBDHN O=[N+]([O-])c1cnn(CCNCc2cccc(I)c2)c1 ZINC000283881386 551443409 /nfs/dbraw/zinc/44/34/09/551443409.db2.gz JCRNUXJNNJXOPQ-UHFFFAOYSA-N 0 3 372.166 2.186 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217223 561518975 /nfs/dbraw/zinc/51/89/75/561518975.db2.gz VDWSQQXDMNZGLO-NWDGAFQWSA-N 0 3 373.356 2.076 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCOCC2)CC1 ZINC000284654219 551599877 /nfs/dbraw/zinc/59/98/77/551599877.db2.gz FLBBLQSNIUMBMS-HNNXBMFYSA-N 0 3 350.415 2.227 20 5 FEBDHN O=c1cc(CN2CC[C@@](O)(c3cn[nH]n3)C2)c2c(ccc3ccccc32)o1 ZINC000284889158 551659263 /nfs/dbraw/zinc/65/92/63/551659263.db2.gz SYASCDSKXSGOTO-FQEVSTJZSA-N 0 3 362.389 2.158 20 5 FEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000498711806 561532491 /nfs/dbraw/zinc/53/24/91/561532491.db2.gz VOFZTUBAMSTTKN-CYBMUJFWSA-N 0 3 357.414 2.162 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000285398872 551749861 /nfs/dbraw/zinc/74/98/61/551749861.db2.gz DXJZUBXNUXODQD-SJDLMVEWSA-N 0 3 359.348 2.461 20 5 FEBDHN CCc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000286349557 551877398 /nfs/dbraw/zinc/87/73/98/551877398.db2.gz KSNPLTZAYIGXOK-IRXDYDNUSA-N 0 3 361.442 2.483 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286729318 551919721 /nfs/dbraw/zinc/91/97/21/551919721.db2.gz FMFWFCGODQBGEH-LLVKDONJSA-N 0 3 350.448 2.037 20 5 FEBDHN CNC(=O)OC[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287002577 551950484 /nfs/dbraw/zinc/95/04/84/551950484.db2.gz QCLGVIJAWHLFEE-CYBMUJFWSA-N 0 3 364.402 2.134 20 5 FEBDHN CCCN(CC)CCNC(=O)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000288122441 552095094 /nfs/dbraw/zinc/09/50/94/552095094.db2.gz JIEFZCWZLVPCHJ-MRXNPFEDSA-N 0 3 364.446 2.010 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](n2cc(C)cn2)C1 ZINC000289795333 552379989 /nfs/dbraw/zinc/37/99/89/552379989.db2.gz HYLOFWTXAGBJOK-OAHLLOKOSA-N 0 3 373.413 2.384 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCCn2ccnc2)c1 ZINC000290040688 552418144 /nfs/dbraw/zinc/41/81/44/552418144.db2.gz WKPGZNDEBJWOPS-UHFFFAOYSA-N 0 3 372.166 2.186 20 5 FEBDHN CCc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000290542123 552495577 /nfs/dbraw/zinc/49/55/77/552495577.db2.gz PHQBKPRZYLMGGQ-HNNXBMFYSA-N 0 3 357.414 2.366 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808875 552541982 /nfs/dbraw/zinc/54/19/82/552541982.db2.gz QXUROIIBLIMMFF-XJKSGUPXSA-N 0 3 369.425 2.411 20 5 FEBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501100199 561589948 /nfs/dbraw/zinc/58/99/48/561589948.db2.gz NSLVDZHOAZHQLJ-KRWDZBQOSA-N 0 3 350.419 2.080 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291666458 552648802 /nfs/dbraw/zinc/64/88/02/552648802.db2.gz GBOOMNSKFSMZIF-CYBMUJFWSA-N 0 3 359.386 2.076 20 5 FEBDHN CN1CC[C@@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292698562 552750420 /nfs/dbraw/zinc/75/04/20/552750420.db2.gz SRRQPTUCLBNGOY-MRXNPFEDSA-N 0 3 352.822 2.485 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000292725239 552752642 /nfs/dbraw/zinc/75/26/42/552752642.db2.gz GCUFLQFCLKGOTG-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CC1)OCCCO2 ZINC000293220140 552800496 /nfs/dbraw/zinc/80/04/96/552800496.db2.gz YRXJGGIKJTVLDW-UHFFFAOYSA-N 0 3 363.414 2.461 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000293499244 552829963 /nfs/dbraw/zinc/82/99/63/552829963.db2.gz VWPCOBICIQXKRM-ZDUSSCGKSA-N 0 3 374.441 2.175 20 5 FEBDHN COc1cc(CNC[C@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000295033707 552952973 /nfs/dbraw/zinc/95/29/73/552952973.db2.gz DLCTUBIIHHMUQY-OAHLLOKOSA-N 0 3 364.373 2.444 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCOC3(CCC3)C2)cc1 ZINC000295363732 552994402 /nfs/dbraw/zinc/99/44/02/552994402.db2.gz JIFNOQGRNQEGRS-ZDUSSCGKSA-N 0 3 354.428 2.060 20 5 FEBDHN Cc1nc(NCc2ccc(CN3CCN(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000296538056 553176379 /nfs/dbraw/zinc/17/63/79/553176379.db2.gz NSESSYJRYQGZCM-UHFFFAOYSA-N 0 3 356.430 2.053 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCCN(CCCO)C1 ZINC000296653930 553193673 /nfs/dbraw/zinc/19/36/73/553193673.db2.gz FSEDZPRYRUVJKY-NSHDSACASA-N 0 3 356.810 2.217 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025662 553373134 /nfs/dbraw/zinc/37/31/34/553373134.db2.gz DVHRRTAMXQWYTQ-JSGCOSHPSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025664 553373196 /nfs/dbraw/zinc/37/31/96/553373196.db2.gz DVHRRTAMXQWYTQ-OCCSQVGLSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000503424074 561641096 /nfs/dbraw/zinc/64/10/96/561641096.db2.gz FJIBUMIEGSSMCU-HUUCEWRRSA-N 0 3 369.487 2.320 20 5 FEBDHN CN(CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000503503370 561643156 /nfs/dbraw/zinc/64/31/56/561643156.db2.gz HGRYOFXQZPRCAI-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299145443 553521354 /nfs/dbraw/zinc/52/13/54/553521354.db2.gz QHPSSZBPRCWPCG-KGLIPLIRSA-N 0 3 372.429 2.026 20 5 FEBDHN COC(=O)c1cc(N2CCN(c3ccncc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301666929 553670134 /nfs/dbraw/zinc/67/01/34/553670134.db2.gz COUMOGFTRAUULZ-UHFFFAOYSA-N 0 3 356.382 2.411 20 5 FEBDHN Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301960664 553694462 /nfs/dbraw/zinc/69/44/62/553694462.db2.gz MLDVETANRPFFOK-CQSZACIVSA-N 0 3 366.849 2.475 20 5 FEBDHN Cc1nn(C)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302798452 553733817 /nfs/dbraw/zinc/73/38/17/553733817.db2.gz RMCBHYSPWUWCCE-MRXNPFEDSA-N 0 3 359.430 2.340 20 5 FEBDHN C[C@H]1CCC[C@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952532 561746929 /nfs/dbraw/zinc/74/69/29/561746929.db2.gz SAXBVXAXSSIJMV-KBPBESRZSA-N 0 3 355.460 2.289 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000331378963 554254465 /nfs/dbraw/zinc/25/44/65/554254465.db2.gz AEIXCAFYPHMATI-CQSZACIVSA-N 0 3 353.444 2.152 20 5 FEBDHN CC(C)[C@H]1CN(C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034781 554367593 /nfs/dbraw/zinc/36/75/93/554367593.db2.gz JCEDNZQAFZNLIV-MRXNPFEDSA-N 0 3 362.430 2.165 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000332075354 554374797 /nfs/dbraw/zinc/37/47/97/554374797.db2.gz FRDRMJHSQMRGEF-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN COc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000509623547 561807804 /nfs/dbraw/zinc/80/78/04/561807804.db2.gz YANFPOIRZYVZGC-ZDUSSCGKSA-N 0 3 364.373 2.389 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000332341948 554428908 /nfs/dbraw/zinc/42/89/08/554428908.db2.gz NEIGXOJDMCAGEH-UHFFFAOYSA-N 0 3 358.398 2.405 20 5 FEBDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000332461707 554450454 /nfs/dbraw/zinc/45/04/54/554450454.db2.gz JLWIYNRKAQEHFB-KBPBESRZSA-N 0 3 364.446 2.274 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572365 554474297 /nfs/dbraw/zinc/47/42/97/554474297.db2.gz DTNWCQWBJCPCIM-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362080673 554948676 /nfs/dbraw/zinc/94/86/76/554948676.db2.gz SZWXFCDVFWVRHJ-YJBOKZPZSA-N 0 3 362.474 2.061 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OCC2CC2)CC1 ZINC000363650295 555154969 /nfs/dbraw/zinc/15/49/69/555154969.db2.gz GGJCBCYNQOLTKN-HNNXBMFYSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC(=O)N2CCOCC2)CC1 ZINC000363892983 555208375 /nfs/dbraw/zinc/20/83/75/555208375.db2.gz WORPBAWCSZBZFU-UHFFFAOYSA-N 0 3 361.442 2.364 20 5 FEBDHN Cc1cc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000364048240 555240233 /nfs/dbraw/zinc/24/02/33/555240233.db2.gz BSQMOPNAVOOVRK-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN Cc1ccc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000364060218 555242285 /nfs/dbraw/zinc/24/22/85/555242285.db2.gz WPGFFWIZOAUWHE-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN N[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364204260 555269317 /nfs/dbraw/zinc/26/93/17/555269317.db2.gz ZBZPWOOLASPENL-GJZGRUSLSA-N 0 3 359.357 2.066 20 5 FEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000364386766 555303865 /nfs/dbraw/zinc/30/38/65/555303865.db2.gz RRKPNOCXHSUATC-CYBMUJFWSA-N 0 3 363.418 2.108 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364570716 555341474 /nfs/dbraw/zinc/34/14/74/555341474.db2.gz QUJXJMUFCQIKNN-YJBOKZPZSA-N 0 3 370.409 2.421 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](COC(F)F)C1 ZINC000512821315 561916926 /nfs/dbraw/zinc/91/69/26/561916926.db2.gz BHFXDSXCOOMYQB-LLVKDONJSA-N 0 3 373.356 2.493 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000513021590 561922576 /nfs/dbraw/zinc/92/25/76/561922576.db2.gz GNINAOCZPFLAFO-VFADXPBXSA-N 0 3 353.444 2.012 20 5 FEBDHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365824613 555675835 /nfs/dbraw/zinc/67/58/35/555675835.db2.gz ZAIAAVHYNAAOKP-KRWDZBQOSA-N 0 3 374.441 2.485 20 5 FEBDHN CC(=O)c1cccc(OC[C@H](O)CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000514598700 561968914 /nfs/dbraw/zinc/96/89/14/561968914.db2.gz IIHHYMMZHWNVOI-QGZVFWFLSA-N 0 3 358.394 2.369 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367325025 556018251 /nfs/dbraw/zinc/01/82/51/556018251.db2.gz AHMYDASLQVNWOV-CQSZACIVSA-N 0 3 352.822 2.167 20 5 FEBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000367783118 556137862 /nfs/dbraw/zinc/13/78/62/556137862.db2.gz KMFBCNXWTLEUOG-OAHLLOKOSA-N 0 3 355.398 2.150 20 5 FEBDHN COC(=O)C1CCN(CCCNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000515252530 562002352 /nfs/dbraw/zinc/00/23/52/562002352.db2.gz XJXTUXYRRTXWBE-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN Cc1cc(N2CCCN([C@@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368975999 556465400 /nfs/dbraw/zinc/46/54/00/556465400.db2.gz SRXRPVHXDLTUBE-HNNXBMFYSA-N 0 3 371.441 2.253 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CN(c4ccccc4)CCO3)CC2)n1 ZINC000516191917 562034975 /nfs/dbraw/zinc/03/49/75/562034975.db2.gz ZFSJTEAHDWRBDV-GOSISDBHSA-N 0 3 371.441 2.334 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c1[N+](=O)[O-] ZINC000370198405 556808155 /nfs/dbraw/zinc/80/81/55/556808155.db2.gz SDELRRWILXLKEA-MRXNPFEDSA-N 0 3 371.441 2.074 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219100 557110729 /nfs/dbraw/zinc/11/07/29/557110729.db2.gz JVCCXGCNNBQCOD-MAUKXSAKSA-N 0 3 360.458 2.001 20 5 FEBDHN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371334603 557150664 /nfs/dbraw/zinc/15/06/64/557150664.db2.gz HAYGBLFNUHERLE-RHSMWYFYSA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1cc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469455 557190853 /nfs/dbraw/zinc/19/08/53/557190853.db2.gz FMDMGNPGMAGDFT-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000371647931 557250055 /nfs/dbraw/zinc/25/00/55/557250055.db2.gz VETLBCQNIMYCEI-SJLPKXTDSA-N 0 3 364.442 2.473 20 5 FEBDHN C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000518312420 562108368 /nfs/dbraw/zinc/10/83/68/562108368.db2.gz XPPMSOBUBMGULB-HUUCEWRRSA-N 0 3 364.446 2.393 20 5 FEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000518562522 562114514 /nfs/dbraw/zinc/11/45/14/562114514.db2.gz JWKPFBOXQTXXTE-UHFFFAOYSA-N 0 3 352.410 2.103 20 5 FEBDHN CC[C@@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047413 557365382 /nfs/dbraw/zinc/36/53/82/557365382.db2.gz QNIPERXCKYSECA-IEBWSBKVSA-N 0 3 362.474 2.042 20 5 FEBDHN O=C1C[C@H]([C@@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000372333764 557443035 /nfs/dbraw/zinc/44/30/35/557443035.db2.gz PJALTZBXYPHPCW-ZFWWWQNUSA-N 0 3 371.397 2.135 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000372521890 557491635 /nfs/dbraw/zinc/49/16/35/557491635.db2.gz KRYIPIPQPIAIOZ-NXHRZFHOSA-N 0 3 361.442 2.143 20 5 FEBDHN CN1CCC(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)CC1 ZINC000372529574 557494582 /nfs/dbraw/zinc/49/45/82/557494582.db2.gz RSTQAMKMFSINNV-MJGOQNOKSA-N 0 3 372.469 2.336 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC000372770151 557559144 /nfs/dbraw/zinc/55/91/44/557559144.db2.gz RDQHZAVCBBVFSS-MRXNPFEDSA-N 0 3 355.442 2.359 20 5 FEBDHN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@H]1N1CCN(C)CC1 ZINC000373063880 557619952 /nfs/dbraw/zinc/61/99/52/557619952.db2.gz RADJLKBSQAVBJU-WMLDXEAASA-N 0 3 359.474 2.025 20 5 FEBDHN Cc1ccc(OC[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000373227581 557653975 /nfs/dbraw/zinc/65/39/75/557653975.db2.gz GGTGORYSYMLQLH-KRWDZBQOSA-N 0 3 374.441 2.485 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000373788035 557759279 /nfs/dbraw/zinc/75/92/79/557759279.db2.gz JTHBETSOCHUPDX-MRXNPFEDSA-N 0 3 362.474 2.063 20 5 FEBDHN COCCN(CCN(C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520562498 562159054 /nfs/dbraw/zinc/15/90/54/562159054.db2.gz VHVCIJDKFZWUBH-GFCCVEGCSA-N 0 3 373.837 2.052 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550188 557898367 /nfs/dbraw/zinc/89/83/67/557898367.db2.gz HPRUKOJYYVAODU-OLZOCXBDSA-N 0 3 362.352 2.207 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCOc2ccccc2)cc1 ZINC000521227419 562172348 /nfs/dbraw/zinc/17/23/48/562172348.db2.gz KDUBULDFSOMJJX-UHFFFAOYSA-N 0 3 364.423 2.427 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375886025 558093727 /nfs/dbraw/zinc/09/37/27/558093727.db2.gz XSOUSHNIMSGEEB-KRWDZBQOSA-N 0 3 360.458 2.144 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887113 558093861 /nfs/dbraw/zinc/09/38/61/558093861.db2.gz BVVGGQLARIFQRV-GOSISDBHSA-N 0 3 362.474 2.074 20 5 FEBDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376055654 558120574 /nfs/dbraw/zinc/12/05/74/558120574.db2.gz JNRXZZZBTYSDKE-GXTWGEPZSA-N 0 3 353.444 2.202 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451854 558175009 /nfs/dbraw/zinc/17/50/09/558175009.db2.gz XIRZQDCBLLTREX-RDTXWAMCSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H](C)N2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535187 562199515 /nfs/dbraw/zinc/19/95/15/562199515.db2.gz VBLJIABGXCLCQW-OLZOCXBDSA-N 0 3 351.451 2.177 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378113297 558484259 /nfs/dbraw/zinc/48/42/59/558484259.db2.gz PQJHGYUNTRZFOK-MTCRFPMVSA-N 0 3 372.469 2.235 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378118394 558485322 /nfs/dbraw/zinc/48/53/22/558485322.db2.gz ZVZAKQKOCIXOLT-LJQANCHMSA-N 0 3 374.485 2.154 20 5 FEBDHN Cc1nn(CCC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303264 558524443 /nfs/dbraw/zinc/52/44/43/558524443.db2.gz CIPSJWACQMXROL-IAGOWNOFSA-N 0 3 371.441 2.012 20 5 FEBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378345118 558535028 /nfs/dbraw/zinc/53/50/28/558535028.db2.gz HFZKAGMHOFHUBI-CQSZACIVSA-N 0 3 361.446 2.227 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524737077 562233523 /nfs/dbraw/zinc/23/35/23/562233523.db2.gz FPKFBPZPJNBACQ-GXTWGEPZSA-N 0 3 357.414 2.208 20 5 FEBDHN COc1cc(C(=O)N2CCCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1OC ZINC000525054763 562239769 /nfs/dbraw/zinc/23/97/69/562239769.db2.gz GZRYVQWGVWOAAP-CYBMUJFWSA-N 0 3 351.403 2.168 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525060819 562239998 /nfs/dbraw/zinc/23/99/98/562239998.db2.gz ZRNHCOCNUVSOOZ-CYBMUJFWSA-N 0 3 363.414 2.359 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000525385597 562246964 /nfs/dbraw/zinc/24/69/64/562246964.db2.gz CJSBUOTVBNKJHG-UONOGXRCSA-N 0 3 355.460 2.397 20 5 FEBDHN CC[C@H](C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000413072390 559075131 /nfs/dbraw/zinc/07/51/31/559075131.db2.gz PCRNQINELGUZEZ-HUUCEWRRSA-N 0 3 365.430 2.434 20 5 FEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000413152947 559083560 /nfs/dbraw/zinc/08/35/60/559083560.db2.gz JNIBNHXXZVJZBC-PBHICJAKSA-N 0 3 360.389 2.424 20 5 FEBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414484828 559168239 /nfs/dbraw/zinc/16/82/39/559168239.db2.gz HFNGJSBPLOWHDQ-OAHLLOKOSA-N 0 3 373.409 2.391 20 5 FEBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415496289 559243305 /nfs/dbraw/zinc/24/33/05/559243305.db2.gz KKFYXFLAIKBOLS-CYBMUJFWSA-N 0 3 364.446 2.465 20 5 FEBDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000419816954 559460842 /nfs/dbraw/zinc/46/08/42/559460842.db2.gz LPYRNWUSUVLCJX-UHFFFAOYSA-N 0 3 362.430 2.041 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420373287 559483794 /nfs/dbraw/zinc/48/37/94/559483794.db2.gz FYZBYQBHVPOBIB-KRWDZBQOSA-N 0 3 374.445 2.269 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420391303 559484971 /nfs/dbraw/zinc/48/49/71/559484971.db2.gz RXUDIGSSWQPCHE-ULFGMLNVSA-N 0 3 372.400 2.488 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@H]1c1ccccc1 ZINC000420406265 559485909 /nfs/dbraw/zinc/48/59/09/559485909.db2.gz NLHZNJWLKVPMJP-KRWDZBQOSA-N 0 3 354.410 2.488 20 5 FEBDHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420457511 559488558 /nfs/dbraw/zinc/48/85/58/559488558.db2.gz OQYGTSSAEAFMLH-BDAKNGLRSA-N 0 3 367.349 2.019 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000420470743 559489325 /nfs/dbraw/zinc/48/93/25/559489325.db2.gz XLXBFDCLEOSFAJ-MRXNPFEDSA-N 0 3 363.439 2.444 20 5 FEBDHN C[NH+](C)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420746041 559501961 /nfs/dbraw/zinc/50/19/61/559501961.db2.gz MQJJUJYWVDGBDQ-UHFFFAOYSA-N 0 3 361.851 2.399 20 5 FEBDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019013 559520040 /nfs/dbraw/zinc/52/00/40/559520040.db2.gz NAJIDJHPUPUWIS-ZIAGYGMSSA-N 0 3 365.430 2.056 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424012050 559650963 /nfs/dbraw/zinc/65/09/63/559650963.db2.gz OGKJVNWXEQQLHA-LSDHHAIUSA-N 0 3 359.357 2.309 20 5 FEBDHN COc1c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428529638 559777368 /nfs/dbraw/zinc/77/73/68/559777368.db2.gz HOOIREVVRXPFPQ-OAHLLOKOSA-N 0 3 371.393 2.422 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429322671 559795914 /nfs/dbraw/zinc/79/59/14/559795914.db2.gz NNUAWNRDBZNWFM-LBPRGKRZSA-N 0 3 357.366 2.005 20 5 FEBDHN COc1ccc(NC(=O)CN2CCNCc3ccccc32)c([N+](=O)[O-])c1 ZINC000430960078 559831476 /nfs/dbraw/zinc/83/14/76/559831476.db2.gz GVMQTJZPASJXNY-UHFFFAOYSA-N 0 3 356.382 2.152 20 5 FEBDHN O=C(CNc1ncc([N+](=O)[O-])cc1Cl)NCCN1CCCCCC1 ZINC000431496558 559840229 /nfs/dbraw/zinc/84/02/29/559840229.db2.gz STABDYZDIYOJSH-UHFFFAOYSA-N 0 3 355.826 2.047 20 5 FEBDHN C[C@@H]1CN(CCCNc2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000432862361 559866585 /nfs/dbraw/zinc/86/65/85/559866585.db2.gz DSJPMLJFNSUOPM-LLVKDONJSA-N 0 3 373.251 2.087 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077812 559871161 /nfs/dbraw/zinc/87/11/61/559871161.db2.gz SULZRNGTHSZXGP-CABCVRRESA-N 0 3 358.402 2.418 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433097589 559871672 /nfs/dbraw/zinc/87/16/72/559871672.db2.gz NZHWFNBNEWJZNO-LBPRGKRZSA-N 0 3 371.397 2.455 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000433371795 559878907 /nfs/dbraw/zinc/87/89/07/559878907.db2.gz FRQOLRKTBOIDON-YOEHRIQHSA-N 0 3 357.414 2.093 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000434035968 559892845 /nfs/dbraw/zinc/89/28/45/559892845.db2.gz KCZBWWLQSNCHOP-CHWSQXEVSA-N 0 3 367.450 2.061 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436316185 559939641 /nfs/dbraw/zinc/93/96/41/559939641.db2.gz RBBWUOMKGKOMMX-NSHDSACASA-N 0 3 361.368 2.447 20 5 FEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595718 560165013 /nfs/dbraw/zinc/16/50/13/560165013.db2.gz AOOKRYDVMNOOKA-FGTMMUONSA-N 0 3 350.415 2.382 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448691402 560194566 /nfs/dbraw/zinc/19/45/66/560194566.db2.gz QGNNFGIJEDGPDC-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449507628 560232364 /nfs/dbraw/zinc/23/23/64/560232364.db2.gz FMOCRMWLOKGCQW-CABCVRRESA-N 0 3 350.371 2.283 20 5 FEBDHN CC(C)(C)CC(C)(C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000450883670 560276643 /nfs/dbraw/zinc/27/66/43/560276643.db2.gz XKUUSGBEZWMVQN-UHFFFAOYSA-N 0 3 363.462 2.426 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481131 560309615 /nfs/dbraw/zinc/30/96/15/560309615.db2.gz AETHAVKMGGZHAQ-WMLDXEAASA-N 0 3 351.403 2.335 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593916 560316505 /nfs/dbraw/zinc/31/65/05/560316505.db2.gz IUZPIZLYCQFICM-KBXCAEBGSA-N 0 3 367.446 2.421 20 5 FEBDHN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000452581821 560368343 /nfs/dbraw/zinc/36/83/43/560368343.db2.gz UNJDLACKDMGLES-NSHDSACASA-N 0 3 353.369 2.358 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000454107737 560429804 /nfs/dbraw/zinc/42/98/04/560429804.db2.gz RQCAOKYDBRWYFZ-HNNXBMFYSA-N 0 3 362.430 2.037 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455145233 560471723 /nfs/dbraw/zinc/47/17/23/560471723.db2.gz RJROQZQVTAOIJP-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457899751 560593175 /nfs/dbraw/zinc/59/31/75/560593175.db2.gz KFMMRVGLMYQVEV-HNNXBMFYSA-N 0 3 350.419 2.228 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)n1 ZINC000458301859 560613972 /nfs/dbraw/zinc/61/39/72/560613972.db2.gz WHZWGLWOHQURNO-UHFFFAOYSA-N 0 3 365.365 2.143 20 5 FEBDHN CC[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514707 560628774 /nfs/dbraw/zinc/62/87/74/560628774.db2.gz RLIWCSKMIAYFGW-DOTOQJQBSA-N 0 3 364.446 2.192 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525339 560691993 /nfs/dbraw/zinc/69/19/93/560691993.db2.gz IJVAUDFIYSNTEP-ROUUACIJSA-N 0 3 374.441 2.036 20 5 FEBDHN CCOc1cc(C(=O)NC2(CN(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000466575186 560890368 /nfs/dbraw/zinc/89/03/68/560890368.db2.gz IQYOYUOBVDRWNH-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467050086 560902343 /nfs/dbraw/zinc/90/23/43/560902343.db2.gz WQASMQDKQMHCKO-VXGBXAGGSA-N 0 3 359.473 2.070 20 5 FEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCCN1C(=O)NC2(CCCC2)C1=O ZINC000468596097 560933653 /nfs/dbraw/zinc/93/36/53/560933653.db2.gz BGBSLGGGODVYOV-KAMYIIQDSA-N 0 3 372.425 2.452 20 5 FEBDHN C[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105888 560974583 /nfs/dbraw/zinc/97/45/83/560974583.db2.gz RIYNAVJCNBKPJI-ZIAGYGMSSA-N 0 3 367.421 2.455 20 5 FEBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000470673092 560987121 /nfs/dbraw/zinc/98/71/21/560987121.db2.gz FGAVOXJQULAHNT-HNNXBMFYSA-N 0 3 357.414 2.383 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1nnnn1CC1CC1 ZINC000471602497 561008325 /nfs/dbraw/zinc/00/83/25/561008325.db2.gz OOVNQKPSXZTVGQ-HOCLYGCPSA-N 0 3 356.430 2.492 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1nnnn1CC1CC1 ZINC000471602498 561008336 /nfs/dbraw/zinc/00/83/36/561008336.db2.gz OOVNQKPSXZTVGQ-ZBFHGGJFSA-N 0 3 356.430 2.492 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000472559879 561029264 /nfs/dbraw/zinc/02/92/64/561029264.db2.gz HWEPMXTWSQBIKP-NEPJUHHUSA-N 0 3 366.393 2.052 20 5 FEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccccc2OCCO)n1 ZINC000472620037 561031302 /nfs/dbraw/zinc/03/13/02/561031302.db2.gz GXEWEVOLHTYVKI-HZPDHXFCSA-N 0 3 360.414 2.436 20 5 FEBDHN CN1CC[C@H](Cn2nnnc2Sc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473514992 561051620 /nfs/dbraw/zinc/05/16/20/561051620.db2.gz ZMSRAMRSEPBZBB-NSHDSACASA-N 0 3 371.426 2.232 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985008 561062945 /nfs/dbraw/zinc/06/29/45/561062945.db2.gz RHOAOBYDKDNWFK-IUODEOHRSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000474351661 561071829 /nfs/dbraw/zinc/07/18/29/561071829.db2.gz MCBHHIMCWPLEIW-HNNXBMFYSA-N 0 3 372.377 2.240 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366095 561072294 /nfs/dbraw/zinc/07/22/94/561072294.db2.gz AKVOXOHWXTUFEM-OCCSQVGLSA-N 0 3 352.387 2.194 20 5 FEBDHN CC1CCN(C[C@@H](O)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000476318256 561116395 /nfs/dbraw/zinc/11/63/95/561116395.db2.gz AIARPOOBAUNRLU-HNNXBMFYSA-N 0 3 363.458 2.081 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000530441460 562411343 /nfs/dbraw/zinc/41/13/43/562411343.db2.gz GSTNRDQSSXLNAA-HNNXBMFYSA-N 0 3 366.414 2.177 20 5 FEBDHN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000533303124 562504418 /nfs/dbraw/zinc/50/44/18/562504418.db2.gz FQRANZXEOXJZON-CYBMUJFWSA-N 0 3 352.822 2.355 20 5 FEBDHN O=C(NCCNc1ccncc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000535259214 562554332 /nfs/dbraw/zinc/55/43/32/562554332.db2.gz CBIZZOCRYLLONR-UHFFFAOYSA-N 0 3 367.312 2.247 20 5 FEBDHN CN(CC1CC1)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000541192131 562605501 /nfs/dbraw/zinc/60/55/01/562605501.db2.gz ALZHNBQCZRFMIB-LBPRGKRZSA-N 0 3 373.500 2.228 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(N2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000541626433 562616761 /nfs/dbraw/zinc/61/67/61/562616761.db2.gz JIPSTVWQQCNDQP-UHFFFAOYSA-N 0 3 362.474 2.457 20 5 FEBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCN(CC2CCC2)CC1 ZINC000549729414 562638606 /nfs/dbraw/zinc/63/86/06/562638606.db2.gz KZPKQKALGYLBPT-UHFFFAOYSA-N 0 3 357.414 2.419 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000569109338 568277711 /nfs/dbraw/zinc/27/77/11/568277711.db2.gz ZKDXULBLDAFNPG-ODHXBGJQSA-N 0 3 357.414 2.419 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@H]1CN ZINC000569222480 568311672 /nfs/dbraw/zinc/31/16/72/568311672.db2.gz HSPURWMMWOFSQS-GOSISDBHSA-N 0 3 354.410 2.400 20 5 FEBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736264021 598500691 /nfs/dbraw/zinc/50/06/91/598500691.db2.gz AZDQTIXXXVNIBD-NSHDSACASA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736264021 598500693 /nfs/dbraw/zinc/50/06/93/598500693.db2.gz AZDQTIXXXVNIBD-NSHDSACASA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736264021 598500695 /nfs/dbraw/zinc/50/06/95/598500695.db2.gz AZDQTIXXXVNIBD-NSHDSACASA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736264021 598500697 /nfs/dbraw/zinc/50/06/97/598500697.db2.gz AZDQTIXXXVNIBD-NSHDSACASA-N 0 3 360.422 2.092 20 5 FEBDHN C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668331 599589862 /nfs/dbraw/zinc/58/98/62/599589862.db2.gz RRSRBDHPYDHNRV-MNOVXSKESA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668331 599589864 /nfs/dbraw/zinc/58/98/64/599589864.db2.gz RRSRBDHPYDHNRV-MNOVXSKESA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668331 599589866 /nfs/dbraw/zinc/58/98/66/599589866.db2.gz RRSRBDHPYDHNRV-MNOVXSKESA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668331 599589868 /nfs/dbraw/zinc/58/98/68/599589868.db2.gz RRSRBDHPYDHNRV-MNOVXSKESA-N 0 3 368.401 2.218 20 5 FEBDHN C[NH+](C)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000821581358 606645005 /nfs/dbraw/zinc/64/50/05/606645005.db2.gz JIBZIATUWXIUKO-HNNXBMFYSA-N 0 3 367.413 2.360 20 5 FEBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000825866055 608380800 /nfs/dbraw/zinc/38/08/00/608380800.db2.gz QBEZCSTZUCPVSW-UHFFFAOYSA-N 0 3 367.413 2.343 20 5 FEBDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568809 608470246 /nfs/dbraw/zinc/47/02/46/608470246.db2.gz DCPNWJULRTZVKI-BZNIZROVSA-N 0 3 354.370 2.159 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2C1 ZINC001048814447 675015451 /nfs/dbraw/zinc/01/54/51/675015451.db2.gz LRWFIMOFSHTCQJ-FAXLKDOZSA-N 0 3 367.808 2.035 20 5 FEBDHN Cc1c(C(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000054779574 670341087 /nfs/dbraw/zinc/34/10/87/670341087.db2.gz VBLVVEDQHDJBRF-UHFFFAOYSA-N 0 3 350.375 2.273 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000076250138 670545800 /nfs/dbraw/zinc/54/58/00/670545800.db2.gz FDHKJHYFCDXKRN-UHFFFAOYSA-N 0 3 350.375 2.417 20 5 FEBDHN COc1ncc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000565417362 675119780 /nfs/dbraw/zinc/11/97/80/675119780.db2.gz ROWLLVVLJPNAJN-GFCCVEGCSA-N 0 3 367.789 2.181 20 5 FEBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)c(F)c1N1CCOCC1 ZINC000572617131 671024640 /nfs/dbraw/zinc/02/46/40/671024640.db2.gz SRYZMIVRXYPLLB-UHFFFAOYSA-N 0 3 352.410 2.468 20 5 FEBDHN CC(COC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)[N+](=O)[O-] ZINC000817740079 675166367 /nfs/dbraw/zinc/16/63/67/675166367.db2.gz VERDQTWGJFTOFX-SECBINFHSA-N 0 3 351.309 2.461 20 5 FEBDHN CCc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000578009291 671634225 /nfs/dbraw/zinc/63/42/25/671634225.db2.gz NWDMYPIZXWJZKB-HUUCEWRRSA-N 0 3 353.444 2.062 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(F)cc2)cc1 ZINC000580490955 671812071 /nfs/dbraw/zinc/81/20/71/671812071.db2.gz AZJFJSNOQZJSTD-UHFFFAOYSA-N 0 3 352.387 2.340 20 5 FEBDHN COC[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582032164 671960896 /nfs/dbraw/zinc/96/08/96/671960896.db2.gz UYMSVBLGFQLXKK-MRVPVSSYSA-N 0 3 350.156 2.324 20 5 FEBDHN COc1cc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1[O-] ZINC000589938571 672549361 /nfs/dbraw/zinc/54/93/61/672549361.db2.gz WBKKPXJNSFLAOY-NOZJJQNGSA-N 0 3 350.293 2.245 20 5 FEBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591983408 672728922 /nfs/dbraw/zinc/72/89/22/672728922.db2.gz XRGNUBICVNAKKT-SNVBAGLBSA-N 0 3 360.336 2.170 20 5 FEBDHN [NH3+]C1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000592366697 672792599 /nfs/dbraw/zinc/79/25/99/672792599.db2.gz HOHWAGIOXLYFAQ-UHFFFAOYSA-N 0 3 367.349 2.162 20 5 FEBDHN N[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1F ZINC000595261108 673214905 /nfs/dbraw/zinc/21/49/05/673214905.db2.gz RGPBNOFNUOXZOB-VXGBXAGGSA-N 0 3 350.375 2.230 20 5 FEBDHN C[C@@H](O)C1(NCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000597234431 673458928 /nfs/dbraw/zinc/45/89/28/673458928.db2.gz LISRJUPHSQCECS-MRVPVSSYSA-N 0 3 362.167 2.202 20 5 FEBDHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000539479475 673492364 /nfs/dbraw/zinc/49/23/64/673492364.db2.gz ICFPMYUMJXLIIC-VBNZEHGJSA-N 0 3 366.487 2.208 20 5 FEBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCN1C1CCCCC1 ZINC000599127965 673635250 /nfs/dbraw/zinc/63/52/50/673635250.db2.gz SHDWXXNQZQHGOS-AWEZNQCLSA-N 0 3 368.459 2.061 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCN(C)c3ccncc32)c([N+](=O)[O-])s1 ZINC000601367412 673849458 /nfs/dbraw/zinc/84/94/58/673849458.db2.gz QVZAAXYKVDZVMK-UHFFFAOYSA-N 0 3 354.413 2.005 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601374106 673850854 /nfs/dbraw/zinc/85/08/54/673850854.db2.gz ALDZRYBPFOUKAD-VXGBXAGGSA-N 0 3 359.473 2.070 20 5 FEBDHN O=[N+]([O-])c1sc(CN[C@@H](CO)[C@H]2CCCOC2)cc1Br ZINC000602690476 673909506 /nfs/dbraw/zinc/90/95/06/673909506.db2.gz NNEWGHGBRSCWBO-KWQFWETISA-N 0 3 365.249 2.296 20 5 FEBDHN CC(C)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000839720189 680774351 /nfs/dbraw/zinc/77/43/51/680774351.db2.gz IRWBHNVPGDLFSV-MSQAHXEGSA-N 0 3 353.369 2.270 20 5 FEBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849852 680857403 /nfs/dbraw/zinc/85/74/03/680857403.db2.gz RSNPDAHEMAPVQM-SJKOYZFVSA-N 0 3 364.423 2.383 20 5 FEBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2ccc(Cl)cc2)C1 ZINC001042710723 680539578 /nfs/dbraw/zinc/53/95/78/680539578.db2.gz GVSQFLRERYOZDI-HZPDHXFCSA-N 0 3 351.834 2.080 20 5 FEBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001005377307 680573305 /nfs/dbraw/zinc/57/33/05/680573305.db2.gz ANRORBFWWFLUGM-CZUORRHYSA-N 0 3 353.369 2.053 20 5 FEBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cc(F)ccc2F)CC1 ZINC001045436179 680629332 /nfs/dbraw/zinc/62/93/32/680629332.db2.gz LJXJSUPMLURNTA-UKRRQHHQSA-N 0 3 353.369 2.101 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000843856853 681022469 /nfs/dbraw/zinc/02/24/69/681022469.db2.gz LTNJINPWEXJXGJ-ZDUSSCGKSA-N 0 3 350.375 2.414 20 5 FEBDHN COCCn1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845879278 681158840 /nfs/dbraw/zinc/15/88/40/681158840.db2.gz IHIWVVNCFXHTIP-ABAIWWIYSA-N 0 3 351.334 2.232 20 5 FEBDHN CCC[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000776595870 681413179 /nfs/dbraw/zinc/41/31/79/681413179.db2.gz BSWDXXPRUQOQHE-MSOLQXFVSA-N 0 3 351.447 2.061 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000934722921 681615927 /nfs/dbraw/zinc/61/59/27/681615927.db2.gz DPXOOKCNPHUOMM-CQSZACIVSA-N 0 3 365.455 2.300 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000935112875 681690639 /nfs/dbraw/zinc/69/06/39/681690639.db2.gz JJIZXPZCIIRSNF-GXTWGEPZSA-N 0 3 355.485 2.434 20 5 FEBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCN(CC)C1 ZINC000850607059 681925356 /nfs/dbraw/zinc/92/53/56/681925356.db2.gz OXPCHRBLQCEKFE-NSHDSACASA-N 0 3 368.821 2.129 20 5 FEBDHN CC(COC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[N+](=O)[O-] ZINC000851036917 682003829 /nfs/dbraw/zinc/00/38/29/682003829.db2.gz NPIBJHMGMXRTHD-FXAINCCUSA-N 0 3 359.176 2.130 20 5 FEBDHN CCC[N@@H+]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820700 682147846 /nfs/dbraw/zinc/14/78/46/682147846.db2.gz FTTUKRDXXPBGDF-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN CCC[N@H+]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820700 682147849 /nfs/dbraw/zinc/14/78/49/682147849.db2.gz FTTUKRDXXPBGDF-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000930158923 683687010 /nfs/dbraw/zinc/68/70/10/683687010.db2.gz ARJUQYNBMBFDFL-GJZGRUSLSA-N 0 3 368.821 2.311 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000930158930 683687152 /nfs/dbraw/zinc/68/71/52/683687152.db2.gz ARJUQYNBMBFDFL-LSDHHAIUSA-N 0 3 368.821 2.311 20 5 FEBDHN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000865008361 683921969 /nfs/dbraw/zinc/92/19/69/683921969.db2.gz YVWXFKXAOIMDQB-NSHDSACASA-N 0 3 368.231 2.253 20 5 FEBDHN CN1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183358 683947023 /nfs/dbraw/zinc/94/70/23/683947023.db2.gz DBGXWMQYNFQIQU-NSHDSACASA-N 0 3 356.220 2.110 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]12COC(=O)N1CCOC2 ZINC000872091447 684918935 /nfs/dbraw/zinc/91/89/35/684918935.db2.gz HQSKASZDUCSSGK-ZBEGNZNMSA-N 0 3 367.427 2.189 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(CC2CCOCC2)C1 ZINC000905974901 691204463 /nfs/dbraw/zinc/20/44/63/691204463.db2.gz YERWGDNILUVCEO-INIZCTEOSA-N 0 3 350.415 2.083 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC(CC2CCOCC2)C1 ZINC000905974902 691204525 /nfs/dbraw/zinc/20/45/25/691204525.db2.gz YERWGDNILUVCEO-MRXNPFEDSA-N 0 3 350.415 2.083 20 5 FEBDHN COCCN1CCC(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906416661 691266013 /nfs/dbraw/zinc/26/60/13/691266013.db2.gz QNONPYRFVFBFIE-UHFFFAOYSA-N 0 3 369.849 2.408 20 5 FEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@H](C)C1 ZINC000910281872 691910458 /nfs/dbraw/zinc/91/04/58/691910458.db2.gz FHLZRCMIXOFBRI-CYBMUJFWSA-N 0 3 367.471 2.236 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902114 721520782 /nfs/dbraw/zinc/52/07/82/721520782.db2.gz ZGLLPAZGMFXANQ-ZBFHGGJFSA-N 0 3 358.373 2.471 20 5 FEBDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164905970 721563003 /nfs/dbraw/zinc/56/30/03/721563003.db2.gz IHQXKDWKIAGPRW-GDBMZVCRSA-N 0 3 373.388 2.174 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984070 722105716 /nfs/dbraw/zinc/10/57/16/722105716.db2.gz RRDHSUWDEIFYLA-DLBZAZTESA-N 0 3 369.425 2.112 20 5 FEBDHN COC(=O)c1cc(C(=O)NCc2ccccc2CN(C)C)cc([N+](=O)[O-])c1 ZINC000009917213 539510052 /nfs/dbraw/zinc/51/00/52/539510052.db2.gz MWZXJBSVEVTABQ-UHFFFAOYSA-N 0 3 371.393 2.373 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000016102330 539627585 /nfs/dbraw/zinc/62/75/85/539627585.db2.gz MCKQPWFMYSRPNO-UHFFFAOYSA-N 0 3 371.393 2.358 20 5 FEBDHN CN(CCOc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025699113 539766583 /nfs/dbraw/zinc/76/65/83/539766583.db2.gz ZWKXCMLBURGHBQ-INIZCTEOSA-N 0 3 364.373 2.484 20 5 FEBDHN Cc1noc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053640275 540547025 /nfs/dbraw/zinc/54/70/25/540547025.db2.gz IMPADBJNJARMBW-UHFFFAOYSA-N 0 3 359.386 2.494 20 5 FEBDHN COc1cc(C(=O)NC2CCN(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000054371115 540586277 /nfs/dbraw/zinc/58/62/77/540586277.db2.gz DVCJFWPSHVYAMR-UHFFFAOYSA-N 0 3 359.329 2.029 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064334086 541201741 /nfs/dbraw/zinc/20/17/41/541201741.db2.gz PMBJJAAMMMWKCR-AEGPPILISA-N 0 3 365.455 2.055 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000068902659 541638531 /nfs/dbraw/zinc/63/85/31/541638531.db2.gz KXYGJRDUQPJQMD-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068903355 541638981 /nfs/dbraw/zinc/63/89/81/541638981.db2.gz XDNZNDCZWUSDBK-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410587 541765340 /nfs/dbraw/zinc/76/53/40/541765340.db2.gz SVZUGJYZAPSBKU-CQSZACIVSA-N 0 3 358.446 2.224 20 5 FEBDHN COc1cc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000075675533 542196963 /nfs/dbraw/zinc/19/69/63/542196963.db2.gz MAJLNAHZFVPVIE-CQSZACIVSA-N 0 3 366.443 2.015 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000085545550 542729027 /nfs/dbraw/zinc/72/90/27/542729027.db2.gz OZWRCJWFWWCMEB-JKSUJKDBSA-N 0 3 362.430 2.356 20 5 FEBDHN CN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000087315652 542744839 /nfs/dbraw/zinc/74/48/39/542744839.db2.gz CCHSZMLAYRXPMU-NSHDSACASA-N 0 3 356.220 2.110 20 5 FEBDHN CCc1nn(C)c(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478775 542810145 /nfs/dbraw/zinc/81/01/45/542810145.db2.gz WAWMGYINBKYNKI-KBPBESRZSA-N 0 3 365.478 2.216 20 5 FEBDHN C[C@@H](O)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000104683946 543137544 /nfs/dbraw/zinc/13/75/44/543137544.db2.gz OGNNXYCWBKUJSQ-CQSZACIVSA-N 0 3 361.442 2.499 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000111461577 543402126 /nfs/dbraw/zinc/40/21/26/543402126.db2.gz HEQHPKYTNILHGB-OAHLLOKOSA-N 0 3 350.419 2.277 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000114140782 543505105 /nfs/dbraw/zinc/50/51/05/543505105.db2.gz SYUSGBCJRJEOTR-UHFFFAOYSA-N 0 3 368.865 2.396 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115437134 543567781 /nfs/dbraw/zinc/56/77/81/543567781.db2.gz BJURRVIAGQNJHG-CQSZACIVSA-N 0 3 357.414 2.194 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000122830348 543726202 /nfs/dbraw/zinc/72/62/02/543726202.db2.gz DGNDGPBPWPRNHI-MRXNPFEDSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000123061050 543740261 /nfs/dbraw/zinc/74/02/61/543740261.db2.gz KURISPHTBNBAJA-UHFFFAOYSA-N 0 3 374.397 2.025 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123897239 543789817 /nfs/dbraw/zinc/78/98/17/543789817.db2.gz YILCWGZIQKIPKK-DOMZBBRYSA-N 0 3 363.414 2.326 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000125675362 543895502 /nfs/dbraw/zinc/89/55/02/543895502.db2.gz WQASMQDKQMHCKO-NEPJUHHUSA-N 0 3 359.473 2.070 20 5 FEBDHN CN(C)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1cccs1 ZINC000127507311 543997753 /nfs/dbraw/zinc/99/77/53/543997753.db2.gz TUKIMXVTOWTVEP-GFCCVEGCSA-N 0 3 370.456 2.019 20 5 FEBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2ccncc2)CC1 ZINC000129888198 544130830 /nfs/dbraw/zinc/13/08/30/544130830.db2.gz SAIMSIYXFNYGIP-UHFFFAOYSA-N 0 3 351.366 2.434 20 5 FEBDHN COCCN1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000130279926 544145101 /nfs/dbraw/zinc/14/51/01/544145101.db2.gz CGWZQDWMWABKBR-UHFFFAOYSA-N 0 3 351.403 2.213 20 5 FEBDHN COc1cc(CN[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833650 544166883 /nfs/dbraw/zinc/16/68/83/544166883.db2.gz URFCIHIFEJOWQN-GHMZBOCLSA-N 0 3 373.356 2.339 20 5 FEBDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000143779154 544424069 /nfs/dbraw/zinc/42/40/69/544424069.db2.gz IWFGITOVVVXDFD-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000149910885 544460532 /nfs/dbraw/zinc/46/05/32/544460532.db2.gz LYZASFASCSNTQT-WMLDXEAASA-N 0 3 371.441 2.442 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247545870 549354186 /nfs/dbraw/zinc/35/41/86/549354186.db2.gz YILCWGZIQKIPKK-SWLSCSKDSA-N 0 3 363.414 2.326 20 5 FEBDHN C[C@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979199 327619605 /nfs/dbraw/zinc/61/96/05/327619605.db2.gz VVTPSQYFNIDWQL-IINYFYTJSA-N 0 3 361.851 2.434 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000182744741 327787237 /nfs/dbraw/zinc/78/72/37/327787237.db2.gz AVQJQGJMGVIQQE-INIZCTEOSA-N 0 3 360.458 2.204 20 5 FEBDHN CCOC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185167146 327903672 /nfs/dbraw/zinc/90/36/72/327903672.db2.gz PQCADLUQOKOUMI-UHFFFAOYSA-N 0 3 367.377 2.338 20 5 FEBDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000186681808 327975881 /nfs/dbraw/zinc/97/58/81/327975881.db2.gz LKSTUUPZWDXEDG-QGZVFWFLSA-N 0 3 351.403 2.491 20 5 FEBDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000188245305 328075608 /nfs/dbraw/zinc/07/56/08/328075608.db2.gz SZKCISJYTZRJIW-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188263750 328076571 /nfs/dbraw/zinc/07/65/71/328076571.db2.gz HNFUUWOYUKJGFY-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000189384600 328144745 /nfs/dbraw/zinc/14/47/45/328144745.db2.gz QNZRXYKLUWKHJH-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN COc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000189477042 328150720 /nfs/dbraw/zinc/15/07/20/328150720.db2.gz BVQQSENJXVGTNK-LBPRGKRZSA-N 0 3 355.410 2.020 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190030991 328183789 /nfs/dbraw/zinc/18/37/89/328183789.db2.gz MGTIEWOICBOROB-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)n1 ZINC000191599849 328273507 /nfs/dbraw/zinc/27/35/07/328273507.db2.gz JHHRONARLNUGLF-UHFFFAOYSA-N 0 3 359.430 2.324 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OCCN(C)C)n1 ZINC000191627391 328274657 /nfs/dbraw/zinc/27/46/57/328274657.db2.gz RZHCZVINCUHIRT-UHFFFAOYSA-N 0 3 361.402 2.312 20 5 FEBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191810624 328283213 /nfs/dbraw/zinc/28/32/13/328283213.db2.gz WYNKSYVCZDDTRY-ZDUSSCGKSA-N 0 3 351.451 2.442 20 5 FEBDHN CC(C)[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940088 328347924 /nfs/dbraw/zinc/34/79/24/328347924.db2.gz TVZCCSLCIPYFNQ-ROUUACIJSA-N 0 3 361.442 2.445 20 5 FEBDHN CC(C)[C@H](CO)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090551817 325362672 /nfs/dbraw/zinc/36/26/72/325362672.db2.gz NZDOUPRJJMHWOP-SFHVURJKSA-N 0 3 359.426 2.276 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112917599 325812899 /nfs/dbraw/zinc/81/28/99/325812899.db2.gz CLHYORIZROQQTO-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000118099131 326081375 /nfs/dbraw/zinc/08/13/75/326081375.db2.gz ROZAWFVMOVCILO-MRXNPFEDSA-N 0 3 364.446 2.324 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)s1 ZINC000121610710 326351732 /nfs/dbraw/zinc/35/17/32/326351732.db2.gz PKONERWFIYQWLE-YPMHNXCESA-N 0 3 371.484 2.294 20 5 FEBDHN CCC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000121974671 326379185 /nfs/dbraw/zinc/37/91/85/326379185.db2.gz PFINSQCGGXGBSM-MSOLQXFVSA-N 0 3 351.447 2.061 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000122828566 326410795 /nfs/dbraw/zinc/41/07/95/326410795.db2.gz VLZDSRVWLIRQRX-CQSZACIVSA-N 0 3 367.471 2.283 20 5 FEBDHN CNS(=O)(=O)c1cccc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123242400 326424936 /nfs/dbraw/zinc/42/49/36/326424936.db2.gz MWJODGDRVPSAKH-ZDUSSCGKSA-N 0 3 363.439 2.396 20 5 FEBDHN C[C@@H](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000133352894 326607261 /nfs/dbraw/zinc/60/72/61/326607261.db2.gz UELUKSOVDNMDRO-MCFWBGNESA-N 0 3 350.444 2.242 20 5 FEBDHN CN1CCN(c2ncc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000134395921 326624855 /nfs/dbraw/zinc/62/48/55/326624855.db2.gz YVXWZHGPAXVODY-UHFFFAOYSA-N 0 3 370.457 2.162 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135715243 326646689 /nfs/dbraw/zinc/64/66/89/326646689.db2.gz DJWBDHHENZYQBC-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN CC[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])N1CCCC1 ZINC000151920744 326694607 /nfs/dbraw/zinc/69/46/07/326694607.db2.gz APRSFMDHONOFSL-ZDUSSCGKSA-N 0 3 370.475 2.131 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000162388397 327024533 /nfs/dbraw/zinc/02/45/33/327024533.db2.gz SKUDAIAVNBNHDX-LJQANCHMSA-N 0 3 371.441 2.271 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000171368684 327134986 /nfs/dbraw/zinc/13/49/86/327134986.db2.gz FHEVBDGWWRBUGF-HNNXBMFYSA-N 0 3 357.414 2.447 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171548011 327145288 /nfs/dbraw/zinc/14/52/88/327145288.db2.gz WYYMIXMBQWTGRF-UHFFFAOYSA-N 0 3 357.414 2.263 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1C ZINC000172619134 327211950 /nfs/dbraw/zinc/21/19/50/327211950.db2.gz QRLHOJNGJVEREI-DZGCQCFKSA-N 0 3 357.414 2.335 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000172683913 327214429 /nfs/dbraw/zinc/21/44/29/327214429.db2.gz NUTRKTIXJRMTJV-BLLLJJGKSA-N 0 3 363.443 2.052 20 5 FEBDHN NC(=O)c1ccc(CN2CCNC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000261717781 328814302 /nfs/dbraw/zinc/81/43/02/328814302.db2.gz NAOYACFGRQBJAB-KRWDZBQOSA-N 0 3 374.828 2.494 20 5 FEBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000264320828 329009800 /nfs/dbraw/zinc/00/98/00/329009800.db2.gz VGHQRYWDGRWVOW-UHFFFAOYSA-N 0 3 351.378 2.109 20 5 FEBDHN COc1cc(OCC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264610914 329040438 /nfs/dbraw/zinc/04/04/38/329040438.db2.gz PPQNBEJHEANSFW-AWEZNQCLSA-N 0 3 363.414 2.069 20 5 FEBDHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082191 329088713 /nfs/dbraw/zinc/08/87/13/329088713.db2.gz QQMRXAMFRVNYJI-QWRGUYRKSA-N 0 3 351.794 2.450 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265825647 329164212 /nfs/dbraw/zinc/16/42/12/329164212.db2.gz RVQZGCOHADWVPV-UHFFFAOYSA-N 0 3 374.235 2.008 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920792 329172888 /nfs/dbraw/zinc/17/28/88/329172888.db2.gz BPTZWJQAQQGNPF-GFCCVEGCSA-N 0 3 351.403 2.074 20 5 FEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980821 329178867 /nfs/dbraw/zinc/17/88/67/329178867.db2.gz YXSQRJHKRGRKHO-CHWSQXEVSA-N 0 3 365.430 2.462 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265982063 329179044 /nfs/dbraw/zinc/17/90/44/329179044.db2.gz ZERXISPRBAGUFG-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267939819 329370090 /nfs/dbraw/zinc/37/00/90/329370090.db2.gz RKYRKKBICKEMLO-UHFFFAOYSA-N 0 3 367.402 2.253 20 5 FEBDHN CN(c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000271417717 329692249 /nfs/dbraw/zinc/69/22/49/329692249.db2.gz PLJPKKGLOXEEKL-UHFFFAOYSA-N 0 3 372.429 2.111 20 5 FEBDHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458554 329866464 /nfs/dbraw/zinc/86/64/64/329866464.db2.gz QDEUPOFBJVEGTN-LSDHHAIUSA-N 0 3 356.444 2.162 20 5 FEBDHN CCc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000367052260 330211492 /nfs/dbraw/zinc/21/14/92/330211492.db2.gz JKFHLWPDPWSNIP-CRAIPNDOSA-N 0 3 374.485 2.255 20 5 FEBDHN CCCN1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000369322407 330239181 /nfs/dbraw/zinc/23/91/81/330239181.db2.gz COYHIKXUOPBDIP-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000371458484 330244007 /nfs/dbraw/zinc/24/40/07/330244007.db2.gz KTMLABUIIYZXSR-MOEXGYKKSA-N 0 3 372.469 2.235 20 5 FEBDHN CC(=O)NC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155573052 545544737 /nfs/dbraw/zinc/54/47/37/545544737.db2.gz GQTMAQYBLALTQR-OAHLLOKOSA-N 0 3 371.441 2.343 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480758309 561216145 /nfs/dbraw/zinc/21/61/45/561216145.db2.gz NBQPMFJWRCAYHX-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1OC ZINC000177205884 546569639 /nfs/dbraw/zinc/56/96/39/546569639.db2.gz DVBYBEWPPVXCAJ-RYUDHWBXSA-N 0 3 363.414 2.357 20 5 FEBDHN O=C1C[C@H]2CC[C@@H](CN1)N2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000482869639 561261724 /nfs/dbraw/zinc/26/17/24/561261724.db2.gz CHTYTZHDNYRJHF-HIFRSBDPSA-N 0 3 356.382 2.145 20 5 FEBDHN CNc1c(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000483378798 561275241 /nfs/dbraw/zinc/27/52/41/561275241.db2.gz FMRWETIFLHBQDL-GJZGRUSLSA-N 0 3 364.471 2.288 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](CC)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367067 547479558 /nfs/dbraw/zinc/47/95/58/547479558.db2.gz SGWWRGLCQVPLET-CJNGLKHVSA-N 0 3 351.403 2.479 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](CC)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367099 547479932 /nfs/dbraw/zinc/47/99/32/547479932.db2.gz SGWWRGLCQVPLET-CZUORRHYSA-N 0 3 351.403 2.479 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000183147536 547610125 /nfs/dbraw/zinc/61/01/25/547610125.db2.gz LSSXDMDXXVFDCZ-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000183295546 547635416 /nfs/dbraw/zinc/63/54/16/547635416.db2.gz KFVAWZWUEDYROV-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])s1 ZINC000183461459 547665404 /nfs/dbraw/zinc/66/54/04/547665404.db2.gz YIRRJRCUGNIPET-CQSZACIVSA-N 0 3 361.423 2.153 20 5 FEBDHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000183626390 547691400 /nfs/dbraw/zinc/69/14/00/547691400.db2.gz ADDAJXDTCKUCCT-UHFFFAOYSA-N 0 3 356.386 2.423 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183766558 547716027 /nfs/dbraw/zinc/71/60/27/547716027.db2.gz MSLFANZRFAGERV-MRXNPFEDSA-N 0 3 373.384 2.231 20 5 FEBDHN CSc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184325285 547808122 /nfs/dbraw/zinc/80/81/22/547808122.db2.gz OSFIVRPNIUCAMP-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000184915395 547899029 /nfs/dbraw/zinc/89/90/29/547899029.db2.gz VQTYLUKZKKHOCG-IAQYHMDHSA-N 0 3 373.450 2.393 20 5 FEBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186302264 548114408 /nfs/dbraw/zinc/11/44/08/548114408.db2.gz BDOXGOMNXJCNOC-KRWDZBQOSA-N 0 3 371.441 2.223 20 5 FEBDHN COc1cc(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000186780317 548191120 /nfs/dbraw/zinc/19/11/20/548191120.db2.gz LMUNNWGEVZQWTG-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000486400220 561346298 /nfs/dbraw/zinc/34/62/98/561346298.db2.gz VHJHIUGGYSAYRA-OAHLLOKOSA-N 0 3 369.425 2.378 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000193947439 548411845 /nfs/dbraw/zinc/41/18/45/548411845.db2.gz LKIXEYLDKGDXLB-CYBMUJFWSA-N 0 3 350.419 2.135 20 5 FEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237612090 548838135 /nfs/dbraw/zinc/83/81/35/548838135.db2.gz HRORCGJEXGWNDA-VHSXEESVSA-N 0 3 356.220 2.109 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246380230 549118635 /nfs/dbraw/zinc/11/86/35/549118635.db2.gz OPFRNMQMPLKHHR-ZFWWWQNUSA-N 0 3 365.455 2.232 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000246974597 549255740 /nfs/dbraw/zinc/25/57/40/549255740.db2.gz JHTBPTUYQPPIEZ-BXUZGUMPSA-N 0 3 373.862 2.353 20 5 FEBDHN CCOc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247138456 549290248 /nfs/dbraw/zinc/29/02/48/549290248.db2.gz JPKKHZYVPFQLBW-CHWSQXEVSA-N 0 3 363.414 2.311 20 5 FEBDHN CCO[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248474067 549448195 /nfs/dbraw/zinc/44/81/95/549448195.db2.gz XCCRRFWXOHLDFA-KBRIMQKVSA-N 0 3 352.431 2.470 20 5 FEBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248975576 549534846 /nfs/dbraw/zinc/53/48/46/549534846.db2.gz DLDLHUNEDZDKHZ-DZGCQCFKSA-N 0 3 363.414 2.363 20 5 FEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261616531 549734719 /nfs/dbraw/zinc/73/47/19/549734719.db2.gz CMSFLCXMRFXKIV-VNQPRFMTSA-N 0 3 354.410 2.349 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000491287516 561444451 /nfs/dbraw/zinc/44/44/51/561444451.db2.gz YTTMFTSTNLVUNR-IBGZPJMESA-N 0 3 374.416 2.389 20 5 FEBDHN Cc1cnc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000491320795 561444770 /nfs/dbraw/zinc/44/47/70/561444770.db2.gz HLYCLCRVSMHUTI-IBGZPJMESA-N 0 3 356.426 2.371 20 5 FEBDHN CCOc1cc(CN2CCN(CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000493550742 561456874 /nfs/dbraw/zinc/45/68/74/561456874.db2.gz RMRUUUBDIUBTBU-CQSZACIVSA-N 0 3 351.447 2.271 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1N(C)C ZINC000270850984 550313830 /nfs/dbraw/zinc/31/38/30/550313830.db2.gz PTBXMHRIOBBGMV-LSDHHAIUSA-N 0 3 360.439 2.261 20 5 FEBDHN O=C1CCCN1[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000270864970 550315218 /nfs/dbraw/zinc/31/52/18/550315218.db2.gz INJXSPWPSZCONK-INIZCTEOSA-N 0 3 370.409 2.489 20 5 FEBDHN CSc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270970225 550327021 /nfs/dbraw/zinc/32/70/21/550327021.db2.gz BRHFYHUSYXHTCT-JSGCOSHPSA-N 0 3 355.485 2.434 20 5 FEBDHN COc1cc(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372737 /nfs/dbraw/zinc/37/27/37/550372737.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 0 3 361.402 2.418 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272262673 550432283 /nfs/dbraw/zinc/43/22/83/550432283.db2.gz AVIMHEJZYXSGQR-BZNIZROVSA-N 0 3 356.382 2.015 20 5 FEBDHN C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1=CCN(C)CC1 ZINC000272926808 550477028 /nfs/dbraw/zinc/47/70/28/550477028.db2.gz KRTLSYURMHBFJC-OAHLLOKOSA-N 0 3 373.457 2.077 20 5 FEBDHN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1=CCN(C)CC1 ZINC000272974623 550478963 /nfs/dbraw/zinc/47/89/63/550478963.db2.gz ORMMRQRPXGALRL-CYBMUJFWSA-N 0 3 355.398 2.161 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000276920149 550611013 /nfs/dbraw/zinc/61/10/13/550611013.db2.gz HACKKBKYXKOUBF-ZBFHGGJFSA-N 0 3 351.403 2.479 20 5 FEBDHN CCNC(=O)C1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277536490 550681741 /nfs/dbraw/zinc/68/17/41/550681741.db2.gz YVQWZYUWQLOSLP-UHFFFAOYSA-N 0 3 371.441 2.391 20 5 FEBDHN CS(=O)(=O)C1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000280977891 551051424 /nfs/dbraw/zinc/05/14/24/551051424.db2.gz LTGYWGJFGRMXAK-OAHLLOKOSA-N 0 3 352.456 2.473 20 5 FEBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000281018822 551055358 /nfs/dbraw/zinc/05/53/58/551055358.db2.gz LVXOOWZVYMOENS-SJLPKXTDSA-N 0 3 369.425 2.324 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000281569583 551114531 /nfs/dbraw/zinc/11/45/31/551114531.db2.gz CMAMCDNVTDSUDW-OXQOHEQNSA-N 0 3 372.421 2.148 20 5 FEBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000281660834 551127021 /nfs/dbraw/zinc/12/70/21/551127021.db2.gz CJCHCDIALRJTDT-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1cnc2ccccc2c1=O ZINC000282454603 551231432 /nfs/dbraw/zinc/23/14/32/551231432.db2.gz MDRLONCDDNDLNY-UHFFFAOYSA-N 0 3 352.394 2.479 20 5 FEBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000282496153 551237079 /nfs/dbraw/zinc/23/70/79/551237079.db2.gz OJIBDZCKMDQAHU-INIZCTEOSA-N 0 3 356.430 2.455 20 5 FEBDHN O=C(NCCNc1ccncc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497577528 561504112 /nfs/dbraw/zinc/50/41/12/561504112.db2.gz FICQTCGJVXHAGE-UHFFFAOYSA-N 0 3 369.406 2.377 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN[C@]2(Cc3ccc(Cl)cc3)CCOC2)n1 ZINC000282748138 551266160 /nfs/dbraw/zinc/26/61/60/551266160.db2.gz NQINGBAIDWLYOE-INIZCTEOSA-N 0 3 350.806 2.436 20 5 FEBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000284813105 551639978 /nfs/dbraw/zinc/63/99/78/551639978.db2.gz NTIHLFVDOSANCX-HNNXBMFYSA-N 0 3 359.386 2.423 20 5 FEBDHN C[C@H](NCc1ccnc(OCCN(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284937727 551671794 /nfs/dbraw/zinc/67/17/94/551671794.db2.gz DRSWBQBMAGNQBR-ZDUSSCGKSA-N 0 3 359.430 2.363 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000285759674 551806743 /nfs/dbraw/zinc/80/67/43/551806743.db2.gz ZJFPMLLLHKZVLM-UONOGXRCSA-N 0 3 362.430 2.101 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000287007267 551950980 /nfs/dbraw/zinc/95/09/80/551950980.db2.gz HRCMXJILVHFJNJ-MLGOLLRUSA-N 0 3 361.398 2.080 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499690392 561556338 /nfs/dbraw/zinc/55/63/38/561556338.db2.gz IDFAUBRZVVWAIS-HNNXBMFYSA-N 0 3 363.414 2.376 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292171200 552701218 /nfs/dbraw/zinc/70/12/18/552701218.db2.gz PSAPJTMDYFXGQH-RDJZCZTQSA-N 0 3 350.415 2.083 20 5 FEBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293470096 552827040 /nfs/dbraw/zinc/82/70/40/552827040.db2.gz ZUCLLCRXYODVSK-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855135 561627997 /nfs/dbraw/zinc/62/79/97/561627997.db2.gz JNOVKKNKCYTXHF-OUCADQQQSA-N 0 3 351.403 2.071 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000297272221 553271842 /nfs/dbraw/zinc/27/18/42/553271842.db2.gz UQKXLBKKCYMTNO-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C[C@H]2CCOC2)CC1 ZINC000297392518 553286775 /nfs/dbraw/zinc/28/67/75/553286775.db2.gz FESMYMFRFHRHCQ-CQSZACIVSA-N 0 3 372.425 2.310 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000297939392 553359945 /nfs/dbraw/zinc/35/99/45/553359945.db2.gz RVPRZPZTIBFBIP-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN CC(C)C(=O)NC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298750026 553467810 /nfs/dbraw/zinc/46/78/10/553467810.db2.gz MNJAKPBSYCRFCT-UHFFFAOYSA-N 0 3 362.430 2.160 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000298797516 553474395 /nfs/dbraw/zinc/47/43/95/553474395.db2.gz DRXODPMQDVISRE-LSDHHAIUSA-N 0 3 374.441 2.235 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000298797510 553474448 /nfs/dbraw/zinc/47/44/48/553474448.db2.gz DRXODPMQDVISRE-HUUCEWRRSA-N 0 3 374.441 2.235 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000298860567 553481900 /nfs/dbraw/zinc/48/19/00/553481900.db2.gz QKYXNOAQONPTJG-UHFFFAOYSA-N 0 3 367.471 2.375 20 5 FEBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298935284 553491902 /nfs/dbraw/zinc/49/19/02/553491902.db2.gz FPOQNKVILJFDIO-UHFFFAOYSA-N 0 3 371.441 2.255 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000299210405 553531292 /nfs/dbraw/zinc/53/12/92/553531292.db2.gz GTVLPJOUVLDFGJ-LJQANCHMSA-N 0 3 374.441 2.094 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000299296904 553543898 /nfs/dbraw/zinc/54/38/98/553543898.db2.gz MRBNZYOSDBUDQF-HOCLYGCPSA-N 0 3 374.441 2.235 20 5 FEBDHN CC(C)N(CCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000504008786 561651796 /nfs/dbraw/zinc/65/17/96/561651796.db2.gz QFXGXEAHLHQBHW-UHFFFAOYSA-N 0 3 361.439 2.473 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000299397957 553557871 /nfs/dbraw/zinc/55/78/71/553557871.db2.gz DGEVFSNNTVHVII-QGZVFWFLSA-N 0 3 371.441 2.443 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277139 553638634 /nfs/dbraw/zinc/63/86/34/553638634.db2.gz ZEILLNJCAAPZDG-UPJWGTAASA-N 0 3 370.475 2.021 20 5 FEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301475833 553654247 /nfs/dbraw/zinc/65/42/47/553654247.db2.gz NXSHMVXPAQEBKG-CQSZACIVSA-N 0 3 363.805 2.457 20 5 FEBDHN Cc1cc(N2CCO[C@H](CN(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302692355 553726418 /nfs/dbraw/zinc/72/64/18/553726418.db2.gz RXNLHYJEPVKTEV-LLVKDONJSA-N 0 3 358.236 2.433 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000330665128 554153126 /nfs/dbraw/zinc/15/31/26/554153126.db2.gz VFBXDKVMUZGPGL-KGLIPLIRSA-N 0 3 357.863 2.295 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330879785 554182426 /nfs/dbraw/zinc/18/24/26/554182426.db2.gz AYPLQHKYWMNOBO-KBPBESRZSA-N 0 3 355.460 2.254 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509011819 561781482 /nfs/dbraw/zinc/78/14/82/561781482.db2.gz COAUQSXWHFXBIS-LBPRGKRZSA-N 0 3 368.821 2.177 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332013179 554363478 /nfs/dbraw/zinc/36/34/78/554363478.db2.gz PMRKIGYUJSSYSB-GXFFZTMASA-N 0 3 355.341 2.362 20 5 FEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000332381720 554435472 /nfs/dbraw/zinc/43/54/72/554435472.db2.gz HEPIGTYIOOJQNC-KSSFIOAISA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508731 554458647 /nfs/dbraw/zinc/45/86/47/554458647.db2.gz HAPKHESIZUIDPI-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510523263 561837534 /nfs/dbraw/zinc/83/75/34/561837534.db2.gz LLPSPFZUMUCXAA-ACJLOTCBSA-N 0 3 359.430 2.216 20 5 FEBDHN CCOc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000510739025 561844907 /nfs/dbraw/zinc/84/49/07/561844907.db2.gz BHZUTSBWNMBNCX-GFCCVEGCSA-N 0 3 363.414 2.382 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c1[N+](=O)[O-] ZINC000364221272 555273374 /nfs/dbraw/zinc/27/33/74/555273374.db2.gz NNXDEMBCDGQNDC-HNNXBMFYSA-N 0 3 371.441 2.317 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000364308405 555288737 /nfs/dbraw/zinc/28/87/37/555288737.db2.gz XABFMCOPYJGARC-LSDHHAIUSA-N 0 3 359.357 2.309 20 5 FEBDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000512449384 561905366 /nfs/dbraw/zinc/90/53/66/561905366.db2.gz GIPAUHIMHRHLSL-UHFFFAOYSA-N 0 3 364.446 2.350 20 5 FEBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000364674186 555370652 /nfs/dbraw/zinc/37/06/52/555370652.db2.gz JEECYFPEJYCRSL-SJORKVTESA-N 0 3 369.425 2.057 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364743350 555391945 /nfs/dbraw/zinc/39/19/45/555391945.db2.gz QBJYTMYGULOYLJ-IAGOWNOFSA-N 0 3 360.414 2.086 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000364855652 555416242 /nfs/dbraw/zinc/41/62/42/555416242.db2.gz IRHDFHRHWILMGQ-OAHLLOKOSA-N 0 3 364.450 2.012 20 5 FEBDHN Cc1nnc(C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000365111154 555487892 /nfs/dbraw/zinc/48/78/92/555487892.db2.gz VARQCQDWULPNOU-NSHDSACASA-N 0 3 358.402 2.228 20 5 FEBDHN COc1ccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2)cc1[N+](=O)[O-] ZINC000365534747 555602002 /nfs/dbraw/zinc/60/20/02/555602002.db2.gz OTNHDHDVIDBYCH-HNNXBMFYSA-N 0 3 359.430 2.404 20 5 FEBDHN CC(C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000365928802 555703454 /nfs/dbraw/zinc/70/34/54/555703454.db2.gz POYPMWBREALELP-KRWDZBQOSA-N 0 3 363.462 2.465 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(CCc2ccncc2)CC1 ZINC000366146010 555764599 /nfs/dbraw/zinc/76/45/99/555764599.db2.gz UNGSYHOMYGUBIN-UHFFFAOYSA-N 0 3 369.425 2.164 20 5 FEBDHN O=C1NC(=O)[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]12 ZINC000366478518 555855924 /nfs/dbraw/zinc/85/59/24/555855924.db2.gz FCCOHQOFPLFMNW-OCCSQVGLSA-N 0 3 371.418 2.418 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243054 561965457 /nfs/dbraw/zinc/96/54/57/561965457.db2.gz XFQCFCGKAQGXDW-RAIGVLPGSA-N 0 3 351.403 2.408 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000367886533 556165058 /nfs/dbraw/zinc/16/50/58/556165058.db2.gz PXKCXIHJAMVNIT-INIZCTEOSA-N 0 3 363.458 2.123 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCOC2=O)CC1 ZINC000370088038 556777656 /nfs/dbraw/zinc/77/76/56/556777656.db2.gz ZQANJODQMQSKGD-UHFFFAOYSA-N 0 3 361.398 2.261 20 5 FEBDHN COc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349439 557155697 /nfs/dbraw/zinc/15/56/97/557155697.db2.gz ISQZTNMGDGNGIC-UKRRQHHQSA-N 0 3 366.437 2.205 20 5 FEBDHN Cc1cccc(NC[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000372346172 557445988 /nfs/dbraw/zinc/44/59/88/557445988.db2.gz MIFHWLOIXMQATD-OAHLLOKOSA-N 0 3 357.414 2.036 20 5 FEBDHN Cc1cccc(NC[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000372346168 557446180 /nfs/dbraw/zinc/44/61/80/557446180.db2.gz MIFHWLOIXMQATD-HNNXBMFYSA-N 0 3 357.414 2.036 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](n4cncn4)C3)o2)c1 ZINC000372476531 557480866 /nfs/dbraw/zinc/48/08/66/557480866.db2.gz YUSHSZMXMBUGOE-OAHLLOKOSA-N 0 3 354.370 2.331 20 5 FEBDHN Cc1ccn2c(c1)nnc2C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372509876 557488939 /nfs/dbraw/zinc/48/89/39/557488939.db2.gz YUWHKFYIROOLOA-UHFFFAOYSA-N 0 3 355.402 2.022 20 5 FEBDHN COc1cc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000373153158 557639634 /nfs/dbraw/zinc/63/96/34/557639634.db2.gz LJXGJQHALYQDNC-DYVFJYSZSA-N 0 3 352.387 2.040 20 5 FEBDHN COc1cccc(NC(=O)CCN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581452 557722338 /nfs/dbraw/zinc/72/23/38/557722338.db2.gz FDJKYXMLILNBLV-HNNXBMFYSA-N 0 3 373.413 2.466 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000374505717 557892425 /nfs/dbraw/zinc/89/24/25/557892425.db2.gz OGJJSIXQPRWABF-UHOFOFEASA-N 0 3 360.414 2.055 20 5 FEBDHN COc1cccc(CC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000374613298 557906820 /nfs/dbraw/zinc/90/68/20/557906820.db2.gz OJHUUJMXRCTPRH-GOSISDBHSA-N 0 3 374.441 2.116 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098604 557977760 /nfs/dbraw/zinc/97/77/60/557977760.db2.gz CBEYEYYXBMACQZ-BLLLJJGKSA-N 0 3 370.409 2.254 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098604 557977762 /nfs/dbraw/zinc/97/77/62/557977762.db2.gz CBEYEYYXBMACQZ-BLLLJJGKSA-N 0 3 370.409 2.254 20 5 FEBDHN COC(=O)c1ccccc1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389379 558019691 /nfs/dbraw/zinc/01/96/91/558019691.db2.gz GKGKHUZZZQLMRK-HNNXBMFYSA-N 0 3 358.398 2.458 20 5 FEBDHN O=C(CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000375403404 558021429 /nfs/dbraw/zinc/02/14/29/558021429.db2.gz MLZPBEBVGBGOJO-MRXNPFEDSA-N 0 3 369.425 2.408 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000376767064 558219078 /nfs/dbraw/zinc/21/90/78/558219078.db2.gz GPIZIODVMDSIRC-CZUORRHYSA-N 0 3 365.386 2.160 20 5 FEBDHN CN(C)CCOc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000522571636 562200006 /nfs/dbraw/zinc/20/00/06/562200006.db2.gz GBFAFNSJCLKLQR-UHFFFAOYSA-N 0 3 361.402 2.106 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000378318640 558528704 /nfs/dbraw/zinc/52/87/04/558528704.db2.gz XPQMALVRPIYQMM-HKUYNNGSSA-N 0 3 357.410 2.345 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)cc1SC ZINC000524774629 562234475 /nfs/dbraw/zinc/23/44/75/562234475.db2.gz RUPHTYWACNBAOU-LLVKDONJSA-N 0 3 353.444 2.397 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000525291465 562245160 /nfs/dbraw/zinc/24/51/60/562245160.db2.gz HXOPUIKUYZGTNP-OAHLLOKOSA-N 0 3 360.458 2.269 20 5 FEBDHN O=C(CCN1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279091 558866996 /nfs/dbraw/zinc/86/69/96/558866996.db2.gz PFLVKCZAYSOJFJ-JSGCOSHPSA-N 0 3 361.320 2.311 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]2CN2CCCC2)c1F ZINC000412038854 559005510 /nfs/dbraw/zinc/00/55/10/559005510.db2.gz JCYIVFLZZDPVBY-ZDUSSCGKSA-N 0 3 365.405 2.372 20 5 FEBDHN C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000412383574 559032505 /nfs/dbraw/zinc/03/25/05/559032505.db2.gz LRJBUMVWQVUEBB-JTQLQIEISA-N 0 3 362.352 2.482 20 5 FEBDHN CC(C)[C@H]1N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199039 559152792 /nfs/dbraw/zinc/15/27/92/559152792.db2.gz YSKAOPJZVPXHPV-SJLPKXTDSA-N 0 3 364.442 2.472 20 5 FEBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CNCCC1(F)F ZINC000414947699 559196737 /nfs/dbraw/zinc/19/67/37/559196737.db2.gz LDDCEBSQGVMKBR-JTQLQIEISA-N 0 3 366.271 2.315 20 5 FEBDHN Cc1cc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416374561 559308260 /nfs/dbraw/zinc/30/82/60/559308260.db2.gz UBJXLUYGVYFBHV-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1NCCc2ccccc21 ZINC000417764014 559375584 /nfs/dbraw/zinc/37/55/84/559375584.db2.gz LJXGJNJVANBWRJ-KRWDZBQOSA-N 0 3 354.410 2.324 20 5 FEBDHN N[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000417953154 559383696 /nfs/dbraw/zinc/38/36/96/559383696.db2.gz YTSPLNCUBXDGIQ-ZWKOTPCHSA-N 0 3 354.410 2.274 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000424084213 559654276 /nfs/dbraw/zinc/65/42/76/559654276.db2.gz XTYUEVPJSCABNC-ZDUSSCGKSA-N 0 3 357.366 2.142 20 5 FEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425278394 559694531 /nfs/dbraw/zinc/69/45/31/559694531.db2.gz STTQNGRPLBORAD-MAUKXSAKSA-N 0 3 366.421 2.404 20 5 FEBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000425391675 559699637 /nfs/dbraw/zinc/69/96/37/559699637.db2.gz DYASYNIDNUUDAH-UHFFFAOYSA-N 0 3 372.263 2.246 20 5 FEBDHN O=C1[C@H](N[C@@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226494 559793245 /nfs/dbraw/zinc/79/32/45/559793245.db2.gz KUHYNZYOHGYBOC-CXAGYDPISA-N 0 3 353.378 2.163 20 5 FEBDHN Cc1ccn(C[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1[N+](=O)[O-] ZINC000430146973 559814228 /nfs/dbraw/zinc/81/42/28/559814228.db2.gz KIIXCNPFVGHGPE-QGZVFWFLSA-N 0 3 357.410 2.356 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCO1 ZINC000432543494 559860646 /nfs/dbraw/zinc/86/06/46/559860646.db2.gz UIILJGUFQRYCCP-ZDUSSCGKSA-N 0 3 360.414 2.307 20 5 FEBDHN CCn1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000433211486 559873859 /nfs/dbraw/zinc/87/38/59/559873859.db2.gz ZAQBHFRRMTUHCP-UHFFFAOYSA-N 0 3 367.409 2.467 20 5 FEBDHN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000439470932 559994768 /nfs/dbraw/zinc/99/47/68/559994768.db2.gz PWEFNJVGXGKVBA-SUMWQHHRSA-N 0 3 350.419 2.235 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000449319497 560225095 /nfs/dbraw/zinc/22/50/95/560225095.db2.gz KCYAINSZUQDOEO-IUODEOHRSA-N 0 3 361.364 2.379 20 5 FEBDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449567128 560233679 /nfs/dbraw/zinc/23/36/79/560233679.db2.gz ULNOPDXYJWRICD-OAHLLOKOSA-N 0 3 365.430 2.063 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931146 560245595 /nfs/dbraw/zinc/24/55/95/560245595.db2.gz NWWPSJHCIVUFDP-DZGCQCFKSA-N 0 3 357.414 2.193 20 5 FEBDHN O=C1CC[C@@H](N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450892547 560276926 /nfs/dbraw/zinc/27/69/26/560276926.db2.gz OSOYXUUUIVPJSY-CYBMUJFWSA-N 0 3 352.822 2.039 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451483937 560309677 /nfs/dbraw/zinc/30/96/77/560309677.db2.gz YVRPRORTBARDDR-CSMYWGQOSA-N 0 3 363.414 2.335 20 5 FEBDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483389 560309719 /nfs/dbraw/zinc/30/97/19/560309719.db2.gz DTTFIUPVOQBIHY-WMLDXEAASA-N 0 3 365.386 2.055 20 5 FEBDHN CCN1CCC(NC(=O)CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557828 560314684 /nfs/dbraw/zinc/31/46/84/560314684.db2.gz FKEQCGNUHWEOOE-KRWDZBQOSA-N 0 3 374.485 2.375 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@]2(CCOC2)C1 ZINC000451900729 560335667 /nfs/dbraw/zinc/33/56/67/560335667.db2.gz LYXYDIONWJMENK-GOSISDBHSA-N 0 3 361.398 2.395 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451920871 560337388 /nfs/dbraw/zinc/33/73/88/560337388.db2.gz YIQLIAHMIGEHHZ-HZPDHXFCSA-N 0 3 360.458 2.251 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000453417744 560386287 /nfs/dbraw/zinc/38/62/87/560386287.db2.gz CIJISGIQASYKGW-KCXAZCMYSA-N 0 3 360.414 2.055 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455245268 560475354 /nfs/dbraw/zinc/47/53/54/560475354.db2.gz LFLQEUBCJRIKJA-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455672507 560491298 /nfs/dbraw/zinc/49/12/98/560491298.db2.gz NFIASLZTGIJIMS-OAHLLOKOSA-N 0 3 369.425 2.426 20 5 FEBDHN CCc1n[nH]c(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346303 560516464 /nfs/dbraw/zinc/51/64/64/560516464.db2.gz SVCTUPRNJZQNKX-CQSZACIVSA-N 0 3 371.441 2.474 20 5 FEBDHN CCc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346303 560516465 /nfs/dbraw/zinc/51/64/65/560516465.db2.gz SVCTUPRNJZQNKX-CQSZACIVSA-N 0 3 371.441 2.474 20 5 FEBDHN CC[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514622 560628732 /nfs/dbraw/zinc/62/87/32/560628732.db2.gz RDSLLUHZOHEBQD-IAGOWNOFSA-N 0 3 364.446 2.192 20 5 FEBDHN CC[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514712 560628878 /nfs/dbraw/zinc/62/88/78/560628878.db2.gz RLIWCSKMIAYFGW-WBVHZDCISA-N 0 3 364.446 2.192 20 5 FEBDHN COc1ccc([C@@H](CO)C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000459760863 560706763 /nfs/dbraw/zinc/70/67/63/560706763.db2.gz URRZCARBUVOGPE-CQSZACIVSA-N 0 3 362.382 2.183 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000460930068 560756154 /nfs/dbraw/zinc/75/61/54/560756154.db2.gz DRYXDEXYBDPQDY-UHFFFAOYSA-N 0 3 373.475 2.346 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCCO)CC1 ZINC000470173358 560976093 /nfs/dbraw/zinc/97/60/93/560976093.db2.gz BJDVEOKPKJLAFR-QINSGFPZSA-N 0 3 361.442 2.209 20 5 FEBDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472724367 561033837 /nfs/dbraw/zinc/03/38/37/561033837.db2.gz NYVCNBCVGZJKSM-UHFFFAOYSA-N 0 3 368.409 2.253 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000473997903 561063259 /nfs/dbraw/zinc/06/32/59/561063259.db2.gz YEWKXPCAZPLSKE-CYBMUJFWSA-N 0 3 352.387 2.194 20 5 FEBDHN CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CCN(Cc2ccccc2)CC1 ZINC000476389238 561118267 /nfs/dbraw/zinc/11/82/67/561118267.db2.gz WKTBXXJQIPCZIY-UHFFFAOYSA-N 0 3 357.414 2.065 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000476587334 561123565 /nfs/dbraw/zinc/12/35/65/561123565.db2.gz IJVAKIPDHGXSLG-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000532574673 562482025 /nfs/dbraw/zinc/48/20/25/562482025.db2.gz IDSAWFIQHPOIFY-CYBMUJFWSA-N 0 3 352.822 2.355 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535701514 562564586 /nfs/dbraw/zinc/56/45/86/562564586.db2.gz PMXAQSSPFWLOPS-CYBMUJFWSA-N 0 3 360.414 2.259 20 5 FEBDHN CCC[C@@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568685790 568122588 /nfs/dbraw/zinc/12/25/88/568122588.db2.gz FQKMWKKVBIXHAA-GFCCVEGCSA-N 0 3 364.183 2.450 20 5 FEBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000584716727 568511444 /nfs/dbraw/zinc/51/14/44/568511444.db2.gz MMKCTMATEDLMDQ-KGLIPLIRSA-N 0 3 362.430 2.303 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000809860344 674517762 /nfs/dbraw/zinc/51/77/62/674517762.db2.gz LUMHHECXGWFQRJ-GFCCVEGCSA-N 0 3 361.439 2.441 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810180554 674535689 /nfs/dbraw/zinc/53/56/89/674535689.db2.gz BCHIXGXOTHAGSC-QGZVFWFLSA-N 0 3 353.394 2.432 20 5 FEBDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826283500 608554155 /nfs/dbraw/zinc/55/41/55/608554155.db2.gz SJGMMOBDJOMSPU-YVEFUNNKSA-N 0 3 368.397 2.468 20 5 FEBDHN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112830 674721122 /nfs/dbraw/zinc/72/11/22/674721122.db2.gz UJDDMWFJSXYXOC-GXTWGEPZSA-N 0 3 354.428 2.055 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)[N+](=O)[O-] ZINC000813115177 674721607 /nfs/dbraw/zinc/72/16/07/674721607.db2.gz LZYVQQUVQJXASW-MNOVXSKESA-N 0 3 350.400 2.116 20 5 FEBDHN CC(COC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813105307 674719815 /nfs/dbraw/zinc/71/98/15/674719815.db2.gz XOJQCKMDLLIFKB-ZETCQYMHSA-N 0 3 362.239 2.247 20 5 FEBDHN CC(COC(=O)c1ccccc1SCC(=O)N1CCCC1)[N+](=O)[O-] ZINC000813113934 674720926 /nfs/dbraw/zinc/72/09/26/674720926.db2.gz WPNJXMSSWMQCKR-GFCCVEGCSA-N 0 3 352.412 2.223 20 5 FEBDHN CC(COC(=O)c1cnn(-c2ccc(Br)cc2)c1)[N+](=O)[O-] ZINC000813113617 674720963 /nfs/dbraw/zinc/72/09/63/674720963.db2.gz RUKMTTZCRDNLNS-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN CC(COC(=O)c1ccc(F)cc1I)[N+](=O)[O-] ZINC000813111006 674721004 /nfs/dbraw/zinc/72/10/04/674721004.db2.gz OAROGUODZYAXFS-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813110213 674721029 /nfs/dbraw/zinc/72/10/29/674721029.db2.gz UUCDJHFGWCVELH-GUYCJALGSA-N 0 3 350.371 2.244 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047144456 670235101 /nfs/dbraw/zinc/23/51/01/670235101.db2.gz BHSQVGUGDDOJBT-NSHDSACASA-N 0 3 350.375 2.416 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000816950191 675089834 /nfs/dbraw/zinc/08/98/34/675089834.db2.gz MZKFCBOCARPTIF-UFBFGSQYSA-N 0 3 372.194 2.273 20 5 FEBDHN COc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000578636813 671679135 /nfs/dbraw/zinc/67/91/35/671679135.db2.gz GKBAXOHWIBRLNW-CYBMUJFWSA-N 0 3 352.387 2.127 20 5 FEBDHN C[C@@H](CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000579946889 671772084 /nfs/dbraw/zinc/77/20/84/671772084.db2.gz DPEQWIDHQSFISU-VIFPVBQESA-N 0 3 369.365 2.048 20 5 FEBDHN Cc1ccncc1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000589174637 672512067 /nfs/dbraw/zinc/51/20/67/672512067.db2.gz FBKTZGVODAURAC-UHFFFAOYSA-N 0 3 363.439 2.294 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[C@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939061 672549421 /nfs/dbraw/zinc/54/94/21/672549421.db2.gz NPVKHZYLZVEJLZ-IINYFYTJSA-N 0 3 362.304 2.302 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000590165379 672562941 /nfs/dbraw/zinc/56/29/41/672562941.db2.gz MWLMOHOMARCUPC-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000590447668 672583416 /nfs/dbraw/zinc/58/34/16/672583416.db2.gz ZCRQIEAYFWQJBQ-ZANVPECISA-N 0 3 354.204 2.133 20 5 FEBDHN CC1(C)CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000591678061 672701115 /nfs/dbraw/zinc/70/11/15/672701115.db2.gz HQCJICFEFPSXGQ-UHFFFAOYSA-N 0 3 356.220 2.110 20 5 FEBDHN CC[N@H+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000593626621 672962185 /nfs/dbraw/zinc/96/21/85/672962185.db2.gz BUZAWOWBIBGMCS-UHFFFAOYSA-N 0 3 370.475 2.313 20 5 FEBDHN CC[N@@H+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000593626621 672962186 /nfs/dbraw/zinc/96/21/86/672962186.db2.gz BUZAWOWBIBGMCS-UHFFFAOYSA-N 0 3 370.475 2.313 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027709 673022242 /nfs/dbraw/zinc/02/22/42/673022242.db2.gz YPWOIYUAUNUGIT-MAUKXSAKSA-N 0 3 350.415 2.368 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000462584263 673266111 /nfs/dbraw/zinc/26/61/11/673266111.db2.gz ZUMFFSFDCJRWGX-HNNXBMFYSA-N 0 3 367.471 2.446 20 5 FEBDHN COc1cc(CN[C@H](CO)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595618293 673273895 /nfs/dbraw/zinc/27/38/95/673273895.db2.gz XDQRTMGHAAJNQR-GFCCVEGCSA-N 0 3 360.357 2.498 20 5 FEBDHN C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000596178490 673365472 /nfs/dbraw/zinc/36/54/72/673365472.db2.gz JIFSGLCJUFTPRZ-JSGCOSHPSA-N 0 3 353.854 2.105 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274957 673481961 /nfs/dbraw/zinc/48/19/61/673481961.db2.gz BRDIZTIFLNYWLU-KGLIPLIRSA-N 0 3 358.320 2.436 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)cc1SC ZINC000598572858 673584918 /nfs/dbraw/zinc/58/49/18/673584918.db2.gz LXFVEHXUUVYFJT-LBPRGKRZSA-N 0 3 353.444 2.395 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855285 673610642 /nfs/dbraw/zinc/61/06/42/673610642.db2.gz COWWBDOGJUDUAM-BXKDBHETSA-N 0 3 355.341 2.409 20 5 FEBDHN COc1cc(C[NH2+]CC2CCN(CC(F)F)CC2)c([N+](=O)[O-])cc1[O-] ZINC000598918412 673621083 /nfs/dbraw/zinc/62/10/83/673621083.db2.gz BAJXIWFCSNHIOC-UHFFFAOYSA-N 0 3 359.373 2.376 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000740894708 673660078 /nfs/dbraw/zinc/66/00/78/673660078.db2.gz VSHLHQCEXPCIAZ-NWDGAFQWSA-N 0 3 359.423 2.227 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599390510 673668301 /nfs/dbraw/zinc/66/83/01/673668301.db2.gz JAPXEHCRNKRTBY-INIZCTEOSA-N 0 3 367.471 2.421 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000599989555 673732298 /nfs/dbraw/zinc/73/22/98/673732298.db2.gz QHKJZHSSPRRTOY-SKDRFNHKSA-N 0 3 354.204 2.133 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])s1 ZINC000601372459 673850416 /nfs/dbraw/zinc/85/04/16/673850416.db2.gz YTWQAANKXQWOMY-NWDGAFQWSA-N 0 3 359.473 2.070 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272587 679947775 /nfs/dbraw/zinc/94/77/75/679947775.db2.gz OSQATNHQHOAFLR-AWEZNQCLSA-N 0 3 350.375 2.194 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911942172 685286339 /nfs/dbraw/zinc/28/63/39/685286339.db2.gz LZAVYGAJLOBPHG-UHFFFAOYSA-N 0 3 355.822 2.085 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1Cl ZINC000836782887 680513321 /nfs/dbraw/zinc/51/33/21/680513321.db2.gz LIRZAVZFZAOUAT-ZDUSSCGKSA-N 0 3 368.865 2.312 20 5 FEBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845500096 681133086 /nfs/dbraw/zinc/13/30/86/681133086.db2.gz IJOZMHKILKLXHB-CYBMUJFWSA-N 0 3 370.812 2.130 20 5 FEBDHN CC([C@@H](OC(=O)CCCNC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873136 681158111 /nfs/dbraw/zinc/15/81/11/681158111.db2.gz BJZMIPFASUEWHE-BDJLRTHQSA-N 0 3 352.362 2.382 20 5 FEBDHN CC(=O)N1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845872845 681158145 /nfs/dbraw/zinc/15/81/45/681158145.db2.gz PPOXYHJQSPHBCA-BDJLRTHQSA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@H](OC(=O)c1coc(S(C)(=O)=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845880693 681159130 /nfs/dbraw/zinc/15/91/30/681159130.db2.gz JERXQDPBZQVFFB-OTYXRUKQSA-N 0 3 371.342 2.386 20 5 FEBDHN Cc1nnc(COCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883352 681159174 /nfs/dbraw/zinc/15/91/74/681159174.db2.gz SMNVDVPRLHPNGU-VFZGTOFNSA-N 0 3 369.374 2.452 20 5 FEBDHN Cc1c(C(=O)NCCN2CCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000783921463 682187095 /nfs/dbraw/zinc/18/70/95/682187095.db2.gz SFPRPHVINAKAMV-JTQLQIEISA-N 0 3 350.375 2.334 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791063895 682721500 /nfs/dbraw/zinc/72/15/00/682721500.db2.gz ZAJNTVOPLKNDDV-AWEZNQCLSA-N 0 3 350.375 2.353 20 5 FEBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823657 683480273 /nfs/dbraw/zinc/48/02/73/683480273.db2.gz AFYPYLFMZOHZRC-JSGCOSHPSA-N 0 3 353.806 2.183 20 5 FEBDHN C[C@@H]1COC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643423 683760363 /nfs/dbraw/zinc/76/03/63/683760363.db2.gz YDQHAYNXICRMGR-PELKAZGASA-N 0 3 362.167 2.324 20 5 FEBDHN CON(C)C(=O)[C@H](CCSC)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866305695 684090722 /nfs/dbraw/zinc/09/07/22/684090722.db2.gz KDGFGYFHKNWVSD-RISCZKNCSA-N 0 3 373.450 2.396 20 5 FEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)CC(F)(F)F ZINC000866388072 684097022 /nfs/dbraw/zinc/09/70/22/684097022.db2.gz AQFSHIDZPGRTKM-VIFPVBQESA-N 0 3 372.340 2.232 20 5 FEBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1(C)C ZINC000871156738 684791760 /nfs/dbraw/zinc/79/17/60/684791760.db2.gz LAZUKJPVUMFWCY-UHFFFAOYSA-N 0 3 371.235 2.309 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882767430 687478862 /nfs/dbraw/zinc/47/88/62/687478862.db2.gz NNSDCLASUARRMK-UHFFFAOYSA-N 0 3 367.471 2.406 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000882767372 687479004 /nfs/dbraw/zinc/47/90/04/687479004.db2.gz LMIBPCGKDSVKMK-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c1C ZINC000882769734 687481444 /nfs/dbraw/zinc/48/14/44/687481444.db2.gz KCUGMBSXFQUHFF-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCOCC2)c1 ZINC000885861322 688171052 /nfs/dbraw/zinc/17/10/52/688171052.db2.gz RVGFULIHRQZQHR-CYBMUJFWSA-N 0 3 365.455 2.300 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885895602 688180878 /nfs/dbraw/zinc/18/08/78/688180878.db2.gz IESGXUKQCJRQTK-CQSZACIVSA-N 0 3 365.455 2.300 20 5 FEBDHN CO[C@H](CNCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000895611161 689744047 /nfs/dbraw/zinc/74/40/47/689744047.db2.gz SAUODJNHIRLUBL-BXUZGUMPSA-N 0 3 359.220 2.498 20 5 FEBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896526367 689885430 /nfs/dbraw/zinc/88/54/30/689885430.db2.gz WKFVSCZWDROEMS-JTQLQIEISA-N 0 3 363.340 2.012 20 5 FEBDHN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000897094922 689974096 /nfs/dbraw/zinc/97/40/96/689974096.db2.gz OGDPLNWRLJZPIU-UHFFFAOYSA-N 0 3 350.463 2.456 20 5 FEBDHN CO[C@@]1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364072 690886374 /nfs/dbraw/zinc/88/63/74/690886374.db2.gz UAWKYAVMIBNVDN-IAGOWNOFSA-N 0 3 368.455 2.156 20 5 FEBDHN C[C@H](N[C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851768 691182828 /nfs/dbraw/zinc/18/28/28/691182828.db2.gz CXAFETVJXCGZMJ-RCBQFDQVSA-N 0 3 364.471 2.091 20 5 FEBDHN Nc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164909331 721541353 /nfs/dbraw/zinc/54/13/53/721541353.db2.gz RMJSKYNZDCGVNW-UKRRQHHQSA-N 0 3 373.388 2.053 20 5 FEBDHN CNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029931539 539868894 /nfs/dbraw/zinc/86/88/94/539868894.db2.gz MEFSJIHKYOAMMR-UHFFFAOYSA-N 0 3 370.409 2.415 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000032732348 539950241 /nfs/dbraw/zinc/95/02/41/539950241.db2.gz USFVDQUIQVHMJL-QWHCGFSZSA-N 0 3 363.414 2.374 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047148630 540292793 /nfs/dbraw/zinc/29/27/93/540292793.db2.gz RVGBCMCXSPFEOD-LBPRGKRZSA-N 0 3 351.403 2.074 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000048716975 540371478 /nfs/dbraw/zinc/37/14/78/540371478.db2.gz OKZOIIQMXHQTOR-CQSZACIVSA-N 0 3 368.455 2.465 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NCCC(C)C)cccc1[N+](=O)[O-] ZINC000048717158 540371547 /nfs/dbraw/zinc/37/15/47/540371547.db2.gz TVLBBKOWFSMZNH-ZDUSSCGKSA-N 0 3 356.444 2.369 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000055280959 540642761 /nfs/dbraw/zinc/64/27/61/540642761.db2.gz MIPCESSMDSYHMV-LBPRGKRZSA-N 0 3 359.423 2.134 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000063756305 541183603 /nfs/dbraw/zinc/18/36/03/541183603.db2.gz CXNFDUNTVYWELB-STQMWFEESA-N 0 3 365.430 2.462 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCN(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000068346329 541580103 /nfs/dbraw/zinc/58/01/03/541580103.db2.gz DBYAQIREPIPEAV-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000073997214 542024343 /nfs/dbraw/zinc/02/43/43/542024343.db2.gz FYRNGHUFYBMLGY-QWHCGFSZSA-N 0 3 362.386 2.429 20 5 FEBDHN O=C(c1cnn(CCN2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000074042850 542028809 /nfs/dbraw/zinc/02/88/09/542028809.db2.gz MYQRKTNBIGQHER-UHFFFAOYSA-N 0 3 369.425 2.480 20 5 FEBDHN C[C@@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000075749167 542202357 /nfs/dbraw/zinc/20/23/57/542202357.db2.gz AIUQNMWDVLXJOP-RRQGHBQHSA-N 0 3 362.455 2.331 20 5 FEBDHN COC1CCN(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000080249751 542578526 /nfs/dbraw/zinc/57/85/26/542578526.db2.gz QGPZLEZMVRKTKC-UHFFFAOYSA-N 0 3 364.446 2.256 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000093001672 542901029 /nfs/dbraw/zinc/90/10/29/542901029.db2.gz TZEQKRVTKSVUDA-WCQYABFASA-N 0 3 359.423 2.003 20 5 FEBDHN CC(=O)N[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674656 543137130 /nfs/dbraw/zinc/13/71/30/543137130.db2.gz GBFBGKXBSYTZQM-OAHLLOKOSA-N 0 3 358.398 2.393 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108341963 543287081 /nfs/dbraw/zinc/28/70/81/543287081.db2.gz PMGUUJQUDAUIOW-RYUDHWBXSA-N 0 3 355.822 2.474 20 5 FEBDHN O=C(CN1CCC[C@@H](N2CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000108376696 543288385 /nfs/dbraw/zinc/28/83/85/543288385.db2.gz IAJFXZFJXLBQEQ-GOSISDBHSA-N 0 3 372.469 2.434 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110355922 543355914 /nfs/dbraw/zinc/35/59/14/543355914.db2.gz DIXKJZFAWNCOOF-AWEZNQCLSA-N 0 3 359.430 2.127 20 5 FEBDHN CSc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000116451570 543608909 /nfs/dbraw/zinc/60/89/09/543608909.db2.gz AADCGZHFNCCJLK-CQSZACIVSA-N 0 3 367.471 2.139 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123139871 543745028 /nfs/dbraw/zinc/74/50/28/543745028.db2.gz YGXXNBNPKGBKKY-ZWNOBZJWSA-N 0 3 350.375 2.366 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000124667493 543836348 /nfs/dbraw/zinc/83/63/48/543836348.db2.gz CHYVQKBAHWVQJZ-GUYCJALGSA-N 0 3 357.414 2.335 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000129076893 544089338 /nfs/dbraw/zinc/08/93/38/544089338.db2.gz RRAJWBLCTLMCBJ-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000136152001 544367891 /nfs/dbraw/zinc/36/78/91/544367891.db2.gz HYOWVOXIRTURBS-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000137566969 544391736 /nfs/dbraw/zinc/39/17/36/544391736.db2.gz BKICMUVXWBKUDV-GFCCVEGCSA-N 0 3 353.444 2.015 20 5 FEBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000151161452 544511470 /nfs/dbraw/zinc/51/14/70/544511470.db2.gz WJUSPGUFMKPEKI-OAHLLOKOSA-N 0 3 369.425 2.447 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152169897 544621028 /nfs/dbraw/zinc/62/10/28/544621028.db2.gz TXDWKJRDRCINOM-UHFFFAOYSA-N 0 3 355.460 2.231 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153652112 544803625 /nfs/dbraw/zinc/80/36/25/544803625.db2.gz JZVBKDHYYVKCOH-AWEZNQCLSA-N 0 3 363.462 2.298 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000153775970 544822215 /nfs/dbraw/zinc/82/22/15/544822215.db2.gz JFTYSUBUCHXPEC-LTDCPUDJSA-N 0 3 363.458 2.202 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OCCCO)CC1 ZINC000154998626 544975075 /nfs/dbraw/zinc/97/50/75/544975075.db2.gz DXRDDBFKDYMVSX-UHFFFAOYSA-N 0 3 365.430 2.095 20 5 FEBDHN CC(C)COC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181566580 327736417 /nfs/dbraw/zinc/73/64/17/327736417.db2.gz DDJINWYUGZCCCZ-HNNXBMFYSA-N 0 3 352.431 2.472 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000184587338 327874196 /nfs/dbraw/zinc/87/41/96/327874196.db2.gz QWQKHLGHDCMMON-HNNXBMFYSA-N 0 3 367.471 2.232 20 5 FEBDHN O=C(CCN1CCN(CC2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185192635 327904760 /nfs/dbraw/zinc/90/47/60/327904760.db2.gz TYEWFWKRXHHSCY-UHFFFAOYSA-N 0 3 350.394 2.090 20 5 FEBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000187458400 328027031 /nfs/dbraw/zinc/02/70/31/328027031.db2.gz BZYYVEQIWIKAHA-SFHVURJKSA-N 0 3 371.441 2.208 20 5 FEBDHN CC[C@@]1(CO)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187525210 328031581 /nfs/dbraw/zinc/03/15/81/328031581.db2.gz FESCGQZJXUKAEU-GOSISDBHSA-N 0 3 365.430 2.417 20 5 FEBDHN CSc1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188171262 328071000 /nfs/dbraw/zinc/07/10/00/328071000.db2.gz JQAMMJSACWCZAZ-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189694197 328162656 /nfs/dbraw/zinc/16/26/56/328162656.db2.gz NXEWQUVHWBECEI-UHFFFAOYSA-N 0 3 350.419 2.229 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000191889067 328286939 /nfs/dbraw/zinc/28/69/39/328286939.db2.gz MAPVLEUBGVPMGR-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN O=C(c1ccoc1)N1CCC(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194199747 328415175 /nfs/dbraw/zinc/41/51/75/328415175.db2.gz FXINDVLSBRPECA-UHFFFAOYSA-N 0 3 374.353 2.490 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3ccnn3CCO)CC2)c1 ZINC000195509720 328481136 /nfs/dbraw/zinc/48/11/36/328481136.db2.gz WUFBBBOYDWSTSF-UHFFFAOYSA-N 0 3 360.414 2.042 20 5 FEBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000078827462 325064814 /nfs/dbraw/zinc/06/48/14/325064814.db2.gz FDVNYUUFZKXTPH-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN Cn1cc(CNCCNC(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237916843 328534198 /nfs/dbraw/zinc/53/41/98/328534198.db2.gz NMWRYMBVPRSGHR-UHFFFAOYSA-N 0 3 369.381 2.108 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107873950 325636704 /nfs/dbraw/zinc/63/67/04/325636704.db2.gz SAILJAQHDBGXBC-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN CCN1CCN([C@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118999009 326117116 /nfs/dbraw/zinc/11/71/16/326117116.db2.gz VPRYIPKTLMXFLJ-AWEZNQCLSA-N 0 3 352.866 2.460 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120073986 326227569 /nfs/dbraw/zinc/22/75/69/326227569.db2.gz WIHHHAQWLMASHY-WMLDXEAASA-N 0 3 371.441 2.127 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000120724946 326282445 /nfs/dbraw/zinc/28/24/45/326282445.db2.gz ZYZUKISSEVZGQE-QWRGUYRKSA-N 0 3 368.821 2.128 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000121324294 326329635 /nfs/dbraw/zinc/32/96/35/326329635.db2.gz TUMZWZWXJCHNSO-UHFFFAOYSA-N 0 3 362.430 2.093 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000121404784 326335952 /nfs/dbraw/zinc/33/59/52/326335952.db2.gz FAZGWVYDXOQDLM-HNNXBMFYSA-N 0 3 363.462 2.441 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000122352466 326393562 /nfs/dbraw/zinc/39/35/62/326393562.db2.gz JHTBPTUYQPPIEZ-RISCZKNCSA-N 0 3 373.862 2.353 20 5 FEBDHN CCOc1ccc([C@@H](C)N[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674197 326739475 /nfs/dbraw/zinc/73/94/75/326739475.db2.gz DLZYZZWKQQRBMN-HUUCEWRRSA-N 0 3 350.463 2.280 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161610081 327004246 /nfs/dbraw/zinc/00/42/46/327004246.db2.gz KXHFURQZUSXFJE-AWEZNQCLSA-N 0 3 373.413 2.150 20 5 FEBDHN Nc1c(C(=O)N2CCCN(C3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000172421611 327200887 /nfs/dbraw/zinc/20/08/87/327200887.db2.gz RURUBBVBENXQPW-UHFFFAOYSA-N 0 3 350.394 2.407 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1[N+](=O)[O-] ZINC000173279749 327246171 /nfs/dbraw/zinc/24/61/71/327246171.db2.gz CBAHLYXTDDYCPJ-CVEARBPZSA-N 0 3 374.441 2.315 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173666553 327275112 /nfs/dbraw/zinc/27/51/12/327275112.db2.gz UGEWDTJAHWJUJW-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175290717 327384770 /nfs/dbraw/zinc/38/47/70/327384770.db2.gz GHTQYUPWASJAMH-QGZVFWFLSA-N 0 3 371.441 2.162 20 5 FEBDHN CCCc1n[nH]c(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264616427 329041331 /nfs/dbraw/zinc/04/13/31/329041331.db2.gz RHOUWGMETDFGNL-UHFFFAOYSA-N 0 3 371.441 2.449 20 5 FEBDHN COc1cc(C(=O)N2CCCN(C(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000265938739 329174830 /nfs/dbraw/zinc/17/48/30/329174830.db2.gz IFQDFOIKVXVHRG-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986805 329179373 /nfs/dbraw/zinc/17/93/73/329179373.db2.gz KVRHHJQCCWMCBM-DGCLKSJQSA-N 0 3 351.403 2.024 20 5 FEBDHN O=C(Nc1cccc(F)c1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266013859 329181946 /nfs/dbraw/zinc/18/19/46/329181946.db2.gz OGBOKUBWHZQXNS-UHFFFAOYSA-N 0 3 361.377 2.281 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000267115192 329293515 /nfs/dbraw/zinc/29/35/15/329293515.db2.gz YQAAIZYZYROBQL-UHFFFAOYSA-N 0 3 367.413 2.456 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268035797 329379283 /nfs/dbraw/zinc/37/92/83/329379283.db2.gz ZNCJGFFTUTTWOC-UHFFFAOYSA-N 0 3 362.342 2.300 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821021 330208007 /nfs/dbraw/zinc/20/80/07/330208007.db2.gz SLDRKOSWJANOFC-CRAIPNDOSA-N 0 3 371.441 2.160 20 5 FEBDHN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000173683528 546285477 /nfs/dbraw/zinc/28/54/77/546285477.db2.gz YGYMLBXZSLVTKL-LSDHHAIUSA-N 0 3 361.446 2.267 20 5 FEBDHN C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000480461476 561209797 /nfs/dbraw/zinc/20/97/97/561209797.db2.gz PYXTVNQDVLSXLD-GFCCVEGCSA-N 0 3 357.414 2.454 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000480756569 561216177 /nfs/dbraw/zinc/21/61/77/561216177.db2.gz KDLXHKHEBKVKJY-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000177347453 546597442 /nfs/dbraw/zinc/59/74/42/546597442.db2.gz SQTSIGJZXLDVJL-ZDUSSCGKSA-N 0 3 355.460 2.432 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180163201 547061210 /nfs/dbraw/zinc/06/12/10/547061210.db2.gz WRMVCACAYVZOOC-CRAIPNDOSA-N 0 3 357.414 2.051 20 5 FEBDHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000483218971 561271016 /nfs/dbraw/zinc/27/10/16/561271016.db2.gz IYRTYZFXQYFWJZ-UHFFFAOYSA-N 0 3 358.398 2.329 20 5 FEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182335752 547475279 /nfs/dbraw/zinc/47/52/79/547475279.db2.gz ZPVVXPPDAMAYKU-DETPVDSQSA-N 0 3 351.403 2.478 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000183288312 547632413 /nfs/dbraw/zinc/63/24/13/547632413.db2.gz MJZRGPMJHMBBDD-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1CCOC ZINC000184759403 547876079 /nfs/dbraw/zinc/87/60/79/547876079.db2.gz OBYWVITUQOWQSG-SJLPKXTDSA-N 0 3 363.458 2.391 20 5 FEBDHN C[NH+](C)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000185098005 547933025 /nfs/dbraw/zinc/93/30/25/547933025.db2.gz ZGSFHHGCIUKXRA-UHFFFAOYSA-N 0 3 359.423 2.134 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)(CO)CC1 ZINC000186973147 548232157 /nfs/dbraw/zinc/23/21/57/548232157.db2.gz YDUZJSVXBXUTOH-UHFFFAOYSA-N 0 3 351.403 2.026 20 5 FEBDHN N[C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000194281331 548459690 /nfs/dbraw/zinc/45/96/90/548459690.db2.gz JSUMACOTNORWLV-SFHVURJKSA-N 0 3 354.410 2.334 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876076 561358758 /nfs/dbraw/zinc/35/87/58/561358758.db2.gz BLKBPLFXSIHDLR-GXFFZTMASA-N 0 3 364.402 2.294 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000245546817 548943385 /nfs/dbraw/zinc/94/33/85/548943385.db2.gz WTCJZBAIHSMYPP-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1CC ZINC000246127133 549058364 /nfs/dbraw/zinc/05/83/64/549058364.db2.gz JJHDEDZOXVDWHV-ZBFHGGJFSA-N 0 3 367.471 2.405 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246250539 549088456 /nfs/dbraw/zinc/08/84/56/549088456.db2.gz JFTYSUBUCHXPEC-QGWWYQLQSA-N 0 3 363.458 2.202 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)s1 ZINC000246392252 549122865 /nfs/dbraw/zinc/12/28/65/549122865.db2.gz PKONERWFIYQWLE-AAEUAGOBSA-N 0 3 371.484 2.294 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000247076151 549278789 /nfs/dbraw/zinc/27/87/89/549278789.db2.gz YVARICPIZZZAMI-GJZGRUSLSA-N 0 3 361.398 2.080 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000248958612 549532354 /nfs/dbraw/zinc/53/23/54/549532354.db2.gz BVXCYSAEDJQOAO-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000249137580 549559271 /nfs/dbraw/zinc/55/92/71/549559271.db2.gz YYJUGOISSFARBA-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797179 550307837 /nfs/dbraw/zinc/30/78/37/550307837.db2.gz FJJFPMKIRFGPPQ-PKOBYXMFSA-N 0 3 369.421 2.208 20 5 FEBDHN COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668277 550393692 /nfs/dbraw/zinc/39/36/92/550393692.db2.gz MPCAWHXPHKVLAI-GUYCJALGSA-N 0 3 374.393 2.472 20 5 FEBDHN COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668273 550393930 /nfs/dbraw/zinc/39/39/30/550393930.db2.gz MPCAWHXPHKVLAI-CXAGYDPISA-N 0 3 374.393 2.472 20 5 FEBDHN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1=CCN(C)CC1 ZINC000272651722 550463250 /nfs/dbraw/zinc/46/32/50/550463250.db2.gz ARNZJHNONOBCGL-ZDUSSCGKSA-N 0 3 355.398 2.161 20 5 FEBDHN C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CCN(C)CC1 ZINC000272969752 550479068 /nfs/dbraw/zinc/47/90/68/550479068.db2.gz OHPHFWUTIWMPEK-OAHLLOKOSA-N 0 3 373.457 2.077 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273343501 550494954 /nfs/dbraw/zinc/49/49/54/550494954.db2.gz AZGXNJJLJZFAGQ-CYBMUJFWSA-N 0 3 367.425 2.129 20 5 FEBDHN Nc1c(F)c(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000274638813 550547300 /nfs/dbraw/zinc/54/73/00/550547300.db2.gz DVYUKUAFTJGKJE-CQSZACIVSA-N 0 3 360.389 2.147 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074435 550628918 /nfs/dbraw/zinc/62/89/18/550628918.db2.gz SWAIDEJKGXFPEI-ZBFHGGJFSA-N 0 3 358.442 2.408 20 5 FEBDHN C[C@@H]1NCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H]1C ZINC000277490389 550677038 /nfs/dbraw/zinc/67/70/38/550677038.db2.gz NSZNMWAGBBOYDA-YUMQZZPRSA-N 0 3 360.183 2.319 20 5 FEBDHN C[C@H]1NCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H]1C ZINC000277490386 550677083 /nfs/dbraw/zinc/67/70/83/550677083.db2.gz NSZNMWAGBBOYDA-SFYZADRCSA-N 0 3 360.183 2.319 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCN1C1CCCC1 ZINC000277853908 550721689 /nfs/dbraw/zinc/72/16/89/550721689.db2.gz CQJKVGBALLSRMH-INIZCTEOSA-N 0 3 357.414 2.494 20 5 FEBDHN Cc1cc(=O)n(C[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278544871 550797895 /nfs/dbraw/zinc/79/78/95/550797895.db2.gz KMTHGBKUOZNQAH-QGZVFWFLSA-N 0 3 357.410 2.356 20 5 FEBDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225225 550866867 /nfs/dbraw/zinc/86/68/67/550866867.db2.gz IOFJLJAKPRNADY-NXHRZFHOSA-N 0 3 359.426 2.495 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270485 550871911 /nfs/dbraw/zinc/87/19/11/550871911.db2.gz NHLCZVWDMUUDTD-ATZDWAIDSA-N 0 3 371.437 2.421 20 5 FEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280604837 551012564 /nfs/dbraw/zinc/01/25/64/551012564.db2.gz VKAHKCXBVXROAV-GOSISDBHSA-N 0 3 363.414 2.193 20 5 FEBDHN CN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281684050 551130411 /nfs/dbraw/zinc/13/04/11/551130411.db2.gz YMNRNCGGYSSQPO-UHFFFAOYSA-N 0 3 361.851 2.355 20 5 FEBDHN CCOc1ccc(NC(=O)CNC(CC)(CC)CCO)c([N+](=O)[O-])c1 ZINC000282490468 551236819 /nfs/dbraw/zinc/23/68/19/551236819.db2.gz PTURYBCVNVMWCL-UHFFFAOYSA-N 0 3 353.419 2.463 20 5 FEBDHN COc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282965893 551290936 /nfs/dbraw/zinc/29/09/36/551290936.db2.gz YSCGHVIWLYOXFM-RHSMWYFYSA-N 0 3 350.415 2.261 20 5 FEBDHN Cc1c(CC(=O)Nc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000497696265 561506662 /nfs/dbraw/zinc/50/66/62/561506662.db2.gz LYUCJXSTKYWOPY-UHFFFAOYSA-N 0 3 358.398 2.420 20 5 FEBDHN O=C(CCN1CCS[C@@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295485 551343229 /nfs/dbraw/zinc/34/32/29/551343229.db2.gz MZKUTHMEIBOVKS-HUUCEWRRSA-N 0 3 351.428 2.130 20 5 FEBDHN CN1CC[C@@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284650633 551598702 /nfs/dbraw/zinc/59/87/02/551598702.db2.gz WTMHZEXPPBLHKE-KBPBESRZSA-N 0 3 356.220 2.267 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000285507773 551766911 /nfs/dbraw/zinc/76/69/11/551766911.db2.gz FTLHZGQBWQEEMU-PBWFPOADSA-N 0 3 353.444 2.149 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117781 551965686 /nfs/dbraw/zinc/96/56/86/551965686.db2.gz MBNLOWPSFXPFKB-ZBFHGGJFSA-N 0 3 369.425 2.479 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290018456 552414643 /nfs/dbraw/zinc/41/46/43/552414643.db2.gz JTPOFNYHQZSGCA-LLVKDONJSA-N 0 3 370.837 2.423 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000500936239 561586001 /nfs/dbraw/zinc/58/60/01/561586001.db2.gz PSPITJIJRSTUBK-ZBFHGGJFSA-N 0 3 369.487 2.272 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292370622 552720473 /nfs/dbraw/zinc/72/04/73/552720473.db2.gz RZGGACVTARYTNJ-ZDUSSCGKSA-N 0 3 362.430 2.477 20 5 FEBDHN CC(C)[C@]1(CO)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162441 552794614 /nfs/dbraw/zinc/79/46/14/552794614.db2.gz UYEWGBAHZIGBHM-SJLPKXTDSA-N 0 3 352.431 2.065 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293499242 552829984 /nfs/dbraw/zinc/82/99/84/552829984.db2.gz VWPCOBICIQXKRM-CYBMUJFWSA-N 0 3 374.441 2.175 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000295862958 553069145 /nfs/dbraw/zinc/06/91/45/553069145.db2.gz DYUOKLHZHSGEML-MAUKXSAKSA-N 0 3 362.426 2.226 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000298276691 553407125 /nfs/dbraw/zinc/40/71/25/553407125.db2.gz WXBSPYIBMPLYET-INIZCTEOSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000299733877 553609769 /nfs/dbraw/zinc/60/97/69/553609769.db2.gz ZCLDXQUXLFHZOD-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1C ZINC000301444604 553652020 /nfs/dbraw/zinc/65/20/20/553652020.db2.gz VEXYYXPCXGUPCG-DZGCQCFKSA-N 0 3 371.441 2.478 20 5 FEBDHN CN(C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000301539065 553658913 /nfs/dbraw/zinc/65/89/13/553658913.db2.gz NMRBIKAXXJAZBM-UHFFFAOYSA-N 0 3 355.196 2.254 20 5 FEBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302386681 553715788 /nfs/dbraw/zinc/71/57/88/553715788.db2.gz ATFYTKJDAKVNMZ-ZDUSSCGKSA-N 0 3 364.475 2.360 20 5 FEBDHN Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437110 553716696 /nfs/dbraw/zinc/71/66/96/553716696.db2.gz MMABKGSWFIOKBT-GJZGRUSLSA-N 0 3 371.441 2.252 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000330422138 554119815 /nfs/dbraw/zinc/11/98/15/554119815.db2.gz SBWMZNMQBDODDN-UHFFFAOYSA-N 0 3 355.460 2.444 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330828506 554176101 /nfs/dbraw/zinc/17/61/01/554176101.db2.gz SVUMDBZTYIZIDS-UHFFFAOYSA-N 0 3 355.460 2.229 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000331013576 554201347 /nfs/dbraw/zinc/20/13/47/554201347.db2.gz WQGKVAPCILGKPP-ZDUSSCGKSA-N 0 3 357.476 2.466 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331892484 554340427 /nfs/dbraw/zinc/34/04/27/554340427.db2.gz FSSAEWGLOBIFCP-LBPRGKRZSA-N 0 3 371.434 2.338 20 5 FEBDHN CC1(C)C[C@H](N[C@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021949 554365262 /nfs/dbraw/zinc/36/52/62/554365262.db2.gz RCCSOYLWEISQLW-LRDDRELGSA-N 0 3 367.471 2.331 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332246679 554409120 /nfs/dbraw/zinc/40/91/20/554409120.db2.gz ATUWWGUHSOSBHT-RYUDHWBXSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332246679 554409124 /nfs/dbraw/zinc/40/91/24/554409124.db2.gz ATUWWGUHSOSBHT-RYUDHWBXSA-N 0 3 359.835 2.153 20 5 FEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000363695445 555166349 /nfs/dbraw/zinc/16/63/49/555166349.db2.gz BBFUEXDYJRGZNQ-IAGOWNOFSA-N 0 3 372.400 2.367 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000363922570 555214869 /nfs/dbraw/zinc/21/48/69/555214869.db2.gz QURUXDGZIMLEHR-HNNXBMFYSA-N 0 3 363.418 2.108 20 5 FEBDHN CN1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000512556811 561908913 /nfs/dbraw/zinc/90/89/13/561908913.db2.gz HFDQJWIOJMYYAV-UHFFFAOYSA-N 0 3 362.474 2.015 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366030477 555731518 /nfs/dbraw/zinc/73/15/18/555731518.db2.gz FMFFYTSPLHLDNT-KRWDZBQOSA-N 0 3 361.446 2.227 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000366202309 555780480 /nfs/dbraw/zinc/78/04/80/555780480.db2.gz OAVFZMASJUCBHR-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651926 556105804 /nfs/dbraw/zinc/10/58/04/556105804.db2.gz YDEAFMHIPPKOAK-YOEHRIQHSA-N 0 3 369.425 2.479 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368561417 556346199 /nfs/dbraw/zinc/34/61/99/556346199.db2.gz KHDWWVKTNLNWKZ-CYBMUJFWSA-N 0 3 353.854 2.107 20 5 FEBDHN CCOc1cccc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000368871303 556434402 /nfs/dbraw/zinc/43/44/02/556434402.db2.gz XQNJJQISAWPGAR-HZPDHXFCSA-N 0 3 362.474 2.456 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1nnc2n1CCOC2 ZINC000368989722 556469263 /nfs/dbraw/zinc/46/92/63/556469263.db2.gz KDZUOBVZGZRALV-UKRRQHHQSA-N 0 3 357.414 2.218 20 5 FEBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369316148 556572914 /nfs/dbraw/zinc/57/29/14/556572914.db2.gz YPENJEOKDVEJGZ-CQSZACIVSA-N 0 3 363.414 2.193 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000369698225 556671908 /nfs/dbraw/zinc/67/19/08/556671908.db2.gz VAFMLOVADHEAGT-NFAHFFEMSA-N 0 3 359.426 2.320 20 5 FEBDHN Nc1c(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000370156959 556796231 /nfs/dbraw/zinc/79/62/31/556796231.db2.gz VGGRSNVWBJLFJR-HNNXBMFYSA-N 0 3 369.425 2.214 20 5 FEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516866703 562061542 /nfs/dbraw/zinc/06/15/42/562061542.db2.gz LWKGIWZNOKXOHY-SNVBAGLBSA-N 0 3 369.365 2.409 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827259 556981152 /nfs/dbraw/zinc/98/11/52/556981152.db2.gz RIEQAXZKDWYYBR-OCCSQVGLSA-N 0 3 373.331 2.207 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227268 557112772 /nfs/dbraw/zinc/11/27/72/557112772.db2.gz CIQQXWVPVXUXBJ-ABAIWWIYSA-N 0 3 363.805 2.394 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227268 557112777 /nfs/dbraw/zinc/11/27/77/557112777.db2.gz CIQQXWVPVXUXBJ-ABAIWWIYSA-N 0 3 363.805 2.394 20 5 FEBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371334866 557150650 /nfs/dbraw/zinc/15/06/50/557150650.db2.gz HKGORJASVHJGPK-HNNXBMFYSA-N 0 3 352.398 2.348 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371356065 557158623 /nfs/dbraw/zinc/15/86/23/557158623.db2.gz VAZNUKOUYODDQD-RUEXWFJESA-N 0 3 372.469 2.092 20 5 FEBDHN COc1cc(C(=O)NCC(C)(C)N2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000518082454 562104084 /nfs/dbraw/zinc/10/40/84/562104084.db2.gz QYLKPNQLLVDPJH-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517867690 562099522 /nfs/dbraw/zinc/09/95/22/562099522.db2.gz XASAQUIPHSLIBD-ZDUSSCGKSA-N 0 3 355.822 2.431 20 5 FEBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518796735 562118844 /nfs/dbraw/zinc/11/88/44/562118844.db2.gz WLJHGMRYUIWMPY-UHFFFAOYSA-N 0 3 369.393 2.079 20 5 FEBDHN COC(=O)c1ccccc1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240827 557656699 /nfs/dbraw/zinc/65/66/99/557656699.db2.gz IICGXCXYXKGLKL-UHFFFAOYSA-N 0 3 374.397 2.294 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000373804152 557762641 /nfs/dbraw/zinc/76/26/41/557762641.db2.gz GQXCWSOMYCJFES-SJLPKXTDSA-N 0 3 363.414 2.193 20 5 FEBDHN CCN1CCC(N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000373980099 557800302 /nfs/dbraw/zinc/80/03/02/557800302.db2.gz BZXRYDQPMBYZDX-UHFFFAOYSA-N 0 3 363.462 2.274 20 5 FEBDHN COc1cccc([C@@H]2[C@H](NCc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850214 557940596 /nfs/dbraw/zinc/94/05/96/557940596.db2.gz KVBGPXUPSKFCFU-SJLPKXTDSA-N 0 3 371.441 2.405 20 5 FEBDHN O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967339 557957413 /nfs/dbraw/zinc/95/74/13/557957413.db2.gz AXXRAPNIRRJKJQ-HRCADAONSA-N 0 3 369.425 2.348 20 5 FEBDHN O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967339 557957414 /nfs/dbraw/zinc/95/74/14/557957414.db2.gz AXXRAPNIRRJKJQ-HRCADAONSA-N 0 3 369.425 2.348 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375038734 557968105 /nfs/dbraw/zinc/96/81/05/557968105.db2.gz LVOPSONJDKXPAF-NHYWBVRUSA-N 0 3 352.822 2.213 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098608 557977823 /nfs/dbraw/zinc/97/78/23/557977823.db2.gz CBEYEYYXBMACQZ-MLGOLLRUSA-N 0 3 370.409 2.254 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375098608 557977825 /nfs/dbraw/zinc/97/78/25/557977825.db2.gz CBEYEYYXBMACQZ-MLGOLLRUSA-N 0 3 370.409 2.254 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC1(C2CC2)CCOCC1 ZINC000375700592 558069732 /nfs/dbraw/zinc/06/97/32/558069732.db2.gz HCNQNGSKXPIUAS-LBPRGKRZSA-N 0 3 363.414 2.479 20 5 FEBDHN CCc1cc(N[C@H]2CCN(CCOC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521667046 562181731 /nfs/dbraw/zinc/18/17/31/562181731.db2.gz PHKJNXYAXWNDDO-INIZCTEOSA-N 0 3 371.441 2.169 20 5 FEBDHN CCCN1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000376493796 558180814 /nfs/dbraw/zinc/18/08/14/558180814.db2.gz BJZLCHQJKXQXEU-UHFFFAOYSA-N 0 3 360.418 2.098 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569793 558191997 /nfs/dbraw/zinc/19/19/97/558191997.db2.gz PXSXQGCPZYQMOT-KSSFIOAISA-N 0 3 369.425 2.479 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c1 ZINC000377725900 558406108 /nfs/dbraw/zinc/40/61/08/558406108.db2.gz RJEHCUAMCQRYFN-BBRMVZONSA-N 0 3 350.806 2.153 20 5 FEBDHN Cc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000522852139 562204912 /nfs/dbraw/zinc/20/49/12/562204912.db2.gz HQQJJNXLUYFYRB-OAHLLOKOSA-N 0 3 350.419 2.478 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000523381593 562212158 /nfs/dbraw/zinc/21/21/58/562212158.db2.gz HQBPVECLEYIWMK-UHFFFAOYSA-N 0 3 369.425 2.014 20 5 FEBDHN CN1CCCC12CCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000408103532 558646506 /nfs/dbraw/zinc/64/65/06/558646506.db2.gz IBYJNVKFRZPKEY-UHFFFAOYSA-N 0 3 353.444 2.063 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105926 562240636 /nfs/dbraw/zinc/24/06/36/562240636.db2.gz BYPVXSXDDJIIMZ-UWVGGRQHSA-N 0 3 373.356 2.417 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411258983 558862323 /nfs/dbraw/zinc/86/23/23/558862323.db2.gz AEVKJNMCAUSEJH-INIZCTEOSA-N 0 3 374.441 2.222 20 5 FEBDHN CO[C@H]1c2ccccc2C[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411885793 558983104 /nfs/dbraw/zinc/98/31/04/558983104.db2.gz JQXCZRUMMAHCIJ-LZQZEXGQSA-N 0 3 358.394 2.237 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412119814 559015511 /nfs/dbraw/zinc/01/55/11/559015511.db2.gz CZLQVXJLHYOROF-FGTMMUONSA-N 0 3 361.442 2.268 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289771 559025267 /nfs/dbraw/zinc/02/52/67/559025267.db2.gz NWFLNAHJRSIUOL-ZOCIIQOWSA-N 0 3 373.453 2.410 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1F ZINC000413630160 559121399 /nfs/dbraw/zinc/12/13/99/559121399.db2.gz KIRGPNWCEHBMDH-GXTWGEPZSA-N 0 3 365.405 2.228 20 5 FEBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CNCCC1(F)F ZINC000414947700 559196644 /nfs/dbraw/zinc/19/66/44/559196644.db2.gz LDDCEBSQGVMKBR-SNVBAGLBSA-N 0 3 366.271 2.315 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000415635856 559257108 /nfs/dbraw/zinc/25/71/08/559257108.db2.gz FAQXOAIBRHMELV-UHFFFAOYSA-N 0 3 368.393 2.015 20 5 FEBDHN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)CN1CCCC1 ZINC000416097777 559291882 /nfs/dbraw/zinc/29/18/82/559291882.db2.gz GCJOCENYKQIJSU-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN COc1cc(CNCC2(N(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000418116563 559390610 /nfs/dbraw/zinc/39/06/10/559390610.db2.gz QYBSDANDYMVBBY-UHFFFAOYSA-N 0 3 359.373 2.431 20 5 FEBDHN Cc1cc(N2C[C@@H](C)N(CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001115 559425154 /nfs/dbraw/zinc/42/51/54/559425154.db2.gz LHNHHSKGJLVVFA-CABCVRRESA-N 0 3 371.441 2.252 20 5 FEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420384772 559484438 /nfs/dbraw/zinc/48/44/38/559484438.db2.gz GTSZJWQXNATXEX-UYHISHBKSA-N 0 3 372.400 2.488 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420615058 559493952 /nfs/dbraw/zinc/49/39/52/559493952.db2.gz ZIURJKYQUWJKBH-YOEHRIQHSA-N 0 3 369.425 2.218 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCc4nnnn4CC3)cs2)c1 ZINC000421399056 559541257 /nfs/dbraw/zinc/54/12/57/559541257.db2.gz PJNYYGDNAVRFJS-LBPRGKRZSA-N 0 3 371.426 2.200 20 5 FEBDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425516164 559707263 /nfs/dbraw/zinc/70/72/63/559707263.db2.gz UJWYYPDQXOYFJC-ZDUSSCGKSA-N 0 3 368.821 2.339 20 5 FEBDHN CN1C[C@@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C[C@@H]2C1 ZINC000427789968 559762584 /nfs/dbraw/zinc/76/25/84/559762584.db2.gz PSPVYXGJYLCBCO-BETUJISGSA-N 0 3 365.408 2.454 20 5 FEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000427958221 559766223 /nfs/dbraw/zinc/76/62/23/559766223.db2.gz MQBVLNRTPBJDAH-VIFPVBQESA-N 0 3 369.365 2.409 20 5 FEBDHN O=C1[C@@H](N[C@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226498 559793257 /nfs/dbraw/zinc/79/32/57/559793257.db2.gz KUHYNZYOHGYBOC-GUYCJALGSA-N 0 3 353.378 2.163 20 5 FEBDHN COC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433017083 559870111 /nfs/dbraw/zinc/87/01/11/559870111.db2.gz XDKBEDIZCDMVIC-UHOFOFEASA-N 0 3 351.403 2.096 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1CCO ZINC000438642869 559981643 /nfs/dbraw/zinc/98/16/43/559981643.db2.gz CGTZLYAFGRHBTE-CQSZACIVSA-N 0 3 353.444 2.032 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@@H]1CCO ZINC000438642868 559981680 /nfs/dbraw/zinc/98/16/80/559981680.db2.gz CGTZLYAFGRHBTE-AWEZNQCLSA-N 0 3 353.444 2.032 20 5 FEBDHN CN(C)C(=O)CCN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000440592515 560014762 /nfs/dbraw/zinc/01/47/62/560014762.db2.gz GUVDRYACNRNEJE-UHFFFAOYSA-N 0 3 356.373 2.228 20 5 FEBDHN CC(C)CN(Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441549290 560035450 /nfs/dbraw/zinc/03/54/50/560035450.db2.gz XCYIHLRRMQJMKJ-INIZCTEOSA-N 0 3 350.394 2.450 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443765910 560092122 /nfs/dbraw/zinc/09/21/22/560092122.db2.gz TZYLUFWWPMNYPF-UKRRQHHQSA-N 0 3 355.460 2.229 20 5 FEBDHN CCc1[nH]nc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000444277127 560107883 /nfs/dbraw/zinc/10/78/83/560107883.db2.gz PPPMJLXDJOUVPY-UHFFFAOYSA-N 0 3 373.413 2.089 20 5 FEBDHN CN(C)CCOCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290826 560108251 /nfs/dbraw/zinc/10/82/51/560108251.db2.gz PGIYLAMFBHORNC-UHFFFAOYSA-N 0 3 371.412 2.128 20 5 FEBDHN O=C(NCCNc1ccncc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444652818 560117687 /nfs/dbraw/zinc/11/76/87/560117687.db2.gz UMOJZGBOKUATSC-UHFFFAOYSA-N 0 3 358.401 2.340 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCN1CCN(C)CC1 ZINC000447802313 560169439 /nfs/dbraw/zinc/16/94/39/560169439.db2.gz JOCCSDBHANPEPS-UHFFFAOYSA-N 0 3 370.837 2.084 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985941 560247344 /nfs/dbraw/zinc/24/73/44/560247344.db2.gz NPPFVLDMXPESEW-SJKOYZFVSA-N 0 3 357.414 2.397 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@]1(N(C)C)CCSC1 ZINC000450365281 560259970 /nfs/dbraw/zinc/25/99/70/560259970.db2.gz NNQVLXZLOZJZGD-QGZVFWFLSA-N 0 3 362.455 2.423 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CN2CCCC2)c1C ZINC000452090199 560350488 /nfs/dbraw/zinc/35/04/88/560350488.db2.gz URFMHXYHTNPYNR-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452386276 560362506 /nfs/dbraw/zinc/36/25/06/560362506.db2.gz WQCKOJGTWWMTSS-IAGOWNOFSA-N 0 3 363.458 2.127 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457095117 560548338 /nfs/dbraw/zinc/54/83/38/560548338.db2.gz PIYOEPVHNUYPHL-AWEZNQCLSA-N 0 3 367.471 2.234 20 5 FEBDHN CSC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000460969719 560757772 /nfs/dbraw/zinc/75/77/72/560757772.db2.gz ONPLVCLKUKROAY-UHFFFAOYSA-N 0 3 355.435 2.220 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713617 560915560 /nfs/dbraw/zinc/91/55/60/560915560.db2.gz MVPPIATZXHFMAN-QFYYESIMSA-N 0 3 356.382 2.061 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](OCCN2CCCCC2)C1 ZINC000469932574 560969311 /nfs/dbraw/zinc/96/93/11/560969311.db2.gz KUSHPVQZYKHBRQ-KRWDZBQOSA-N 0 3 361.442 2.241 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000471170102 560999621 /nfs/dbraw/zinc/99/96/21/560999621.db2.gz SSEMKUIAVIZWRU-CYBMUJFWSA-N 0 3 371.397 2.496 20 5 FEBDHN CNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603152 561030795 /nfs/dbraw/zinc/03/07/95/561030795.db2.gz CDFYDYWQOPTZEY-HZPDHXFCSA-N 0 3 357.414 2.424 20 5 FEBDHN Cn1c(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000473518736 561051824 /nfs/dbraw/zinc/05/18/24/561051824.db2.gz APULETRSJDPODD-UHFFFAOYSA-N 0 3 374.363 2.468 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000473940008 561061301 /nfs/dbraw/zinc/06/13/01/561061301.db2.gz LPBVSPRGFVSQQE-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475097277 561090397 /nfs/dbraw/zinc/09/03/97/561090397.db2.gz YUKSSYMNGBJKGQ-GDBMZVCRSA-N 0 3 366.414 2.130 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000475706400 561102805 /nfs/dbraw/zinc/10/28/05/561102805.db2.gz PBWDYBPYVHMAGH-HUUCEWRRSA-N 0 3 364.398 2.148 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000530710806 562421395 /nfs/dbraw/zinc/42/13/95/562421395.db2.gz SQJHOOISVBUZHM-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000532122259 562467663 /nfs/dbraw/zinc/46/76/63/562467663.db2.gz GLIIUYWYJWZJGF-UHFFFAOYSA-N 0 3 369.468 2.341 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536856633 562581597 /nfs/dbraw/zinc/58/15/97/562581597.db2.gz GVYXVXQQNGCCKT-CHWSQXEVSA-N 0 3 355.460 2.287 20 5 FEBDHN CS[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000541843664 567951738 /nfs/dbraw/zinc/95/17/38/567951738.db2.gz HXOLGFAFJGXLOW-HOTGVXAUSA-N 0 3 364.471 2.045 20 5 FEBDHN CNC(=O)C(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574662 567996508 /nfs/dbraw/zinc/99/65/08/567996508.db2.gz LDYYNHQRTXYTDA-UHFFFAOYSA-N 0 3 350.238 2.281 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CCO)CCCCC2)cc1 ZINC000570044322 568443210 /nfs/dbraw/zinc/44/32/10/568443210.db2.gz FBSUMKUFPXHYHH-UHFFFAOYSA-N 0 3 370.471 2.291 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000570626328 568492014 /nfs/dbraw/zinc/49/20/14/568492014.db2.gz HLVMIFCBQRAMBH-MISXGVKJSA-N 0 3 354.769 2.090 20 5 FEBDHN CN1CCC(NC(=S)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000809167224 674486140 /nfs/dbraw/zinc/48/61/40/674486140.db2.gz OILIDZUTUWPYOS-UHFFFAOYSA-N 0 3 361.471 2.177 20 5 FEBDHN C[C@H]1CC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822292 674512872 /nfs/dbraw/zinc/51/28/72/674512872.db2.gz GUCUDMICIOGIKY-VIFPVBQESA-N 0 3 365.814 2.007 20 5 FEBDHN C[C@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822292 674512876 /nfs/dbraw/zinc/51/28/76/674512876.db2.gz GUCUDMICIOGIKY-VIFPVBQESA-N 0 3 365.814 2.007 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000809860242 674517743 /nfs/dbraw/zinc/51/77/43/674517743.db2.gz IWLQKVJMHUBXCW-GFCCVEGCSA-N 0 3 361.439 2.441 20 5 FEBDHN CN1CCN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809918681 674519605 /nfs/dbraw/zinc/51/96/05/674519605.db2.gz ZIQGZCHXPPKILO-UHFFFAOYSA-N 0 3 369.853 2.397 20 5 FEBDHN CC[NH+](CC)[C@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180477 606451378 /nfs/dbraw/zinc/45/13/78/606451378.db2.gz DANXACIKOJQQIJ-LLVKDONJSA-N 0 3 370.417 2.465 20 5 FEBDHN CC[NH+](CC)[C@H](C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180477 606451379 /nfs/dbraw/zinc/45/13/79/606451379.db2.gz DANXACIKOJQQIJ-LLVKDONJSA-N 0 3 370.417 2.465 20 5 FEBDHN O=[N+]([O-])c1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000823635225 606645224 /nfs/dbraw/zinc/64/52/24/606645224.db2.gz UHUXGUJQZCACSR-UHFFFAOYSA-N 0 3 365.397 2.245 20 5 FEBDHN O=[N+]([O-])c1cc(NCC[N@H+]2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000823635225 606645225 /nfs/dbraw/zinc/64/52/25/606645225.db2.gz UHUXGUJQZCACSR-UHFFFAOYSA-N 0 3 365.397 2.245 20 5 FEBDHN COc1ccc(CNC[C@@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000559603071 674549265 /nfs/dbraw/zinc/54/92/65/674549265.db2.gz AZNGBJJTUJNJRB-CYBMUJFWSA-N 0 3 352.412 2.332 20 5 FEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])sc2nc3n(c(=O)c12)CCCCC3 ZINC000813103355 674719540 /nfs/dbraw/zinc/71/95/40/674719540.db2.gz PBKMGUNTKKHILB-SECBINFHSA-N 0 3 365.411 2.315 20 5 FEBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[N+](=O)[O-] ZINC000813106290 674720049 /nfs/dbraw/zinc/72/00/49/674720049.db2.gz ACTXIYOLRHYAFH-NXEZZACHSA-N 0 3 352.334 2.087 20 5 FEBDHN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112831 674721039 /nfs/dbraw/zinc/72/10/39/674721039.db2.gz UJDDMWFJSXYXOC-JSGCOSHPSA-N 0 3 354.428 2.055 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000563754172 674935833 /nfs/dbraw/zinc/93/58/33/674935833.db2.gz KUPMZKUFNAKIHV-CZUORRHYSA-N 0 3 355.460 2.229 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3cccc(Cl)c3F)C[C@H]2C1 ZINC001048814490 675015625 /nfs/dbraw/zinc/01/56/25/675015625.db2.gz OECYDBXNVMMVOU-QVHKTLOISA-N 0 3 367.808 2.035 20 5 FEBDHN Cc1c(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047147814 670235028 /nfs/dbraw/zinc/23/50/28/670235028.db2.gz VUKBCAQQVGSWEV-NSHDSACASA-N 0 3 350.375 2.273 20 5 FEBDHN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000610538797 675978675 /nfs/dbraw/zinc/97/86/75/675978675.db2.gz LAXYNUXAFSNCCV-ZDUSSCGKSA-N 0 3 363.439 2.495 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC1 ZINC000177958065 672387741 /nfs/dbraw/zinc/38/77/41/672387741.db2.gz ZRYZZZARORXSQK-UHFFFAOYSA-N 0 3 361.851 2.321 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(C(F)(F)F)C2)cc1 ZINC000591767449 672709322 /nfs/dbraw/zinc/70/93/22/672709322.db2.gz PSDCUWRJHOHHCU-UHFFFAOYSA-N 0 3 352.334 2.299 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](OC2CCC2)C1 ZINC000594027232 673022167 /nfs/dbraw/zinc/02/21/67/673022167.db2.gz SSUYFQGKWYNEJL-ZBFHGGJFSA-N 0 3 350.415 2.368 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000595119517 673196987 /nfs/dbraw/zinc/19/69/87/673196987.db2.gz DFOUGBUVVXOGCX-CHWSQXEVSA-N 0 3 367.452 2.080 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595409196 673245477 /nfs/dbraw/zinc/24/54/77/673245477.db2.gz BDRRZRMGHBPMMC-ZDUSSCGKSA-N 0 3 371.434 2.134 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000595409196 673245479 /nfs/dbraw/zinc/24/54/79/673245479.db2.gz BDRRZRMGHBPMMC-ZDUSSCGKSA-N 0 3 371.434 2.134 20 5 FEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000733160768 673401111 /nfs/dbraw/zinc/40/11/11/673401111.db2.gz SNVIMDFHTLUXPD-CQSZACIVSA-N 0 3 351.378 2.107 20 5 FEBDHN CCCN1CC[C@H](NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343372 673561516 /nfs/dbraw/zinc/56/15/16/673561516.db2.gz WHVXTYWIZZZHLX-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598600597 673588384 /nfs/dbraw/zinc/58/83/84/673588384.db2.gz VDDVPRIPIZFCIP-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN CCN1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000543208298 673632626 /nfs/dbraw/zinc/63/26/26/673632626.db2.gz SJBJYCRBKXHCEI-GDBMZVCRSA-N 0 3 369.487 2.173 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCCF)CC1 ZINC000599671199 673704579 /nfs/dbraw/zinc/70/45/79/673704579.db2.gz OJDUHFZESFDFGO-UHFFFAOYSA-N 0 3 352.410 2.209 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000600469850 673772098 /nfs/dbraw/zinc/77/20/98/673772098.db2.gz LKKMKQYRKWSCCD-LBPRGKRZSA-N 0 3 351.378 2.489 20 5 FEBDHN COc1ccc(OCCN2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1 ZINC000743843966 673773775 /nfs/dbraw/zinc/77/37/75/673773775.db2.gz HTPUBDJBAVIDNW-UHFFFAOYSA-N 0 3 352.387 2.067 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC000615293336 676211030 /nfs/dbraw/zinc/21/10/30/676211030.db2.gz KTJRSHNKYQKQHZ-CHWSQXEVSA-N 0 3 361.851 2.318 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C\CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225032 675271423 /nfs/dbraw/zinc/27/14/23/675271423.db2.gz SIHIOTIFNWCZNO-FOSCPCJNSA-N 0 3 351.403 2.299 20 5 FEBDHN C[C@H](NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000819332510 675282048 /nfs/dbraw/zinc/28/20/48/675282048.db2.gz DHHAPFGNGIFVDS-WFASDCNBSA-N 0 3 353.419 2.473 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C1CCN(C)CC1 ZINC000822128950 675470369 /nfs/dbraw/zinc/47/03/69/675470369.db2.gz WKAQWBRZDOVPKW-UHFFFAOYSA-N 0 3 368.821 2.373 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC1CCN(C)CC1 ZINC000822231327 675473717 /nfs/dbraw/zinc/47/37/17/675473717.db2.gz LPRARHXRMBCBLY-UHFFFAOYSA-N 0 3 354.794 2.031 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCN1 ZINC000825148288 675638887 /nfs/dbraw/zinc/63/88/87/675638887.db2.gz SIJNZGVNYOZHIS-AWEZNQCLSA-N 0 3 366.849 2.035 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825708339 675665031 /nfs/dbraw/zinc/66/50/31/675665031.db2.gz FUBLMTJDHBKOTJ-LBPRGKRZSA-N 0 3 355.822 2.397 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839571258 680762789 /nfs/dbraw/zinc/76/27/89/680762789.db2.gz MUGQAMMZDLZSPR-LLVKDONJSA-N 0 3 368.821 2.128 20 5 FEBDHN CS[C@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@H]1N(C)C ZINC000831299751 679963006 /nfs/dbraw/zinc/96/30/06/679963006.db2.gz MIDAKYKNJDVEDE-MNOVXSKESA-N 0 3 359.398 2.299 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1Cl ZINC001029305309 680387843 /nfs/dbraw/zinc/38/78/43/680387843.db2.gz XJJLJMPVNXQQGC-JYYAWHABSA-N 0 3 363.845 2.223 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836373835 680459919 /nfs/dbraw/zinc/45/99/19/680459919.db2.gz GTQNMZPRZUSLOF-UHFFFAOYSA-N 0 3 368.865 2.314 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CCN(CC=C(Cl)Cl)CC2 ZINC001040699201 680483548 /nfs/dbraw/zinc/48/35/48/680483548.db2.gz AEYAQTGYAQIZFM-VXGBXAGGSA-N 0 3 362.257 2.285 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767462277 680912739 /nfs/dbraw/zinc/91/27/39/680912739.db2.gz PNYPLSPXAXKOEL-INIZCTEOSA-N 0 3 366.849 2.162 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000776591550 681412662 /nfs/dbraw/zinc/41/26/62/681412662.db2.gz JSHCUWZMYXCTAB-QZTJIDSGSA-N 0 3 350.415 2.288 20 5 FEBDHN CCOc1cc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)ccc1[N+](=O)[O-] ZINC000914428618 685507807 /nfs/dbraw/zinc/50/78/07/685507807.db2.gz VKNIWHXOVPMNNG-INIZCTEOSA-N 0 3 370.427 2.188 20 5 FEBDHN CC([C@H](OC(=O)c1noc2c1COCC2)c1ccccc1F)[N+](=O)[O-] ZINC000857853561 682919823 /nfs/dbraw/zinc/91/98/23/682919823.db2.gz DKUYJFDERIFZGB-PSLIRLAXSA-N 0 3 350.302 2.450 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455801 683455391 /nfs/dbraw/zinc/45/53/91/683455391.db2.gz UKMFVGGJMKPOCH-PSASIEDQSA-N 0 3 359.329 2.027 20 5 FEBDHN CC1(C)O[C@@H]2C[C@@H](NCc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2O1 ZINC000922874738 683795873 /nfs/dbraw/zinc/79/58/73/683795873.db2.gz AYKHOEIKQBZGHZ-XGHVKYEFSA-N 0 3 350.371 2.138 20 5 FEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309186 684244275 /nfs/dbraw/zinc/24/42/75/684244275.db2.gz RDRIZMKOVBQKIE-KCJUWKMLSA-N 0 3 365.814 2.100 20 5 FEBDHN Cc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000867785832 684385417 /nfs/dbraw/zinc/38/54/17/684385417.db2.gz XUIYMURFSDZSEA-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCN(C(C)=O)CC1 ZINC000872021319 684916002 /nfs/dbraw/zinc/91/60/02/684916002.db2.gz BJLIOLISNGRRCT-CYBMUJFWSA-N 0 3 366.487 2.131 20 5 FEBDHN CCN1CC[C@@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000895669064 689752410 /nfs/dbraw/zinc/75/24/10/689752410.db2.gz YNGKTEWJNKWQHH-GFCCVEGCSA-N 0 3 359.373 2.431 20 5 FEBDHN CC(C)Oc1nc(NC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896523940 689885260 /nfs/dbraw/zinc/88/52/60/689885260.db2.gz CAVKBQUUTIZXLF-CQSZACIVSA-N 0 3 350.419 2.442 20 5 FEBDHN C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000900693639 690549179 /nfs/dbraw/zinc/54/91/79/690549179.db2.gz YZXSKCGJSVEOLQ-NSHDSACASA-N 0 3 372.828 2.001 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901058706 690606530 /nfs/dbraw/zinc/60/65/30/690606530.db2.gz XJPIYYQAUZGUOS-LBPRGKRZSA-N 0 3 371.796 2.370 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000906458559 691271726 /nfs/dbraw/zinc/27/17/26/691271726.db2.gz GQYUSJLTQICUNX-LSDHHAIUSA-N 0 3 367.833 2.160 20 5 FEBDHN CN(C)Cc1ccccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024643483 539736008 /nfs/dbraw/zinc/73/60/08/539736008.db2.gz XALPYSCXCXCOMN-UHFFFAOYSA-N 0 3 366.381 2.489 20 5 FEBDHN CCN1CCC(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000029608298 539858149 /nfs/dbraw/zinc/85/81/49/539858149.db2.gz AQBPIBXPBJPPAV-UHFFFAOYSA-N 0 3 373.356 2.419 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044572242 540130966 /nfs/dbraw/zinc/13/09/66/540130966.db2.gz QCBUZOVJXKLLOA-MRXNPFEDSA-N 0 3 360.458 2.412 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044572245 540131134 /nfs/dbraw/zinc/13/11/34/540131134.db2.gz QCBUZOVJXKLLOA-INIZCTEOSA-N 0 3 360.458 2.412 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000044960707 540146182 /nfs/dbraw/zinc/14/61/82/540146182.db2.gz CJRHQNPQQODEIR-UHFFFAOYSA-N 0 3 355.822 2.431 20 5 FEBDHN Nc1c(C(=O)NCCCN2CCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000048321555 540357158 /nfs/dbraw/zinc/35/71/58/540357158.db2.gz BGTFOWIMCANWBO-UHFFFAOYSA-N 0 3 372.400 2.494 20 5 FEBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053699296 540549895 /nfs/dbraw/zinc/54/98/95/540549895.db2.gz HFIMPOFGPUNHSM-ZDUSSCGKSA-N 0 3 355.460 2.384 20 5 FEBDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676256 540601786 /nfs/dbraw/zinc/60/17/86/540601786.db2.gz XXJBJYZCUCXBLH-ZDUSSCGKSA-N 0 3 359.386 2.494 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066483800 541325492 /nfs/dbraw/zinc/32/54/92/541325492.db2.gz ANRVSUBKIVAOQN-FCEWJHQRSA-N 0 3 365.474 2.275 20 5 FEBDHN CCOc1cc(C(=O)N(C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000071016618 541758551 /nfs/dbraw/zinc/75/85/51/541758551.db2.gz RUAPGEYYMPVFAS-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN CC[C@H](CO)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000072798239 541866993 /nfs/dbraw/zinc/86/69/93/541866993.db2.gz DHQQXIVUJBIAKI-MRXNPFEDSA-N 0 3 374.441 2.181 20 5 FEBDHN CN(CC1CC1)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000074772698 542120472 /nfs/dbraw/zinc/12/04/72/542120472.db2.gz PHQROJPXJVTRFQ-CQSZACIVSA-N 0 3 367.471 2.166 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000076387754 542271843 /nfs/dbraw/zinc/27/18/43/542271843.db2.gz URIDSAJLNPTBET-HNNXBMFYSA-N 0 3 371.441 2.223 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000076408255 542275472 /nfs/dbraw/zinc/27/54/72/542275472.db2.gz ATUWWGUHSOSBHT-NWDGAFQWSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000076408255 542275474 /nfs/dbraw/zinc/27/54/74/542275474.db2.gz ATUWWGUHSOSBHT-NWDGAFQWSA-N 0 3 359.835 2.153 20 5 FEBDHN Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080621772 542597704 /nfs/dbraw/zinc/59/77/04/542597704.db2.gz YXVLTRARJGKTAP-UHFFFAOYSA-N 0 3 366.849 2.301 20 5 FEBDHN COc1ccccc1COC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000092422113 542862854 /nfs/dbraw/zinc/86/28/54/542862854.db2.gz CMJXZAKXOIIKDD-UHFFFAOYSA-N 0 3 360.414 2.481 20 5 FEBDHN CN(CCC1CCN(c2ccncc2)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000092696265 542882449 /nfs/dbraw/zinc/88/24/49/542882449.db2.gz PRVDCRJLAIDNLI-UHFFFAOYSA-N 0 3 357.418 2.105 20 5 FEBDHN O=C(COc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccncc2)CC1 ZINC000093063859 542907109 /nfs/dbraw/zinc/90/71/09/542907109.db2.gz ZGAIENXDDNWNFU-UHFFFAOYSA-N 0 3 370.409 2.401 20 5 FEBDHN CN(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)Cc1ccccc1 ZINC000104437466 543131413 /nfs/dbraw/zinc/13/14/13/543131413.db2.gz VLWFAJJPXNXKON-UHFFFAOYSA-N 0 3 372.425 2.078 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292375 543392761 /nfs/dbraw/zinc/39/27/61/543392761.db2.gz WINOFJAFWBJZCI-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN Cn1cc(CNCCOC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115625533 543578603 /nfs/dbraw/zinc/57/86/03/543578603.db2.gz QQVAKVGNSZMILZ-QGZVFWFLSA-N 0 3 360.414 2.281 20 5 FEBDHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118113714 543645885 /nfs/dbraw/zinc/64/58/85/543645885.db2.gz OQBWTMBRQRSMCG-MRXNPFEDSA-N 0 3 362.430 2.304 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000125631163 543893088 /nfs/dbraw/zinc/89/30/88/543893088.db2.gz GOBOPMAMEGICQG-NEPJUHHUSA-N 0 3 359.473 2.070 20 5 FEBDHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128932608 544080923 /nfs/dbraw/zinc/08/09/23/544080923.db2.gz NHNUHWQASSFRAD-LBPRGKRZSA-N 0 3 367.377 2.338 20 5 FEBDHN Cc1nccn1CCCN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130851782 544168026 /nfs/dbraw/zinc/16/80/26/544168026.db2.gz HGINYTYKWJFPRN-UHFFFAOYSA-N 0 3 357.414 2.011 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000129962020 544133289 /nfs/dbraw/zinc/13/32/89/544133289.db2.gz AHQDDULAWOOVJR-BLLLJJGKSA-N 0 3 363.443 2.052 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130255715 544144474 /nfs/dbraw/zinc/14/44/74/544144474.db2.gz JJOWTDBDLTWWIL-MRXNPFEDSA-N 0 3 374.441 2.188 20 5 FEBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000130673071 544160574 /nfs/dbraw/zinc/16/05/74/544160574.db2.gz GMGYRZFJWKAHOG-UHFFFAOYSA-N 0 3 357.414 2.099 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865501 544380606 /nfs/dbraw/zinc/38/06/06/544380606.db2.gz XXKUAKIDZAGIBO-WOJBJXKFSA-N 0 3 371.437 2.291 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000146621471 544440447 /nfs/dbraw/zinc/44/04/47/544440447.db2.gz IQLFBZROOSRCJI-GFCCVEGCSA-N 0 3 373.862 2.415 20 5 FEBDHN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000150876680 544481885 /nfs/dbraw/zinc/48/18/85/544481885.db2.gz DJZMFJKRPYZLMY-ZFWWWQNUSA-N 0 3 356.430 2.456 20 5 FEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674045 544806759 /nfs/dbraw/zinc/80/67/59/544806759.db2.gz DLZYZZWKQQRBMN-LSDHHAIUSA-N 0 3 350.463 2.280 20 5 FEBDHN C[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180415986 327685418 /nfs/dbraw/zinc/68/54/18/327685418.db2.gz TXBQZVDAMANKNZ-SJCJKPOMSA-N 0 3 364.423 2.383 20 5 FEBDHN NC(=O)C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000180966669 327710345 /nfs/dbraw/zinc/71/03/45/327710345.db2.gz WQAXEAYIKGPTAA-INIZCTEOSA-N 0 3 363.414 2.375 20 5 FEBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181685717 327741738 /nfs/dbraw/zinc/74/17/38/327741738.db2.gz UTWCJCARAPLVQW-AWEZNQCLSA-N 0 3 369.377 2.457 20 5 FEBDHN CC1CCN(CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183469194 327819722 /nfs/dbraw/zinc/81/97/22/327819722.db2.gz SYPFAFGQTAMQGS-UHFFFAOYSA-N 0 3 369.487 2.179 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000188176384 328071317 /nfs/dbraw/zinc/07/13/17/328071317.db2.gz CQTSCKZNQVRPNS-HXUWFJFHSA-N 0 3 369.421 2.304 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188919253 328117900 /nfs/dbraw/zinc/11/79/00/328117900.db2.gz WITOYCHQKFMGAI-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN COc1cccc(C(=O)NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000192676980 328332675 /nfs/dbraw/zinc/33/26/75/328332675.db2.gz XMIZCGLIDSPFDE-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000193435407 328375426 /nfs/dbraw/zinc/37/54/26/328375426.db2.gz VZTUTMBBOOVQPL-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000193794179 328395675 /nfs/dbraw/zinc/39/56/75/328395675.db2.gz OAZGRSUPGNNWND-HNNXBMFYSA-N 0 3 357.414 2.063 20 5 FEBDHN Cc1cc(F)ccc1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000237628588 328522842 /nfs/dbraw/zinc/52/28/42/328522842.db2.gz YLTIGTDKHDZBSB-UHFFFAOYSA-N 0 3 367.402 2.110 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(n2ccnc2)CC1 ZINC000109794937 325677780 /nfs/dbraw/zinc/67/77/80/325677780.db2.gz MESHFEIUIOZPIB-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118117333 326082963 /nfs/dbraw/zinc/08/29/63/326082963.db2.gz HHXCOILQKLFMIS-JTQLQIEISA-N 0 3 356.810 2.033 20 5 FEBDHN CN(C)CCOc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000124328213 326451920 /nfs/dbraw/zinc/45/19/20/326451920.db2.gz XCYVSHFNDGOOQL-UHFFFAOYSA-N 0 3 372.425 2.179 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124461395 326454330 /nfs/dbraw/zinc/45/43/30/326454330.db2.gz FIJKOTKVCNRQAK-LBPRGKRZSA-N 0 3 359.473 2.071 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000165502395 327078390 /nfs/dbraw/zinc/07/83/90/327078390.db2.gz AWHGWZIUXFFMFD-LBPRGKRZSA-N 0 3 363.443 2.032 20 5 FEBDHN CCc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171367914 327135061 /nfs/dbraw/zinc/13/50/61/327135061.db2.gz KEGXIRMIFUDKCM-CYBMUJFWSA-N 0 3 361.402 2.430 20 5 FEBDHN CCc1cc(N2CCCN(CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171681852 327154491 /nfs/dbraw/zinc/15/44/91/327154491.db2.gz PIGXJWKQEZNGOL-UHFFFAOYSA-N 0 3 371.441 2.119 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172017827 327176391 /nfs/dbraw/zinc/17/63/91/327176391.db2.gz AWVJIPYLZITQQN-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CC2CCOCC2)CC1 ZINC000172461560 327202616 /nfs/dbraw/zinc/20/26/16/327202616.db2.gz WMJVTYOOKMDPNZ-AATRIKPKSA-N 0 3 359.426 2.179 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544427 327207350 /nfs/dbraw/zinc/20/73/50/327207350.db2.gz ISIZJDKDCNVWIW-CYBMUJFWSA-N 0 3 362.430 2.101 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172648534 327213306 /nfs/dbraw/zinc/21/33/06/327213306.db2.gz UBNJPXLHRRKTNP-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN CN(C)[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000173061962 327232989 /nfs/dbraw/zinc/23/29/89/327232989.db2.gz PHNICDBWRKXXMT-SFHVURJKSA-N 0 3 356.426 2.450 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173670619 327275467 /nfs/dbraw/zinc/27/54/67/327275467.db2.gz WXIOGQMAPNYOHY-CYBMUJFWSA-N 0 3 371.459 2.098 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173669269 327275503 /nfs/dbraw/zinc/27/55/03/327275503.db2.gz DQRFIPBBYSHHSH-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173669854 327275572 /nfs/dbraw/zinc/27/55/72/327275572.db2.gz GPYRLWGROOCCFE-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718320 327345338 /nfs/dbraw/zinc/34/53/38/327345338.db2.gz UFDOBDYYTPUNDW-GWCFXTLKSA-N 0 3 356.329 2.104 20 5 FEBDHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715886 327345539 /nfs/dbraw/zinc/34/55/39/327345539.db2.gz AKAZAJLJBZTWKO-ZDUSSCGKSA-N 0 3 358.320 2.303 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(CO)C1CCCCC1 ZINC000174793467 327351550 /nfs/dbraw/zinc/35/15/50/327351550.db2.gz SADIUTSJIAQEOA-SFHVURJKSA-N 0 3 365.430 2.463 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000175080987 327372774 /nfs/dbraw/zinc/37/27/74/327372774.db2.gz OALHPBJMTUNKAZ-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000175089595 327373554 /nfs/dbraw/zinc/37/35/54/327373554.db2.gz YZROREHJYZATOV-KGLIPLIRSA-N 0 3 355.460 2.363 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc([N+](=O)[O-])c1OC ZINC000261863025 328825108 /nfs/dbraw/zinc/82/51/08/328825108.db2.gz WQDFNDFHIVNVIY-LSDHHAIUSA-N 0 3 371.393 2.179 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2NCCc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000262466111 328867653 /nfs/dbraw/zinc/86/76/53/328867653.db2.gz XTACTMVYLMVPCP-OAHLLOKOSA-N 0 3 371.393 2.229 20 5 FEBDHN Cc1nn(CCC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000263824000 328965905 /nfs/dbraw/zinc/96/59/05/328965905.db2.gz RDCXOMILRQSWNP-KRWDZBQOSA-N 0 3 373.457 2.087 20 5 FEBDHN COc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264616065 329041275 /nfs/dbraw/zinc/04/12/75/329041275.db2.gz QQFQWIFMYAJCGU-OAHLLOKOSA-N 0 3 362.430 2.373 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986807 329179344 /nfs/dbraw/zinc/17/93/44/329179344.db2.gz KVRHHJQCCWMCBM-WCQYABFASA-N 0 3 351.403 2.024 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266207026 329200605 /nfs/dbraw/zinc/20/06/05/329200605.db2.gz PMTFKOATKGDHED-DGCLKSJQSA-N 0 3 359.423 2.085 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267074284 329289141 /nfs/dbraw/zinc/28/91/41/329289141.db2.gz FDPXLMVJNOKKAB-OAHLLOKOSA-N 0 3 355.485 2.484 20 5 FEBDHN CN(C)[C@]1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000267097040 329291674 /nfs/dbraw/zinc/29/16/74/329291674.db2.gz JXGCTZAQMWIINQ-KRWDZBQOSA-N 0 3 362.455 2.103 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369639 329320118 /nfs/dbraw/zinc/32/01/18/329320118.db2.gz FUJMOPOLINRSLX-QAPCUYQASA-N 0 3 371.441 2.208 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267437877 329327433 /nfs/dbraw/zinc/32/74/33/329327433.db2.gz NXUJMMFVZKACDL-WMLDXEAASA-N 0 3 371.441 2.127 20 5 FEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267947096 329370727 /nfs/dbraw/zinc/37/07/27/329370727.db2.gz USZOBLLVBCGFEI-SECBINFHSA-N 0 3 360.183 2.320 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275131090 330013589 /nfs/dbraw/zinc/01/35/89/330013589.db2.gz OOGXDPHZBXPBHV-GJZGRUSLSA-N 0 3 353.419 2.386 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275290440 330031257 /nfs/dbraw/zinc/03/12/57/330031257.db2.gz OOZGNOLBHTXFPT-LSDHHAIUSA-N 0 3 353.419 2.386 20 5 FEBDHN O=[N+]([O-])c1cc(CN(CCO)C2CCOCC2)ccc1Br ZINC000275960514 330106850 /nfs/dbraw/zinc/10/68/50/330106850.db2.gz KMWXNVVNODNLHL-UHFFFAOYSA-N 0 3 359.220 2.331 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247558322 549356161 /nfs/dbraw/zinc/35/61/61/549356161.db2.gz RPDLCFHFOMIBDF-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(c4ccncc4)CC3)o2)cc1 ZINC000161313802 546119279 /nfs/dbraw/zinc/11/92/79/546119279.db2.gz XKVRRQLPVMJGLN-UHFFFAOYSA-N 0 3 366.381 2.362 20 5 FEBDHN CCOc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000171445847 546208945 /nfs/dbraw/zinc/20/89/45/546208945.db2.gz FPYFXXLNPSHWGR-ZDUSSCGKSA-N 0 3 363.414 2.312 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1CN1CCCC1 ZINC000179219698 546916790 /nfs/dbraw/zinc/91/67/90/546916790.db2.gz GPCOQNOESPHETL-OAHLLOKOSA-N 0 3 369.425 2.481 20 5 FEBDHN COCCO[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338942 546934517 /nfs/dbraw/zinc/93/45/17/546934517.db2.gz HYTRFVQVAJKOLQ-MRXNPFEDSA-N 0 3 351.403 2.051 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000180582713 547135896 /nfs/dbraw/zinc/13/58/96/547135896.db2.gz SWMKGGBHGAPCJF-ZFWWWQNUSA-N 0 3 369.425 2.355 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180993586 547225667 /nfs/dbraw/zinc/22/56/67/547225667.db2.gz GBIAUOPEGAMAEB-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN C[C@H]1OCC[C@H]1N(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277042 561272720 /nfs/dbraw/zinc/27/27/20/561272720.db2.gz IMHLIZNBIYTTFS-CZUORRHYSA-N 0 3 361.398 2.264 20 5 FEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000181725734 547368064 /nfs/dbraw/zinc/36/80/64/547368064.db2.gz FUXAYRBZFSTTPX-INIZCTEOSA-N 0 3 355.460 2.138 20 5 FEBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292793 547468719 /nfs/dbraw/zinc/46/87/19/547468719.db2.gz QTCIURUHDLSIER-HOTGVXAUSA-N 0 3 374.441 2.023 20 5 FEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000182382815 547482165 /nfs/dbraw/zinc/48/21/65/547482165.db2.gz AZCRCCRGLNDHJU-DETPVDSQSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000183287898 547633132 /nfs/dbraw/zinc/63/31/32/547633132.db2.gz XDLSCHLLBPZGFZ-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@H](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000183297298 547635265 /nfs/dbraw/zinc/63/52/65/547635265.db2.gz ZMWLFIVVKLTVIX-OAHLLOKOSA-N 0 3 369.487 2.321 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184067842 547764538 /nfs/dbraw/zinc/76/45/38/547764538.db2.gz JUKWKVBZLMSCRC-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN C[C@H](C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158681 547943976 /nfs/dbraw/zinc/94/39/76/547943976.db2.gz KAPMFRAAHZZARG-ZFWWWQNUSA-N 0 3 367.421 2.407 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179032 547946509 /nfs/dbraw/zinc/94/65/09/547946509.db2.gz NWKWMNUCDBMINL-JSGCOSHPSA-N 0 3 353.394 2.064 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)cc1OC ZINC000186706315 548178522 /nfs/dbraw/zinc/17/85/22/548178522.db2.gz HHEJUAVMVKJZCW-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN CN(C)CCOC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486969175 561360504 /nfs/dbraw/zinc/36/05/04/561360504.db2.gz PLGDYNDYOMRGTL-UHFFFAOYSA-N 0 3 361.402 2.192 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245910217 549017029 /nfs/dbraw/zinc/01/70/29/549017029.db2.gz VLHZJRTWYZQBLX-HOCLYGCPSA-N 0 3 369.425 2.337 20 5 FEBDHN CCC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000245930629 549022492 /nfs/dbraw/zinc/02/24/92/549022492.db2.gz PFINSQCGGXGBSM-ZWKOTPCHSA-N 0 3 351.447 2.061 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc([N+](=O)[O-])c1F ZINC000246322605 549105992 /nfs/dbraw/zinc/10/59/92/549105992.db2.gz RUSJSGHWRONSGN-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000248554923 549456437 /nfs/dbraw/zinc/45/64/37/549456437.db2.gz AZCRCCRGLNDHJU-PVXIVEMSSA-N 0 3 351.403 2.478 20 5 FEBDHN COc1ccc(OCCN2CCNC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261602951 549732891 /nfs/dbraw/zinc/73/28/91/549732891.db2.gz ASBAVCWYVWOMNY-KRWDZBQOSA-N 0 3 358.398 2.024 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000272195837 550427854 /nfs/dbraw/zinc/42/78/54/550427854.db2.gz OLJBHFPPCJCQKK-LBPRGKRZSA-N 0 3 353.394 2.301 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272474567 550451208 /nfs/dbraw/zinc/45/12/08/550451208.db2.gz IRHFXUWZTHIAFM-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000272597571 550459756 /nfs/dbraw/zinc/45/97/56/550459756.db2.gz UTNMZWMUQHZGOB-GFCCVEGCSA-N 0 3 361.427 2.300 20 5 FEBDHN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1=CCN(C)CC1 ZINC000272651720 550463289 /nfs/dbraw/zinc/46/32/89/550463289.db2.gz ARNZJHNONOBCGL-CYBMUJFWSA-N 0 3 355.398 2.161 20 5 FEBDHN COC1(C[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277154182 550637788 /nfs/dbraw/zinc/63/77/88/550637788.db2.gz QLESIMFEFHVVEJ-ZDUSSCGKSA-N 0 3 356.444 2.306 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCN1C1CCCC1 ZINC000277853912 550721648 /nfs/dbraw/zinc/72/16/48/550721648.db2.gz CQJKVGBALLSRMH-MRXNPFEDSA-N 0 3 357.414 2.494 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000278570813 550800129 /nfs/dbraw/zinc/80/01/29/550800129.db2.gz PMKVUPRFEYIJGN-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000278718852 550814866 /nfs/dbraw/zinc/81/48/66/550814866.db2.gz PITHUWPWRQCIFT-CQSZACIVSA-N 0 3 372.429 2.241 20 5 FEBDHN CNC(=O)[C@]1(C)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658476 551018510 /nfs/dbraw/zinc/01/85/10/551018510.db2.gz DSUJMWUPJQAXSG-APPDUMDISA-N 0 3 359.386 2.164 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497459488 561501413 /nfs/dbraw/zinc/50/14/13/561501413.db2.gz JWXKGSITWDQYNP-WBVHZDCISA-N 0 3 360.458 2.001 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000282893336 551282862 /nfs/dbraw/zinc/28/28/62/551282862.db2.gz XLSSLITVTUGVCU-QGZVFWFLSA-N 0 3 366.487 2.216 20 5 FEBDHN O=C(COc1ccccc1)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000282925904 551285737 /nfs/dbraw/zinc/28/57/37/551285737.db2.gz HTRUBUUDYYZNSQ-INIZCTEOSA-N 0 3 355.394 2.364 20 5 FEBDHN CN1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000497801935 561509183 /nfs/dbraw/zinc/50/91/83/561509183.db2.gz DZUDCVXMJGIVTM-RDJZCZTQSA-N 0 3 365.393 2.299 20 5 FEBDHN CC[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)N1CCc2ccccc2C1 ZINC000498039406 561514370 /nfs/dbraw/zinc/51/43/70/561514370.db2.gz VIOFOZXUKGRAQN-KRWDZBQOSA-N 0 3 371.441 2.053 20 5 FEBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000498132831 561516733 /nfs/dbraw/zinc/51/67/33/561516733.db2.gz SQVMEFPRBPMWNU-GOSISDBHSA-N 0 3 371.441 2.032 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284152756 551493454 /nfs/dbraw/zinc/49/34/54/551493454.db2.gz VYQLIXNWQSZHOJ-LBPRGKRZSA-N 0 3 369.853 2.396 20 5 FEBDHN CN1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000284641713 551596886 /nfs/dbraw/zinc/59/68/86/551596886.db2.gz OBWIAWDRKYHZEK-ZFWWWQNUSA-N 0 3 357.357 2.101 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000285780560 551809738 /nfs/dbraw/zinc/80/97/38/551809738.db2.gz XHWZUCXSGSJTOE-UHFFFAOYSA-N 0 3 357.414 2.099 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917173 551827040 /nfs/dbraw/zinc/82/70/40/551827040.db2.gz SSKZBQYEZHRBHD-QWHCGFSZSA-N 0 3 351.378 2.198 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2OCCN(C)C)n1 ZINC000286180671 551858215 /nfs/dbraw/zinc/85/82/15/551858215.db2.gz JGPBRZLDZRZMQO-UHFFFAOYSA-N 0 3 374.397 2.329 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000286310814 551872528 /nfs/dbraw/zinc/87/25/28/551872528.db2.gz IOHUJSAORPQYTI-STQMWFEESA-N 0 3 353.444 2.290 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000288823527 552219389 /nfs/dbraw/zinc/21/93/89/552219389.db2.gz IJERFZIRCGTCTO-SJORKVTESA-N 0 3 373.457 2.415 20 5 FEBDHN COCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289900916 552396784 /nfs/dbraw/zinc/39/67/84/552396784.db2.gz NKMXBNJZRVIMDQ-UHFFFAOYSA-N 0 3 350.156 2.326 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCN(C(C)C)CC1 ZINC000292615560 552743213 /nfs/dbraw/zinc/74/32/13/552743213.db2.gz XKVFPTUZBVJCIW-AWEZNQCLSA-N 0 3 364.446 2.347 20 5 FEBDHN CC(C)(CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO)[N+](=O)[O-] ZINC000295668092 553042096 /nfs/dbraw/zinc/04/20/96/553042096.db2.gz JMXQXWCSFPNFRF-KRWDZBQOSA-N 0 3 363.458 2.095 20 5 FEBDHN CCc1cc(NCCN2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295866679 553069517 /nfs/dbraw/zinc/06/95/17/553069517.db2.gz CHYSWYWULJWQLQ-UHFFFAOYSA-N 0 3 371.441 2.483 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000295998127 553087006 /nfs/dbraw/zinc/08/70/06/553087006.db2.gz PMMSAZCLBFOGCA-UHFFFAOYSA-N 0 3 352.410 2.356 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296552823 553178419 /nfs/dbraw/zinc/17/84/19/553178419.db2.gz TWJLXAPXIDXTJH-ZDUSSCGKSA-N 0 3 350.419 2.066 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000299699441 553602174 /nfs/dbraw/zinc/60/21/74/553602174.db2.gz OTJDOBHBLPOWBM-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149519 553626018 /nfs/dbraw/zinc/62/60/18/553626018.db2.gz LZIUNLXQRBEVLE-HNNXBMFYSA-N 0 3 369.425 2.234 20 5 FEBDHN CCOC(=O)c1cc(N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000301638298 553667834 /nfs/dbraw/zinc/66/78/34/553667834.db2.gz XRNGGYXBNYJGLV-UHFFFAOYSA-N 0 3 356.382 2.493 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CC[C@@H](CN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301860966 553686150 /nfs/dbraw/zinc/68/61/50/553686150.db2.gz DPXZDYTWPAQCPK-AWEZNQCLSA-N 0 3 367.471 2.311 20 5 FEBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994081 561713358 /nfs/dbraw/zinc/71/33/58/561713358.db2.gz DWGSFDNSMFPAQV-JSGCOSHPSA-N 0 3 355.398 2.336 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(CC)C1 ZINC000330440855 554122208 /nfs/dbraw/zinc/12/22/08/554122208.db2.gz OVCNLDCCWQYZCH-ZDUSSCGKSA-N 0 3 355.460 2.167 20 5 FEBDHN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000509006074 561781165 /nfs/dbraw/zinc/78/11/65/561781165.db2.gz ILTRPJPSKMWBFY-CYBMUJFWSA-N 0 3 368.428 2.473 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000332251770 554410342 /nfs/dbraw/zinc/41/03/42/554410342.db2.gz BUUJIZBXUYQWFQ-CABCVRRESA-N 0 3 353.444 2.062 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510523273 561837682 /nfs/dbraw/zinc/83/76/82/561837682.db2.gz LLPSPFZUMUCXAA-UGSOOPFHSA-N 0 3 359.430 2.216 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000511020419 561854186 /nfs/dbraw/zinc/85/41/86/561854186.db2.gz VIZKSYCJRLZNTK-KCXAZCMYSA-N 0 3 360.414 2.055 20 5 FEBDHN CNC(=O)c1ccc(N(C)C2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000361812312 554936231 /nfs/dbraw/zinc/93/62/31/554936231.db2.gz FTBMPGINTXIJJW-UHFFFAOYSA-N 0 3 369.425 2.455 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177393 554954148 /nfs/dbraw/zinc/95/41/48/554954148.db2.gz JVLPVTQMBCZFRR-HIFRSBDPSA-N 0 3 361.377 2.195 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177393 554954152 /nfs/dbraw/zinc/95/41/52/554954152.db2.gz JVLPVTQMBCZFRR-HIFRSBDPSA-N 0 3 361.377 2.195 20 5 FEBDHN COc1ccc([C@@H]2C[C@H](C)CN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000362222382 554956682 /nfs/dbraw/zinc/95/66/82/554956682.db2.gz YBAJEMLMWJOELI-XCRHUMRWSA-N 0 3 360.414 2.244 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000365289828 555533782 /nfs/dbraw/zinc/53/37/82/555533782.db2.gz XJRVUUYXNJGUCQ-KSSFIOAISA-N 0 3 370.409 2.421 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000365497942 555591363 /nfs/dbraw/zinc/59/13/63/555591363.db2.gz YRAYTJXQZLFSFU-HNNXBMFYSA-N 0 3 370.409 2.476 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540003 555603037 /nfs/dbraw/zinc/60/30/37/555603037.db2.gz QIYLJPRKCHPRIH-OLMNPRSZSA-N 0 3 361.442 2.143 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000367373390 556031591 /nfs/dbraw/zinc/03/15/91/556031591.db2.gz XPLKOSICHSLWHW-UHFFFAOYSA-N 0 3 353.382 2.462 20 5 FEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446416 556051598 /nfs/dbraw/zinc/05/15/98/556051598.db2.gz DVXWYRRUEWYDSM-CVEARBPZSA-N 0 3 364.402 2.236 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)n1 ZINC000367548541 556079938 /nfs/dbraw/zinc/07/99/38/556079938.db2.gz CQAFNJXFRAAVQL-ABAIWWIYSA-N 0 3 363.443 2.203 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000368095510 556217891 /nfs/dbraw/zinc/21/78/91/556217891.db2.gz QOHZEDMINDWQSP-IBGZPJMESA-N 0 3 355.394 2.226 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000368219827 556251868 /nfs/dbraw/zinc/25/18/68/556251868.db2.gz AWPDQRKPYXRRCN-HNNXBMFYSA-N 0 3 354.410 2.371 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368999 556289971 /nfs/dbraw/zinc/28/99/71/556289971.db2.gz GJPYICXUZZMAAF-XJKSGUPXSA-N 0 3 370.409 2.397 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368999 556289977 /nfs/dbraw/zinc/28/99/77/556289977.db2.gz GJPYICXUZZMAAF-XJKSGUPXSA-N 0 3 370.409 2.397 20 5 FEBDHN CN(C)[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679343 562054161 /nfs/dbraw/zinc/05/41/61/562054161.db2.gz QIJATOFKKHVSTR-DZGCQCFKSA-N 0 3 365.455 2.289 20 5 FEBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516875678 562062097 /nfs/dbraw/zinc/06/20/97/562062097.db2.gz VJZPXSWKXKLMLU-KRWDZBQOSA-N 0 3 374.441 2.160 20 5 FEBDHN Cc1c(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)cccc1[N+](=O)[O-] ZINC000370602939 556919369 /nfs/dbraw/zinc/91/93/69/556919369.db2.gz REYWNIJQSHYGQS-UHFFFAOYSA-N 0 3 358.402 3.010 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219101 557110395 /nfs/dbraw/zinc/11/03/95/557110395.db2.gz JVCCXGCNNBQCOD-QAPCUYQASA-N 0 3 360.458 2.001 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000371254144 557120842 /nfs/dbraw/zinc/12/08/42/557120842.db2.gz SEFQTJFNPHXALH-YRWFTTLQSA-N 0 3 351.406 2.384 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415103 562089728 /nfs/dbraw/zinc/08/97/28/562089728.db2.gz NILMYAQQYAOCFN-KBPBESRZSA-N 0 3 355.460 2.277 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713801 557272448 /nfs/dbraw/zinc/27/24/48/557272448.db2.gz DRBOVXQIMPMDSF-ZWKOTPCHSA-N 0 3 363.414 2.479 20 5 FEBDHN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000372353854 557448344 /nfs/dbraw/zinc/44/83/44/557448344.db2.gz BCXCKQPCZKBTBA-QFBILLFUSA-N 0 3 374.485 2.012 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](n4cncn4)C3)o2)c1 ZINC000372476530 557480729 /nfs/dbraw/zinc/48/07/29/557480729.db2.gz YUSHSZMXMBUGOE-HNNXBMFYSA-N 0 3 354.370 2.331 20 5 FEBDHN CSC1(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CCN(C)CC1 ZINC000519731570 562141735 /nfs/dbraw/zinc/14/17/35/562141735.db2.gz ITSRYNJETTZSPU-UHFFFAOYSA-N 0 3 367.471 2.226 20 5 FEBDHN CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281155 557664614 /nfs/dbraw/zinc/66/46/14/557664614.db2.gz ONQFPZHENBSXOJ-MEDUHNTESA-N 0 3 366.805 2.058 20 5 FEBDHN CN1CCN(c2ccncc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520223440 562151111 /nfs/dbraw/zinc/15/11/11/562151111.db2.gz CUICIDJNVALKCB-UHFFFAOYSA-N 0 3 359.361 2.133 20 5 FEBDHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520223440 562151112 /nfs/dbraw/zinc/15/11/12/562151112.db2.gz CUICIDJNVALKCB-UHFFFAOYSA-N 0 3 359.361 2.133 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000374056097 557814716 /nfs/dbraw/zinc/81/47/16/557814716.db2.gz WVGBKTREZPXABU-ZDUSSCGKSA-N 0 3 358.402 2.230 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015806 557964634 /nfs/dbraw/zinc/96/46/34/557964634.db2.gz DRSFMHBTUPANFD-XHDPSFHLSA-N 0 3 352.822 2.213 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1OC ZINC000375017021 557965000 /nfs/dbraw/zinc/96/50/00/557965000.db2.gz GFHODUGVZIGKEZ-DOMZBBRYSA-N 0 3 363.414 2.168 20 5 FEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1[N+](=O)[O-] ZINC000375503064 558039030 /nfs/dbraw/zinc/03/90/30/558039030.db2.gz QBQRSDXZUWZSOE-RVZJWNSFSA-N 0 3 357.414 2.307 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC(F)F ZINC000375902041 558096287 /nfs/dbraw/zinc/09/62/87/558096287.db2.gz DZHPFZUHFWQCJI-JSGCOSHPSA-N 0 3 357.357 2.232 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@]2(CCCCO2)C1 ZINC000376468316 558176964 /nfs/dbraw/zinc/17/69/64/558176964.db2.gz JZQASFZADKDXBQ-MAUKXSAKSA-N 0 3 350.415 2.370 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOC(C)(C)C1 ZINC000377696868 558399572 /nfs/dbraw/zinc/39/95/72/558399572.db2.gz GUDFQRLDBZPVDI-UHFFFAOYSA-N 0 3 351.403 2.433 20 5 FEBDHN O=C1CC[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]([C@H]2CCCO2)N1 ZINC000377727191 558406305 /nfs/dbraw/zinc/40/63/05/558406305.db2.gz RGPBLFNLFCHCIM-JGGQBBKZSA-N 0 3 353.806 2.164 20 5 FEBDHN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378365114 558539888 /nfs/dbraw/zinc/53/98/88/558539888.db2.gz IBCOJIGFAWJPDG-INIZCTEOSA-N 0 3 374.485 2.154 20 5 FEBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397525109 558624229 /nfs/dbraw/zinc/62/42/29/558624229.db2.gz XJVHLCPWGDPVLP-UHFFFAOYSA-N 0 3 369.421 2.352 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000408371946 558671602 /nfs/dbraw/zinc/67/16/02/558671602.db2.gz GODUSSWQSKTECD-HOCLYGCPSA-N 0 3 367.471 2.262 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000408375866 558672190 /nfs/dbraw/zinc/67/21/90/558672190.db2.gz UNEKYKMVGXLKKE-ZIAGYGMSSA-N 0 3 353.444 2.008 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524337672 562227102 /nfs/dbraw/zinc/22/71/02/562227102.db2.gz QSBCKVOELFXLHU-UHFFFAOYSA-N 0 3 364.446 2.283 20 5 FEBDHN Cc1ccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524394805 562228030 /nfs/dbraw/zinc/22/80/30/562228030.db2.gz MWTSBSOUFJOPMI-LJQANCHMSA-N 0 3 355.394 2.479 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000411169909 558848080 /nfs/dbraw/zinc/84/80/80/558848080.db2.gz FLWAYTLGROAKNR-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000412297718 559025822 /nfs/dbraw/zinc/02/58/22/559025822.db2.gz FDEMHRXJMGKFKE-JCGIZDLHSA-N 0 3 361.442 2.315 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1F ZINC000412343910 559029319 /nfs/dbraw/zinc/02/93/19/559029319.db2.gz WPFUQEVICJDNBF-OLZOCXBDSA-N 0 3 365.405 2.370 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(C3CC3)C[C@H](C)C2)c1F ZINC000412371644 559031582 /nfs/dbraw/zinc/03/15/82/559031582.db2.gz SBHNHKGBJASFJW-LBPRGKRZSA-N 0 3 365.405 2.228 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000415584652 559252590 /nfs/dbraw/zinc/25/25/90/559252590.db2.gz ABRKCOIFJBVVJN-UHFFFAOYSA-N 0 3 370.409 2.138 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416474841 559316000 /nfs/dbraw/zinc/31/60/00/559316000.db2.gz ICNHDEAZQUMRAD-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416508468 559318613 /nfs/dbraw/zinc/31/86/13/559318613.db2.gz OJBVFRIHEDXZJR-UHFFFAOYSA-N 0 3 369.365 2.232 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416667097 559328708 /nfs/dbraw/zinc/32/87/08/559328708.db2.gz XVCPPTONWZMRTD-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN COc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000417201595 559352734 /nfs/dbraw/zinc/35/27/34/559352734.db2.gz WRYSVPFDBMMCSW-INIZCTEOSA-N 0 3 370.409 2.290 20 5 FEBDHN N[C@@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000418452720 559402182 /nfs/dbraw/zinc/40/21/82/559402182.db2.gz OGIABPGZCPXOLG-INIZCTEOSA-N 0 3 369.425 2.126 20 5 FEBDHN NC[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422858643 559608737 /nfs/dbraw/zinc/60/87/37/559608737.db2.gz IMTWYKMLTFXFDG-HNNXBMFYSA-N 0 3 357.360 2.427 20 5 FEBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429631 559702033 /nfs/dbraw/zinc/70/20/33/559702033.db2.gz AFABFWSCUYGBQZ-VXGBXAGGSA-N 0 3 356.220 2.491 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000427373664 559754309 /nfs/dbraw/zinc/75/43/09/559754309.db2.gz BRBYUBIFYUBSTP-GDBMZVCRSA-N 0 3 371.441 2.452 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428253010 559772451 /nfs/dbraw/zinc/77/24/51/559772451.db2.gz NTIFBFXSSMNQTN-CQSZACIVSA-N 0 3 364.446 2.347 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428321446 559773378 /nfs/dbraw/zinc/77/33/78/559773378.db2.gz ARFHUIUOARHQOP-SFHVURJKSA-N 0 3 357.414 2.411 20 5 FEBDHN CCOCCOC[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064738 559870903 /nfs/dbraw/zinc/87/09/03/559870903.db2.gz CGWFGDQWERKLLT-WMLDXEAASA-N 0 3 352.431 2.321 20 5 FEBDHN Cc1c(CNC(=O)NCCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000433456677 559881879 /nfs/dbraw/zinc/88/18/79/559881879.db2.gz NDADHJVULBHPOA-CQSZACIVSA-N 0 3 364.446 2.203 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000433888730 559889847 /nfs/dbraw/zinc/88/98/47/559889847.db2.gz STXFIDGSXUTWKU-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN COc1ccc(OCCN(C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000434709853 559907026 /nfs/dbraw/zinc/90/70/26/559907026.db2.gz WCEGBXXXHNIFCW-UHFFFAOYSA-N 0 3 367.446 2.025 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000440516644 560013392 /nfs/dbraw/zinc/01/33/92/560013392.db2.gz UHXRVZZALXDYIV-IBGZPJMESA-N 0 3 373.384 2.101 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000440915976 560019671 /nfs/dbraw/zinc/01/96/71/560019671.db2.gz WTRMDZLHIUWCQZ-JSGCOSHPSA-N 0 3 369.425 2.350 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000444636640 560117319 /nfs/dbraw/zinc/11/73/19/560117319.db2.gz OCHREFHZRQCUOS-UHFFFAOYSA-N 0 3 365.430 2.464 20 5 FEBDHN COCCO[C@@H]1C[C@H](CO)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000447078670 560156083 /nfs/dbraw/zinc/15/60/83/560156083.db2.gz UYIBHQIRYAZMST-RKDMXIHUSA-N 0 3 364.442 2.344 20 5 FEBDHN CN1CC[C@](O)(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447680505 560166777 /nfs/dbraw/zinc/16/67/77/560166777.db2.gz HLLVFKIRNCPQOH-NSHDSACASA-N 0 3 370.278 2.122 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000448933041 560207635 /nfs/dbraw/zinc/20/76/35/560207635.db2.gz NMOBSPDADPSFLX-MRXNPFEDSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1ccc(CN2CCC(CNc3ncc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000450283439 560256891 /nfs/dbraw/zinc/25/68/91/560256891.db2.gz JSQSCTQYLXWHBZ-UHFFFAOYSA-N 0 3 371.441 3.026 20 5 FEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1=CCN(C)CC1 ZINC000450755959 560272443 /nfs/dbraw/zinc/27/24/43/560272443.db2.gz JTIVRXATOSJXMZ-ZDUSSCGKSA-N 0 3 355.398 2.161 20 5 FEBDHN CC1(C)OCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451237669 560295038 /nfs/dbraw/zinc/29/50/38/560295038.db2.gz CFQQFUHOMUDNRL-LBPRGKRZSA-N 0 3 372.219 2.453 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409266 560305242 /nfs/dbraw/zinc/30/52/42/560305242.db2.gz AESAEOUJQDVBCI-JFIYKMOQSA-N 0 3 359.426 2.109 20 5 FEBDHN CCOc1ccc(NC(=O)CN(C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452126230 560352791 /nfs/dbraw/zinc/35/27/91/560352791.db2.gz YQAZWLFPRIQTHT-AWEZNQCLSA-N 0 3 364.446 2.347 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)C1 ZINC000452153201 560353909 /nfs/dbraw/zinc/35/39/09/560353909.db2.gz QUPZVMMORJAGIA-IBGZPJMESA-N 0 3 369.425 2.338 20 5 FEBDHN CC[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453078589 560382880 /nfs/dbraw/zinc/38/28/80/560382880.db2.gz GPOVQBMPKCYLDO-INIZCTEOSA-N 0 3 364.427 2.009 20 5 FEBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296487 560385451 /nfs/dbraw/zinc/38/54/51/560385451.db2.gz YYONZFJFVJVLOJ-NHYWBVRUSA-N 0 3 355.460 2.235 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000453417743 560386335 /nfs/dbraw/zinc/38/63/35/560386335.db2.gz CIJISGIQASYKGW-DAXOMENPSA-N 0 3 360.414 2.055 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000454929730 560463908 /nfs/dbraw/zinc/46/39/08/560463908.db2.gz QRQIJAYCRBUXET-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456034677 560505175 /nfs/dbraw/zinc/50/51/75/560505175.db2.gz WAJOLBVGVHCOMS-OAHLLOKOSA-N 0 3 369.425 2.283 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092913 560548298 /nfs/dbraw/zinc/54/82/98/560548298.db2.gz XNUPLNDJKRCZFU-HNNXBMFYSA-N 0 3 363.414 2.326 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457128035 560551563 /nfs/dbraw/zinc/55/15/63/560551563.db2.gz RSTSEQXEZBSZSD-INIZCTEOSA-N 0 3 357.414 2.335 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000460926600 560755859 /nfs/dbraw/zinc/75/58/59/560755859.db2.gz QKLJAOLCHAPAPB-UHFFFAOYSA-N 0 3 373.475 2.346 20 5 FEBDHN C[NH+](C)CCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000466739099 560894074 /nfs/dbraw/zinc/89/40/74/560894074.db2.gz GFEQBLVYCLZVNG-UHFFFAOYSA-N 0 3 369.468 2.239 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@](C)(OC)C1 ZINC000470912743 560993782 /nfs/dbraw/zinc/99/37/82/560993782.db2.gz IWJPRNDKIJHVQJ-KRWDZBQOSA-N 0 3 351.403 2.433 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472618542 561031165 /nfs/dbraw/zinc/03/11/65/561031165.db2.gz NWEMLFGFXHTCEO-RYUDHWBXSA-N 0 3 366.393 2.052 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000474352866 561071793 /nfs/dbraw/zinc/07/17/93/561071793.db2.gz IPZRJEDHJZQMTF-HIFRSBDPSA-N 0 3 352.387 2.194 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475584441 561100389 /nfs/dbraw/zinc/10/03/89/561100389.db2.gz YUZJHJWDHAKVKN-AWEZNQCLSA-N 0 3 350.419 2.444 20 5 FEBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025081 561134597 /nfs/dbraw/zinc/13/45/97/561134597.db2.gz MCIOGUXSFJKMCN-MRXNPFEDSA-N 0 3 371.441 2.313 20 5 FEBDHN COCCN(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531883192 562459859 /nfs/dbraw/zinc/45/98/59/562459859.db2.gz CKIDXPRXUHRXMN-KRWDZBQOSA-N 0 3 372.425 2.429 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1=O ZINC000536009366 562571623 /nfs/dbraw/zinc/57/16/23/562571623.db2.gz OSIIDRGEGRUZRK-UHFFFAOYSA-N 0 3 369.381 2.052 20 5 FEBDHN COCCCN1CCC(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542045905 562626026 /nfs/dbraw/zinc/62/60/26/562626026.db2.gz HDSUSKQXVIFYQK-UHFFFAOYSA-N 0 3 351.403 2.294 20 5 FEBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000569318462 568374951 /nfs/dbraw/zinc/37/49/51/568374951.db2.gz UBQQOBLYFBIRKW-UHFFFAOYSA-N 0 3 362.386 2.135 20 5 FEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@H]2C1 ZINC000569514445 568404546 /nfs/dbraw/zinc/40/45/46/568404546.db2.gz DCDXLQKWSCOWQS-BBRMVZONSA-N 0 3 364.421 2.101 20 5 FEBDHN CCN(CC)CCS(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000810079988 674530139 /nfs/dbraw/zinc/53/01/39/674530139.db2.gz TZDLBKUOQKSPCL-UHFFFAOYSA-N 0 3 354.787 2.438 20 5 FEBDHN COc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810182565 674535777 /nfs/dbraw/zinc/53/57/77/674535777.db2.gz WHVDWCKSIBAWFE-KRWDZBQOSA-N 0 3 353.394 2.432 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000561552442 674678781 /nfs/dbraw/zinc/67/87/81/674678781.db2.gz QPYLMNSDTMWGDE-CJNGLKHVSA-N 0 3 367.471 2.405 20 5 FEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(I)c1 ZINC000813112757 674721105 /nfs/dbraw/zinc/72/11/05/674721105.db2.gz KMMQHJQLZRHPAQ-ZETCQYMHSA-N 0 3 365.123 2.122 20 5 FEBDHN Cc1cc(=O)c(C(=O)OCC(C)[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000813112898 674721109 /nfs/dbraw/zinc/72/11/09/674721109.db2.gz VZVCWLIMLQZNII-JTQLQIEISA-N 0 3 351.746 2.016 20 5 FEBDHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104436 674720063 /nfs/dbraw/zinc/72/00/63/674720063.db2.gz CSDGFTDGTFISBS-GWCFXTLKSA-N 0 3 370.789 2.162 20 5 FEBDHN Cc1nnc(SCC(=O)OCC(C)[N+](=O)[O-])n1-c1cc(C)ccc1C ZINC000813111419 674721084 /nfs/dbraw/zinc/72/10/84/674721084.db2.gz GYRSEHDLTYCZGK-LBPRGKRZSA-N 0 3 364.427 2.493 20 5 FEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815012988 674895820 /nfs/dbraw/zinc/89/58/20/674895820.db2.gz PHNQDRABMPWGMN-VIFPVBQESA-N 0 3 365.814 2.102 20 5 FEBDHN C[C@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034888 674904447 /nfs/dbraw/zinc/90/44/47/674904447.db2.gz FUHIZHCXIJDDFH-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@H]1CCC[N@@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034888 674904450 /nfs/dbraw/zinc/90/44/50/674904450.db2.gz FUHIZHCXIJDDFH-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@H]1CCC[N@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034888 674904454 /nfs/dbraw/zinc/90/44/54/674904454.db2.gz FUHIZHCXIJDDFH-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590043744 672555463 /nfs/dbraw/zinc/55/54/63/672555463.db2.gz FLFNMYFYBYJWPG-SWLSCSKDSA-N 0 3 358.423 2.494 20 5 FEBDHN COCCOCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131282 672762400 /nfs/dbraw/zinc/76/24/00/672762400.db2.gz WGOGYCDSVSBWLD-QAQDUYKDSA-N 0 3 352.431 2.363 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000594198720 673043189 /nfs/dbraw/zinc/04/31/89/673043189.db2.gz VIZVKSPSZAUUCI-ZIAGYGMSSA-N 0 3 351.378 2.489 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@](C)(CO)OC)o2)c([N+](=O)[O-])c1 ZINC000594508566 673094495 /nfs/dbraw/zinc/09/44/95/673094495.db2.gz DCLKXWPABBBORB-QGZVFWFLSA-N 0 3 350.371 2.350 20 5 FEBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959477 673180991 /nfs/dbraw/zinc/18/09/91/673180991.db2.gz DKPJEQGGWKLWEZ-TXNHMLTKSA-N 0 3 354.428 2.145 20 5 FEBDHN CN1CCN(CCCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596063846 673354974 /nfs/dbraw/zinc/35/49/74/673354974.db2.gz YPHJZDNYUGSRRD-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN Nc1c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597104603 673448736 /nfs/dbraw/zinc/44/87/36/673448736.db2.gz RYRYIWYRZQXDCF-NSHDSACASA-N 0 3 351.794 2.308 20 5 FEBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000598535883 673579932 /nfs/dbraw/zinc/57/99/32/673579932.db2.gz KQCLOLBUKXKLHD-LBPRGKRZSA-N 0 3 353.444 2.372 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000543624006 673657361 /nfs/dbraw/zinc/65/73/61/673657361.db2.gz ILMGQUNDFIAUBB-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000599965981 673730769 /nfs/dbraw/zinc/73/07/69/673730769.db2.gz JDUAJIIETCQYDS-BXKDBHETSA-N 0 3 354.204 2.133 20 5 FEBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000545473772 673771593 /nfs/dbraw/zinc/77/15/93/673771593.db2.gz WMYHJMJWBCRFFX-MRXNPFEDSA-N 0 3 363.801 2.313 20 5 FEBDHN COc1cc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891738 673913163 /nfs/dbraw/zinc/91/31/63/673913163.db2.gz OKWJRODJJBOHEF-WBVHZDCISA-N 0 3 350.415 2.403 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825709528 675664899 /nfs/dbraw/zinc/66/48/99/675664899.db2.gz WYVPJGDMDNNRJF-UHFFFAOYSA-N 0 3 371.235 2.309 20 5 FEBDHN O=C1CC[C@H](N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352325 675876858 /nfs/dbraw/zinc/87/68/58/675876858.db2.gz FREGXVUQDOVZLP-ZDUSSCGKSA-N 0 3 352.822 2.039 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619496766 676381605 /nfs/dbraw/zinc/38/16/05/676381605.db2.gz LTDQALGOAYPKSM-UHFFFAOYSA-N 0 3 373.475 2.346 20 5 FEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1N1CCCC1 ZINC000832132254 680099580 /nfs/dbraw/zinc/09/95/80/680099580.db2.gz TXWXFWVEKFQUMX-GJZGRUSLSA-N 0 3 353.419 2.386 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCCN(CCCO)C1 ZINC000836368728 680458764 /nfs/dbraw/zinc/45/87/64/680458764.db2.gz TVUJJCFQUJPHJK-GFCCVEGCSA-N 0 3 356.810 2.217 20 5 FEBDHN CC([C@@H](OC(=O)[C@H](C)Sc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879559 681158694 /nfs/dbraw/zinc/15/86/94/681158694.db2.gz XWWMSMRQNIMIHL-GBIKHYSHSA-N 0 3 368.390 2.385 20 5 FEBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000934497339 681580054 /nfs/dbraw/zinc/58/00/54/681580054.db2.gz UNIPNBILUNOCSJ-AWEZNQCLSA-N 0 3 369.219 2.051 20 5 FEBDHN CN(C)[S@](C)(=O)=NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000934758857 681625025 /nfs/dbraw/zinc/62/50/25/681625025.db2.gz HBZSKZACFSMVQA-RUZDIDTESA-N 0 3 368.503 2.424 20 5 FEBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000780601494 681848780 /nfs/dbraw/zinc/84/87/80/681848780.db2.gz WVZUGEXHIVFDHZ-NSHDSACASA-N 0 3 350.444 2.486 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1 ZINC000857341970 682881192 /nfs/dbraw/zinc/88/11/92/682881192.db2.gz LMLWKBXHKLIGTG-NSHDSACASA-N 0 3 356.220 2.427 20 5 FEBDHN O=C(CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859886398 683168564 /nfs/dbraw/zinc/16/85/64/683168564.db2.gz COAORGKIZZUTJD-OCDDVZBJSA-N 0 3 369.418 2.048 20 5 FEBDHN COc1ccc(CSCC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451747 683454153 /nfs/dbraw/zinc/45/41/53/683454153.db2.gz GNQUZPOTAVYHEN-YPMHNXCESA-N 0 3 353.444 2.045 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000929472570 683601093 /nfs/dbraw/zinc/60/10/93/683601093.db2.gz FJFONFHEKVHEJQ-ZDUSSCGKSA-N 0 3 363.443 2.115 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863033905 683668611 /nfs/dbraw/zinc/66/86/11/683668611.db2.gz YPXFPABFKKGSJW-GFCCVEGCSA-N 0 3 361.427 2.346 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCN1C1CCCC1 ZINC000863035065 683668855 /nfs/dbraw/zinc/66/88/55/683668855.db2.gz RMQZTHWCJVAIDU-ZDUSSCGKSA-N 0 3 351.378 2.246 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCN1C1CCCC1 ZINC000863035005 683669088 /nfs/dbraw/zinc/66/90/88/683669088.db2.gz RMQZTHWCJVAIDU-CYBMUJFWSA-N 0 3 351.378 2.246 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000866547101 684117963 /nfs/dbraw/zinc/11/79/63/684117963.db2.gz SJXGCBFIMBZYHE-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN C[NH+]1CCC(O[N-]C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000868090904 684450028 /nfs/dbraw/zinc/45/00/28/684450028.db2.gz RJMXFVFLGXBHEH-UHFFFAOYSA-N 0 3 372.219 2.042 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869785650 684656206 /nfs/dbraw/zinc/65/62/06/684656206.db2.gz YSULDHAXBAGDOP-STQMWFEESA-N 0 3 367.471 2.037 20 5 FEBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134436 687004079 /nfs/dbraw/zinc/00/40/79/687004079.db2.gz MVJXRFHZWZTOOH-CABCVRRESA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882769103 687480865 /nfs/dbraw/zinc/48/08/65/687480865.db2.gz IEWUKFKOOOJSLX-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCNCCC23CCC3)c1[N+](=O)[O-] ZINC000883478931 687643328 /nfs/dbraw/zinc/64/33/28/687643328.db2.gz GBFQTWCMJASCHI-UHFFFAOYSA-N 0 3 353.444 2.118 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000885886060 688178338 /nfs/dbraw/zinc/17/83/38/688178338.db2.gz RACQFDYTCZNXNW-LBPRGKRZSA-N 0 3 353.806 2.231 20 5 FEBDHN CC(C)N(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000889659341 688803783 /nfs/dbraw/zinc/80/37/83/688803783.db2.gz VOOSVOIXHDSHHM-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN COc1c(O)ccc(CNCC[C@H](N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000896878555 689943028 /nfs/dbraw/zinc/94/30/28/689943028.db2.gz IRTSJISFVXRGAH-NSHDSACASA-N 0 3 351.325 2.281 20 5 FEBDHN COc1c([O-])ccc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000896878555 689943033 /nfs/dbraw/zinc/94/30/33/689943033.db2.gz IRTSJISFVXRGAH-NSHDSACASA-N 0 3 351.325 2.281 20 5 FEBDHN CN1CCN(C)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000897096217 689974583 /nfs/dbraw/zinc/97/45/83/689974583.db2.gz ACOKYVNCHCLSFJ-UHFFFAOYSA-N 0 3 357.252 2.041 20 5 FEBDHN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220390 689990034 /nfs/dbraw/zinc/99/00/34/689990034.db2.gz AHYOLOKMHZEZCQ-OLZOCXBDSA-N 0 3 370.247 2.393 20 5 FEBDHN COc1cc([C@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc([N+](=O)[O-])c1 ZINC000903225607 690869646 /nfs/dbraw/zinc/86/96/46/690869646.db2.gz HDJGMRCDTXXMHV-LSLWTWFVSA-N 0 3 354.428 2.362 20 5 FEBDHN COCCN1CCC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906596201 691289432 /nfs/dbraw/zinc/28/94/32/691289432.db2.gz CRSREVFXDVEEES-CQSZACIVSA-N 0 3 369.849 2.408 20 5 FEBDHN Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868325 721047759 /nfs/dbraw/zinc/04/77/59/721047759.db2.gz NTSWVYCIQFWWAO-IAGOWNOFSA-N 0 3 369.425 2.173 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979172 722100598 /nfs/dbraw/zinc/10/05/98/722100598.db2.gz HGASRGJUXSEYSE-SJLPKXTDSA-N 0 3 369.425 2.112 20 5 FEBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)c(C)c2)CC1 ZINC000076267165 542251772 /nfs/dbraw/zinc/25/17/72/542251772.db2.gz RPAUNYBTSQOXKA-UHFFFAOYSA-N 0 3 357.418 2.161 20 5 FEBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535766 539884099 /nfs/dbraw/zinc/88/40/99/539884099.db2.gz ZYSDEBDPBQMWEO-WFASDCNBSA-N 0 3 360.366 2.414 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032664515 539947103 /nfs/dbraw/zinc/94/71/03/539947103.db2.gz HAYDCSGPOCJDTL-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN CCN1CCN(CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043149277 540092286 /nfs/dbraw/zinc/09/22/86/540092286.db2.gz AZWSVSQOIVGNMK-UHFFFAOYSA-N 0 3 363.462 2.442 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1C ZINC000046036522 540238572 /nfs/dbraw/zinc/23/85/72/540238572.db2.gz LJAQDDOLCCSSBW-HUUCEWRRSA-N 0 3 353.444 2.117 20 5 FEBDHN C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000053807335 540555429 /nfs/dbraw/zinc/55/54/29/540555429.db2.gz GRIONNURDLEZEA-CYBMUJFWSA-N 0 3 357.414 2.209 20 5 FEBDHN CC1CCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000054780032 540609226 /nfs/dbraw/zinc/60/92/26/540609226.db2.gz DTQWVJCFFMWOGN-UHFFFAOYSA-N 0 3 357.414 2.242 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000059748111 540865763 /nfs/dbraw/zinc/86/57/63/540865763.db2.gz KERYJQMAPXMLER-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1C ZINC000060505553 541114860 /nfs/dbraw/zinc/11/48/60/541114860.db2.gz AUVWCOHTPOICQH-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN CC(C)(C)N1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000063724910 541181410 /nfs/dbraw/zinc/18/14/10/541181410.db2.gz UOFGKQUZLMSAKZ-UHFFFAOYSA-N 0 3 363.414 2.312 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC[C@H]1C ZINC000067137133 541422528 /nfs/dbraw/zinc/42/25/28/541422528.db2.gz WBMNLXQEQCKGID-KGLIPLIRSA-N 0 3 372.429 2.168 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000067487060 541470655 /nfs/dbraw/zinc/47/06/55/541470655.db2.gz VOVFURJYQIBUCX-OAHLLOKOSA-N 0 3 350.419 2.118 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000068130283 541552589 /nfs/dbraw/zinc/55/25/89/541552589.db2.gz HXZAZWXRLMLDPB-UHFFFAOYSA-N 0 3 372.425 2.264 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000068257018 541568727 /nfs/dbraw/zinc/56/87/27/541568727.db2.gz VTHIAMPAOMPXFE-KRWDZBQOSA-N 0 3 371.441 2.128 20 5 FEBDHN C[C@H](NC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000068386522 541585647 /nfs/dbraw/zinc/58/56/47/541585647.db2.gz YCBLAQQANXASBC-AWEZNQCLSA-N 0 3 372.425 2.002 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000068574842 541611674 /nfs/dbraw/zinc/61/16/74/541611674.db2.gz SAYMOPLXNBOUBW-KRWDZBQOSA-N 0 3 371.441 2.443 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000071898730 541774602 /nfs/dbraw/zinc/77/46/02/541774602.db2.gz UHJZIMYMRCOIJT-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000801572558 674137069 /nfs/dbraw/zinc/13/70/69/674137069.db2.gz JOVMFPDBJNRYNP-MRXNPFEDSA-N 0 3 353.423 2.028 20 5 FEBDHN CN(CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000079350662 542513533 /nfs/dbraw/zinc/51/35/33/542513533.db2.gz YWZFTFYCFUFMDE-KRWDZBQOSA-N 0 3 368.437 2.422 20 5 FEBDHN CN(C)[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000079357058 542513971 /nfs/dbraw/zinc/51/39/71/542513971.db2.gz BRRGXYCAHCKBSO-KRWDZBQOSA-N 0 3 370.453 2.320 20 5 FEBDHN COC1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079998798 542557122 /nfs/dbraw/zinc/55/71/22/542557122.db2.gz RDNYYHKTYOIUDN-UHFFFAOYSA-N 0 3 355.822 2.018 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc([N+](=O)[O-])c1F ZINC000092995936 542900990 /nfs/dbraw/zinc/90/09/90/542900990.db2.gz AKFSXPLHCZFIJQ-CYBMUJFWSA-N 0 3 371.434 2.149 20 5 FEBDHN COC(=O)[C@]1(C)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093813449 542941487 /nfs/dbraw/zinc/94/14/87/542941487.db2.gz LYJKPZRGZNHKPJ-GOSISDBHSA-N 0 3 358.398 2.380 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](n2cccn2)C1 ZINC000102410351 543069215 /nfs/dbraw/zinc/06/92/15/543069215.db2.gz GIHMVEGLPBUAEN-HNNXBMFYSA-N 0 3 373.413 2.466 20 5 FEBDHN CCCCN1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102345964 543065204 /nfs/dbraw/zinc/06/52/04/543065204.db2.gz BRRJBYHKZOFOQI-CQSZACIVSA-N 0 3 351.451 2.297 20 5 FEBDHN CN(C)C(=O)[C@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104664091 543136639 /nfs/dbraw/zinc/13/66/39/543136639.db2.gz MUZWZIXDMAKNMO-OAHLLOKOSA-N 0 3 358.398 2.345 20 5 FEBDHN CC(=O)N[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674659 543136967 /nfs/dbraw/zinc/13/69/67/543136967.db2.gz GBFBGKXBSYTZQM-HNNXBMFYSA-N 0 3 358.398 2.393 20 5 FEBDHN CCN1CCN([C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369281 543267675 /nfs/dbraw/zinc/26/76/75/543267675.db2.gz GSXIQYPUSKMCBF-GOSISDBHSA-N 0 3 362.474 2.076 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000114378848 543511871 /nfs/dbraw/zinc/51/18/71/543511871.db2.gz CGBMNDPPDHWXKD-UHFFFAOYSA-N 0 3 354.476 2.112 20 5 FEBDHN CCCN1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000114463522 543517769 /nfs/dbraw/zinc/51/77/69/543517769.db2.gz MSNFCPGSUMHHCN-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114644930 543528013 /nfs/dbraw/zinc/52/80/13/543528013.db2.gz WGWHONQOYQLOEC-KRWDZBQOSA-N 0 3 371.441 2.271 20 5 FEBDHN C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000116372434 543607849 /nfs/dbraw/zinc/60/78/49/543607849.db2.gz YJEZFHHSSRSPNN-CQSZACIVSA-N 0 3 361.439 2.379 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000122419215 543707259 /nfs/dbraw/zinc/70/72/59/543707259.db2.gz ONSLHWDRQPCNMS-ZIAGYGMSSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000127570883 544000608 /nfs/dbraw/zinc/00/06/08/544000608.db2.gz XAECFSKCIYYATM-CABCVRRESA-N 0 3 373.457 2.052 20 5 FEBDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313475 544185064 /nfs/dbraw/zinc/18/50/64/544185064.db2.gz QYCMHZNKDAJQPT-SUZMYJTESA-N 0 3 368.821 2.209 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132273275 544225081 /nfs/dbraw/zinc/22/50/81/544225081.db2.gz URUODEQLOLFBLO-WBVHZDCISA-N 0 3 371.441 2.303 20 5 FEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151388497 544536358 /nfs/dbraw/zinc/53/63/58/544536358.db2.gz QLHGGQVKCCXZES-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000151172165 544513914 /nfs/dbraw/zinc/51/39/14/544513914.db2.gz BYHQTKOIGBXWHL-OAHLLOKOSA-N 0 3 357.414 2.162 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151628009 544563549 /nfs/dbraw/zinc/56/35/49/544563549.db2.gz HXGZYDXSPYCEGU-AWEZNQCLSA-N 0 3 353.444 2.010 20 5 FEBDHN CCCN1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000152399213 544648189 /nfs/dbraw/zinc/64/81/89/544648189.db2.gz ADQJXQIRZWBYNS-UHFFFAOYSA-N 0 3 350.419 2.231 20 5 FEBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCN(C)C1 ZINC000153444121 544776752 /nfs/dbraw/zinc/77/67/52/544776752.db2.gz QQFRPTLHLLRWMR-MRXNPFEDSA-N 0 3 360.458 2.364 20 5 FEBDHN COC[C@H](O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000153770147 544820492 /nfs/dbraw/zinc/82/04/92/544820492.db2.gz AMERXZDSDFFGPN-GFCCVEGCSA-N 0 3 350.371 2.350 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1-n1cccn1 ZINC000183137194 327803562 /nfs/dbraw/zinc/80/35/62/327803562.db2.gz KABJRGBBOQMJTM-CQSZACIVSA-N 0 3 353.382 2.293 20 5 FEBDHN C[C@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183291719 327810705 /nfs/dbraw/zinc/81/07/05/327810705.db2.gz NDJXJVVUTHLPTJ-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000189145599 328131137 /nfs/dbraw/zinc/13/11/37/328131137.db2.gz YWMRNZBJVUMNFA-LSDHHAIUSA-N 0 3 369.487 2.177 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189276756 328138721 /nfs/dbraw/zinc/13/87/21/328138721.db2.gz JCWAGBWQBWIZIU-WBMJQRKESA-N 0 3 351.403 2.289 20 5 FEBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189880844 328173175 /nfs/dbraw/zinc/17/31/75/328173175.db2.gz FLYXANVQEVOHCD-HNNXBMFYSA-N 0 3 351.447 2.141 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NCCN(C)C2CCCC2)c1[N+](=O)[O-] ZINC000189949371 328177960 /nfs/dbraw/zinc/17/79/60/328177960.db2.gz SOHYEBIWYTYGTP-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CC(C)C[C@@]1(CO)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191639428 328275153 /nfs/dbraw/zinc/27/51/53/328275153.db2.gz JTZPXSCDFIPYLA-LJQANCHMSA-N 0 3 361.442 2.357 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000191985992 328291934 /nfs/dbraw/zinc/29/19/34/328291934.db2.gz IJROCWAGYVOMSD-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193461425 328376726 /nfs/dbraw/zinc/37/67/26/328376726.db2.gz NGOGCGHCBKVYEU-KWQFWETISA-N 0 3 367.349 2.032 20 5 FEBDHN CN(C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000065858301 324880812 /nfs/dbraw/zinc/88/08/12/324880812.db2.gz WDLVVVVGZNOPQZ-MRXNPFEDSA-N 0 3 356.426 2.296 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080504566 325134012 /nfs/dbraw/zinc/13/40/12/325134012.db2.gz BTNICGHZFWZNFF-KRWDZBQOSA-N 0 3 371.441 2.223 20 5 FEBDHN CN1CCN(CC2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000087338130 325280202 /nfs/dbraw/zinc/28/02/02/325280202.db2.gz DKQSCNPKUUMEBO-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410443 325358277 /nfs/dbraw/zinc/35/82/77/325358277.db2.gz YHEJJCBUFWBSKI-GXTWGEPZSA-N 0 3 350.419 2.448 20 5 FEBDHN Cc1cccc(C)c1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000091060697 325371796 /nfs/dbraw/zinc/37/17/96/325371796.db2.gz KTFKVNUNCOLYKY-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN COc1cc(OCC(=O)N(CCN(C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000112916002 325812894 /nfs/dbraw/zinc/81/28/94/325812894.db2.gz VZNJEHJNUMHYKL-UHFFFAOYSA-N 0 3 365.430 2.315 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116277394 326002906 /nfs/dbraw/zinc/00/29/06/326002906.db2.gz LUBYFSFYMIVBPP-UHFFFAOYSA-N 0 3 368.865 2.234 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000120922908 326299229 /nfs/dbraw/zinc/29/92/29/326299229.db2.gz MPTNNNHZGMPQHD-CQSZACIVSA-N 0 3 364.446 2.243 20 5 FEBDHN CCNC(=O)C(C)(C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120926913 326299681 /nfs/dbraw/zinc/29/96/81/326299681.db2.gz NJMURUOTQFRYON-UHFFFAOYSA-N 0 3 359.430 2.247 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000122905860 326413506 /nfs/dbraw/zinc/41/35/06/326413506.db2.gz NHBZHSISCMNZAI-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000125549164 326473663 /nfs/dbraw/zinc/47/36/63/326473663.db2.gz JMWDXTASIGRALR-UHFFFAOYSA-N 0 3 365.430 2.249 20 5 FEBDHN Cc1nccn1CCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129015922 326533563 /nfs/dbraw/zinc/53/35/63/326533563.db2.gz LZAYEIKGCBRVKS-UHFFFAOYSA-N 0 3 371.441 2.338 20 5 FEBDHN CS(=O)(=O)c1ccc(N2CCC[C@H](N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150881407 326670162 /nfs/dbraw/zinc/67/01/62/326670162.db2.gz QFRNPHKTXLQLQO-AWEZNQCLSA-N 0 3 367.471 2.453 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)C ZINC000164063658 327064215 /nfs/dbraw/zinc/06/42/15/327064215.db2.gz SIZQYWBHTZEUFA-AWEZNQCLSA-N 0 3 359.430 2.487 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)C ZINC000164063778 327064235 /nfs/dbraw/zinc/06/42/35/327064235.db2.gz SIZQYWBHTZEUFA-CQSZACIVSA-N 0 3 359.430 2.487 20 5 FEBDHN Cc1c([C@@H](C)NCCN2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000164279005 327068034 /nfs/dbraw/zinc/06/80/34/327068034.db2.gz JGNUMBGJXMNZET-MRXNPFEDSA-N 0 3 370.457 2.166 20 5 FEBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCN(CC4CCOCC4)CC3)cc2N1 ZINC000172411130 327200402 /nfs/dbraw/zinc/20/04/02/327200402.db2.gz DBJKOKJDBSMFAD-UHFFFAOYSA-N 0 3 374.441 2.028 20 5 FEBDHN CCCNC(=O)[C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173590886 327269510 /nfs/dbraw/zinc/26/95/10/327269510.db2.gz PYXLCYUSCKGPCB-CQSZACIVSA-N 0 3 365.430 2.220 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173628036 327272297 /nfs/dbraw/zinc/27/22/97/327272297.db2.gz OHUKDRSLAFCOJM-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000173669951 327275325 /nfs/dbraw/zinc/27/53/25/327275325.db2.gz KGRGERXCAWANCY-ZDUSSCGKSA-N 0 3 371.459 2.098 20 5 FEBDHN CCc1ccc(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174230825 327314550 /nfs/dbraw/zinc/31/45/50/327314550.db2.gz ZFEYTZLSKACHLS-OAHLLOKOSA-N 0 3 362.474 2.161 20 5 FEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732986 327346762 /nfs/dbraw/zinc/34/67/62/327346762.db2.gz RLQANRYEYCVARS-GXFFZTMASA-N 0 3 356.329 2.104 20 5 FEBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000248641997 328731501 /nfs/dbraw/zinc/73/15/01/328731501.db2.gz ZPVVXPPDAMAYKU-FFSVYQOJSA-N 0 3 351.403 2.478 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000264666112 329046268 /nfs/dbraw/zinc/04/62/68/329046268.db2.gz ZNSHOUMYBOEFOE-QGZVFWFLSA-N 0 3 367.471 2.375 20 5 FEBDHN CN1CCN(CC2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000264789606 329061080 /nfs/dbraw/zinc/06/10/80/329061080.db2.gz SLMLRSSOBZGFHN-QPJJXVBHSA-N 0 3 372.469 2.094 20 5 FEBDHN COc1ccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000265220317 329103551 /nfs/dbraw/zinc/10/35/51/329103551.db2.gz KOEUWTXCBNOZLC-CQSZACIVSA-N 0 3 350.419 2.087 20 5 FEBDHN COc1cc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000266908274 329271579 /nfs/dbraw/zinc/27/15/79/329271579.db2.gz ILJHZTSFZMATQJ-HNNXBMFYSA-N 0 3 362.382 2.181 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267411657 329324639 /nfs/dbraw/zinc/32/46/39/329324639.db2.gz KOGCKRGXPPWGIV-DOMZBBRYSA-N 0 3 357.414 2.267 20 5 FEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1N(C)C ZINC000270340346 329592398 /nfs/dbraw/zinc/59/23/98/329592398.db2.gz DTYSLTAQGJHJCW-WDEREUQCSA-N 0 3 361.265 2.234 20 5 FEBDHN Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000275166884 330017505 /nfs/dbraw/zinc/01/75/05/330017505.db2.gz VULABQBHGBQMOI-UHFFFAOYSA-N 0 3 360.370 2.197 20 5 FEBDHN CC1(C)C[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)O1 ZINC000275517583 330058548 /nfs/dbraw/zinc/05/85/48/330058548.db2.gz YPDPYLPKDBGGQX-CQSZACIVSA-N 0 3 365.386 2.198 20 5 FEBDHN CCOCCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276212318 330129878 /nfs/dbraw/zinc/12/98/78/330129878.db2.gz HUPIKZIQWGGMDA-UHFFFAOYSA-N 0 3 353.419 2.217 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000367234205 330233831 /nfs/dbraw/zinc/23/38/31/330233831.db2.gz LFLACMVGOXSTJE-AWEZNQCLSA-N 0 3 370.409 2.126 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156641175 545642181 /nfs/dbraw/zinc/64/21/81/545642181.db2.gz XUIWGSFLUGDNSF-CJNGLKHVSA-N 0 3 354.410 2.427 20 5 FEBDHN CN(CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000161447995 546130441 /nfs/dbraw/zinc/13/04/41/546130441.db2.gz AMQMVKGEGPDNQN-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN COCCN(C)CCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175859942 546363894 /nfs/dbraw/zinc/36/38/94/546363894.db2.gz PJGLATFFRCRKPV-AWEZNQCLSA-N 0 3 352.435 2.232 20 5 FEBDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000176045316 546395357 /nfs/dbraw/zinc/39/53/57/546395357.db2.gz LCNDHPCUKIFUMG-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN Cc1nn(CCC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000180177915 547064396 /nfs/dbraw/zinc/06/43/96/547064396.db2.gz WYIMCYLKOWKCMV-VQIMIIECSA-N 0 3 371.441 2.360 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC[C@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000183291316 547634258 /nfs/dbraw/zinc/63/42/58/547634258.db2.gz MZNBZVAORWGNSS-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000183894264 547735393 /nfs/dbraw/zinc/73/53/93/547735393.db2.gz QBJDOGSCQZPBPH-UHFFFAOYSA-N 0 3 363.462 2.441 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000184183576 547783389 /nfs/dbraw/zinc/78/33/89/547783389.db2.gz SRXZTBJYVGAIHC-UHFFFAOYSA-N 0 3 368.865 2.394 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000184316255 547806813 /nfs/dbraw/zinc/80/68/13/547806813.db2.gz ASDZQEZUJUDGJN-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000184620397 547855335 /nfs/dbraw/zinc/85/53/35/547855335.db2.gz QXXOBKHBUOUNFI-UHFFFAOYSA-N 0 3 364.324 2.049 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000485118799 561313061 /nfs/dbraw/zinc/31/30/61/561313061.db2.gz MHXQEWPMZCLXJO-UHFFFAOYSA-N 0 3 374.441 2.119 20 5 FEBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000485137039 561313726 /nfs/dbraw/zinc/31/37/26/561313726.db2.gz MYPXPRFAZWVWQO-UHFFFAOYSA-N 0 3 373.251 2.299 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C[NH+](C)C)CCCC1 ZINC000185099051 547932676 /nfs/dbraw/zinc/93/26/76/547932676.db2.gz ROECMGFVTZOIIY-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000485939803 561332931 /nfs/dbraw/zinc/33/29/31/561332931.db2.gz JZNPRVFGVIYHQO-ZDUSSCGKSA-N 0 3 369.487 2.385 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000193947526 548411757 /nfs/dbraw/zinc/41/17/57/548411757.db2.gz BUSJWHSCWYBSIQ-CYBMUJFWSA-N 0 3 350.419 2.277 20 5 FEBDHN CCN1CCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000194146060 548440684 /nfs/dbraw/zinc/44/06/84/548440684.db2.gz JMPXEPRDGNGGPI-CQSZACIVSA-N 0 3 365.430 2.145 20 5 FEBDHN COc1ccc(CSCC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237214998 548809008 /nfs/dbraw/zinc/80/90/08/548809008.db2.gz JILQLAKZTQCVJP-NEPJUHHUSA-N 0 3 353.444 2.045 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246065319 549044737 /nfs/dbraw/zinc/04/47/37/549044737.db2.gz DPKORCGBQZHCGC-YPMHNXCESA-N 0 3 373.862 2.496 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000246155862 549064907 /nfs/dbraw/zinc/06/49/07/549064907.db2.gz LGKKFYTUJMGATM-KGLIPLIRSA-N 0 3 353.444 2.151 20 5 FEBDHN O=C1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000246315532 549103130 /nfs/dbraw/zinc/10/31/30/549103130.db2.gz RDTHLMPPGDIVHE-GOEBONIOSA-N 0 3 359.426 2.449 20 5 FEBDHN NC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131970 /nfs/dbraw/zinc/13/19/70/549131970.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 0 3 358.442 2.142 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000246458098 549137579 /nfs/dbraw/zinc/13/75/79/549137579.db2.gz ABUDMRGVSUMBSF-CZUORRHYSA-N 0 3 353.444 2.008 20 5 FEBDHN COC(=O)c1cc(C)nc(N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488712917 561395127 /nfs/dbraw/zinc/39/51/27/561395127.db2.gz KHKQPVARPZXGSY-GFCCVEGCSA-N 0 3 362.430 2.395 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488724856 561395447 /nfs/dbraw/zinc/39/54/47/561395447.db2.gz ZQCOVAQKPRRWNH-UMVBOHGHSA-N 0 3 362.430 2.333 20 5 FEBDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000246716538 549194344 /nfs/dbraw/zinc/19/43/44/549194344.db2.gz KAAFBOIETJKBFS-HOCLYGCPSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1C ZINC000246824023 549221866 /nfs/dbraw/zinc/22/18/66/549221866.db2.gz BIBNLXLYNYYQCM-OCCSQVGLSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247324558 549318667 /nfs/dbraw/zinc/31/86/67/549318667.db2.gz IIAVQJLWRMOHTP-MFKMUULPSA-N 0 3 350.375 2.224 20 5 FEBDHN CCc1nc2c(s1)[C@@H](N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000248292269 549418721 /nfs/dbraw/zinc/41/87/21/549418721.db2.gz WVVFGPBTSMKMKC-OCCSQVGLSA-N 0 3 365.459 2.181 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000248930884 549527738 /nfs/dbraw/zinc/52/77/38/549527738.db2.gz XUIWGSFLUGDNSF-XJKSGUPXSA-N 0 3 354.410 2.427 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000249144749 549560636 /nfs/dbraw/zinc/56/06/36/549560636.db2.gz ZWYSJLWFCFYQME-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000249151151 549561071 /nfs/dbraw/zinc/56/10/71/549561071.db2.gz HGJGFCKTYBRWGI-KBPBESRZSA-N 0 3 355.460 2.135 20 5 FEBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000252222047 549663357 /nfs/dbraw/zinc/66/33/57/549663357.db2.gz ZHPORMUHSNDKGG-UONOGXRCSA-N 0 3 372.429 2.026 20 5 FEBDHN CCN1CCN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268466479 550070599 /nfs/dbraw/zinc/07/05/99/550070599.db2.gz GPHDAVUFIOVQNE-UHFFFAOYSA-N 0 3 372.267 2.192 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000270973279 550327210 /nfs/dbraw/zinc/32/72/10/550327210.db2.gz UFJWCUZTDJEDLX-HIFRSBDPSA-N 0 3 357.414 2.111 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000271337672 550366377 /nfs/dbraw/zinc/36/63/77/550366377.db2.gz ZVODZRARDBJFLQ-IBGZPJMESA-N 0 3 367.453 2.386 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000271337673 550366419 /nfs/dbraw/zinc/36/64/19/550366419.db2.gz ZVODZRARDBJFLQ-LJQANCHMSA-N 0 3 367.453 2.386 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272262675 550432186 /nfs/dbraw/zinc/43/21/86/550432186.db2.gz AVIMHEJZYXSGQR-ZBEGNZNMSA-N 0 3 356.382 2.015 20 5 FEBDHN COc1cc(CN2CCCN(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272337638 550439036 /nfs/dbraw/zinc/43/90/36/550439036.db2.gz XYEWDBPOPIAULU-UHFFFAOYSA-N 0 3 359.373 2.385 20 5 FEBDHN COC(=O)c1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000272891307 550475611 /nfs/dbraw/zinc/47/56/11/550475611.db2.gz AQGWFQPJXVQKGX-INIZCTEOSA-N 0 3 374.393 2.253 20 5 FEBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379404 550496350 /nfs/dbraw/zinc/49/63/50/550496350.db2.gz HGTKZWXJHMBNDG-JQWIXIFHSA-N 0 3 356.220 2.491 20 5 FEBDHN O=C1NC(=O)C2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)N1 ZINC000273800715 550511941 /nfs/dbraw/zinc/51/19/41/550511941.db2.gz WYSFFUJJOCSKMN-UHFFFAOYSA-N 0 3 370.365 2.029 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277433135 550669854 /nfs/dbraw/zinc/66/98/54/550669854.db2.gz GMWIIMVDMYVOJD-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277824940 550718596 /nfs/dbraw/zinc/71/85/96/550718596.db2.gz YQCPIRSDTIAJSO-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CN1C1CC1 ZINC000279367793 550882123 /nfs/dbraw/zinc/88/21/23/550882123.db2.gz GQNPVIXWTSRQPC-MNOVXSKESA-N 0 3 350.394 2.155 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](OCc2ccncc2)C1 ZINC000281075441 551060944 /nfs/dbraw/zinc/06/09/44/551060944.db2.gz UBKZRJRZDATZPK-IAGOWNOFSA-N 0 3 373.409 2.021 20 5 FEBDHN CCOc1ccc([C@H](C)NCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282885396 551281658 /nfs/dbraw/zinc/28/16/58/551281658.db2.gz VXPGDQUZRNROPF-AWEZNQCLSA-N 0 3 368.430 2.202 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000284548500 551575283 /nfs/dbraw/zinc/57/52/83/551575283.db2.gz PKLMXJHWIZZDRX-UHFFFAOYSA-N 0 3 356.220 2.490 20 5 FEBDHN O=c1cc(CN2CC[C@](O)(c3cn[nH]n3)C2)c2c(ccc3ccccc32)o1 ZINC000284889167 551659306 /nfs/dbraw/zinc/65/93/06/551659306.db2.gz SYASCDSKXSGOTO-HXUWFJFHSA-N 0 3 362.389 2.158 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359174 551743652 /nfs/dbraw/zinc/74/36/52/551743652.db2.gz QDPDKKPJYGPAQK-PBHICJAKSA-N 0 3 367.471 2.026 20 5 FEBDHN CCOC1CC2(C1)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285560399 551774749 /nfs/dbraw/zinc/77/47/49/551774749.db2.gz SMZIIYJGWGCNSH-ZLPCBKJTSA-N 0 3 350.415 2.226 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917175 551827068 /nfs/dbraw/zinc/82/70/68/551827068.db2.gz SSKZBQYEZHRBHD-STQMWFEESA-N 0 3 351.378 2.198 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1F ZINC000286720369 551918462 /nfs/dbraw/zinc/91/84/62/551918462.db2.gz NGCUHBHBKRZJMG-OCCSQVGLSA-N 0 3 371.434 2.290 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000286878416 551935646 /nfs/dbraw/zinc/93/56/46/551935646.db2.gz ZDQWZEZACGBUGT-DZGCQCFKSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343664 552137374 /nfs/dbraw/zinc/13/73/74/552137374.db2.gz JYHYPHYAGVDPSI-CHWSQXEVSA-N 0 3 364.421 2.499 20 5 FEBDHN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCN2CCCCC2)C1=O ZINC000288601123 552182777 /nfs/dbraw/zinc/18/27/77/552182777.db2.gz MQJSNBJLWUZUDO-GOSISDBHSA-N 0 3 360.414 2.238 20 5 FEBDHN NC(=O)c1ccnc(N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000290492532 552487921 /nfs/dbraw/zinc/48/79/21/552487921.db2.gz JLFJDICPMGSWHJ-HNNXBMFYSA-N 0 3 355.398 2.338 20 5 FEBDHN C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000290539490 552495265 /nfs/dbraw/zinc/49/52/65/552495265.db2.gz DYRYQYCZHSHPBG-JSGCOSHPSA-N 0 3 355.398 2.164 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291085022 552585315 /nfs/dbraw/zinc/58/53/15/552585315.db2.gz HBCSRJBXHBQBBG-AWEZNQCLSA-N 0 3 353.423 2.026 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291615385 552643541 /nfs/dbraw/zinc/64/35/41/552643541.db2.gz BOKSTHRURHZFCY-OAHLLOKOSA-N 0 3 373.862 2.273 20 5 FEBDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000292060335 552689305 /nfs/dbraw/zinc/68/93/05/552689305.db2.gz OPJGGSYYVGGMDZ-AWEZNQCLSA-N 0 3 367.471 2.231 20 5 FEBDHN CC(C)[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCC1 ZINC000293032126 552782416 /nfs/dbraw/zinc/78/24/16/552782416.db2.gz LJFNKHYKHSNFGQ-SFHVURJKSA-N 0 3 361.442 2.261 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000295426172 553005178 /nfs/dbraw/zinc/00/51/78/553005178.db2.gz XISUWHVSKXVDDK-VXGBXAGGSA-N 0 3 351.378 2.441 20 5 FEBDHN CC[C@H](C)N1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000296012659 553089405 /nfs/dbraw/zinc/08/94/05/553089405.db2.gz LHGXYFKSMSUMPE-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297288902 553274222 /nfs/dbraw/zinc/27/42/22/553274222.db2.gz XWFCWMXZZKNECZ-QGZVFWFLSA-N 0 3 355.442 2.359 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000297768950 553336604 /nfs/dbraw/zinc/33/66/04/553336604.db2.gz LWEMOEKDNCUAMO-RISCZKNCSA-N 0 3 351.378 2.299 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000297923805 553358170 /nfs/dbraw/zinc/35/81/70/553358170.db2.gz QSAARPPZMVPUDA-CQSZACIVSA-N 0 3 362.430 2.141 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)cc1OC ZINC000298203167 553397959 /nfs/dbraw/zinc/39/79/59/553397959.db2.gz JUDGWTAGRYMMFZ-UHFFFAOYSA-N 0 3 363.414 2.359 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000503452815 561641884 /nfs/dbraw/zinc/64/18/84/561641884.db2.gz IDUGWWWTAFKXAM-YOEHRIQHSA-N 0 3 369.487 2.272 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000298435627 553424660 /nfs/dbraw/zinc/42/46/60/553424660.db2.gz XLXLMXUTNJBPSG-UHFFFAOYSA-N 0 3 371.459 2.097 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000298828548 553478395 /nfs/dbraw/zinc/47/83/95/553478395.db2.gz GUIRTWUZKAUHHO-LSDHHAIUSA-N 0 3 374.441 2.235 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000301346635 553643839 /nfs/dbraw/zinc/64/38/39/553643839.db2.gz JZALEGNQSMPPJN-GFCCVEGCSA-N 0 3 352.391 2.082 20 5 FEBDHN C[C@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1C ZINC000301444607 553652194 /nfs/dbraw/zinc/65/21/94/553652194.db2.gz VEXYYXPCXGUPCG-ZFWWWQNUSA-N 0 3 371.441 2.478 20 5 FEBDHN COCCN(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000505067912 561665752 /nfs/dbraw/zinc/66/57/52/561665752.db2.gz HHBZOJBZLBBRGA-MRXNPFEDSA-N 0 3 374.441 2.373 20 5 FEBDHN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCc2ccccc2C1 ZINC000301922558 553691921 /nfs/dbraw/zinc/69/19/21/553691921.db2.gz LJMHEWYCGYYGAV-ZDUSSCGKSA-N 0 3 352.398 2.496 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(CC)C1 ZINC000330440853 554122318 /nfs/dbraw/zinc/12/23/18/554122318.db2.gz OVCNLDCCWQYZCH-CYBMUJFWSA-N 0 3 355.460 2.167 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000330925454 554189589 /nfs/dbraw/zinc/18/95/89/554189589.db2.gz UUCWCDSGQNQPTJ-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1C ZINC000332099725 554380236 /nfs/dbraw/zinc/38/02/36/554380236.db2.gz YDKJFQYBODWYRA-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000332107837 554381939 /nfs/dbraw/zinc/38/19/39/554381939.db2.gz ZYDHARYODNMEIT-GOEBONIOSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253768 554411082 /nfs/dbraw/zinc/41/10/82/554411082.db2.gz YNXTWCCIRPGQOQ-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@@H]3CCCCN3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332472569 554452578 /nfs/dbraw/zinc/45/25/78/554452578.db2.gz KLDDFOQOLJVKQF-KGLIPLIRSA-N 0 3 362.430 2.101 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956432 554857227 /nfs/dbraw/zinc/85/72/27/554857227.db2.gz KSYVRFDCKIDOLT-KGLIPLIRSA-N 0 3 361.423 2.403 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956430 554857495 /nfs/dbraw/zinc/85/74/95/554857495.db2.gz KSYVRFDCKIDOLT-KBPBESRZSA-N 0 3 361.423 2.403 20 5 FEBDHN Cc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)c1 ZINC000359975311 554858409 /nfs/dbraw/zinc/85/84/09/554858409.db2.gz QTZHEMCVOFELJN-UHFFFAOYSA-N 0 3 369.425 2.275 20 5 FEBDHN CN(C)C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000362165976 554953505 /nfs/dbraw/zinc/95/35/05/554953505.db2.gz YZBZXAMKSAIWJA-AWEZNQCLSA-N 0 3 370.409 2.363 20 5 FEBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363219411 555056715 /nfs/dbraw/zinc/05/67/15/555056715.db2.gz RPLSUGIGXCDKRD-AWEZNQCLSA-N 0 3 366.849 2.100 20 5 FEBDHN Cc1cnn(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000363667529 555159270 /nfs/dbraw/zinc/15/92/70/555159270.db2.gz WZYBYLMFWDFNHE-QGZVFWFLSA-N 0 3 360.414 2.177 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(CCc2ccccn2)CC1 ZINC000363871215 555203606 /nfs/dbraw/zinc/20/36/06/555203606.db2.gz AHPYMJAACARRTB-UHFFFAOYSA-N 0 3 369.425 2.164 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 ZINC000364229617 555274673 /nfs/dbraw/zinc/27/46/73/555274673.db2.gz NSYODBQLBYBQIH-HUUCEWRRSA-N 0 3 365.478 2.040 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364956819 555449793 /nfs/dbraw/zinc/44/97/93/555449793.db2.gz QBECPTZCPUPANC-OAHLLOKOSA-N 0 3 369.425 2.214 20 5 FEBDHN Cc1sc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365207160 555511005 /nfs/dbraw/zinc/51/10/05/555511005.db2.gz KNUDSVLLHYSFSA-AWEZNQCLSA-N 0 3 366.487 2.064 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000365696148 555642939 /nfs/dbraw/zinc/64/29/39/555642939.db2.gz REBWPLPDKVEMBL-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(CCO)CC1 ZINC000513568072 561943292 /nfs/dbraw/zinc/94/32/92/561943292.db2.gz KBYAFBAUUXWPOT-UHFFFAOYSA-N 0 3 359.373 2.085 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000367331802 556020402 /nfs/dbraw/zinc/02/04/02/556020402.db2.gz HFGSROQIXFSHIH-IBGZPJMESA-N 0 3 356.426 2.250 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674193 556110977 /nfs/dbraw/zinc/11/09/77/556110977.db2.gz UNWUHVWETUYCHG-OAHLLOKOSA-N 0 3 373.457 2.195 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072115 556210416 /nfs/dbraw/zinc/21/04/16/556210416.db2.gz IEFBYUVAKAXAIE-LJQANCHMSA-N 0 3 357.410 2.130 20 5 FEBDHN Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368536260 556338737 /nfs/dbraw/zinc/33/87/37/556338737.db2.gz DWIHNZCPWPKKBS-UHFFFAOYSA-N 0 3 370.409 2.398 20 5 FEBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000368931344 556451493 /nfs/dbraw/zinc/45/14/93/556451493.db2.gz NZYVLXQWNDGDPH-UHFFFAOYSA-N 0 3 370.409 2.496 20 5 FEBDHN CN(C(=O)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369008232 556474817 /nfs/dbraw/zinc/47/48/17/556474817.db2.gz HQPUFSZVXNECSM-INIZCTEOSA-N 0 3 357.414 2.481 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369069007 556496435 /nfs/dbraw/zinc/49/64/35/556496435.db2.gz YCLWCANHCOPYKN-OAHLLOKOSA-N 0 3 374.441 2.222 20 5 FEBDHN Cc1cc(C(=O)N2CCC(CCN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000369311409 556571868 /nfs/dbraw/zinc/57/18/68/556571868.db2.gz WBFITPLJPLSULN-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000369353775 556577706 /nfs/dbraw/zinc/57/77/06/556577706.db2.gz IYSCDLXUBUUEPP-CQSZACIVSA-N 0 3 366.849 2.100 20 5 FEBDHN CN(C(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000369683369 556667694 /nfs/dbraw/zinc/66/76/94/556667694.db2.gz WZQCOBLEKCRLKS-UHFFFAOYSA-N 0 3 357.414 2.481 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000369715048 556676340 /nfs/dbraw/zinc/67/63/40/556676340.db2.gz OKEKIWAUKKKRMJ-UHFFFAOYSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1nnc(C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)[nH]1 ZINC000370378289 556855038 /nfs/dbraw/zinc/85/50/38/556855038.db2.gz YXWNCXGAHCGJGM-UHFFFAOYSA-N 0 3 358.402 2.148 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227273 557112362 /nfs/dbraw/zinc/11/23/62/557112362.db2.gz CIQQXWVPVXUXBJ-IAQYHMDHSA-N 0 3 363.805 2.394 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227273 557112368 /nfs/dbraw/zinc/11/23/68/557112368.db2.gz CIQQXWVPVXUXBJ-IAQYHMDHSA-N 0 3 363.805 2.394 20 5 FEBDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000372353599 557448097 /nfs/dbraw/zinc/44/80/97/557448097.db2.gz ANWPTHJVBCYKOH-NVXWUHKLSA-N 0 3 360.458 2.001 20 5 FEBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCCN(C4CCOCC4)CC3)cc2N1 ZINC000374247710 557850006 /nfs/dbraw/zinc/85/00/06/557850006.db2.gz OELJUAYLDUPVFW-UHFFFAOYSA-N 0 3 374.441 2.171 20 5 FEBDHN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375027073 557966566 /nfs/dbraw/zinc/96/65/66/557966566.db2.gz JDMDECWNPWURME-UHFFFAOYSA-N 0 3 370.409 2.352 20 5 FEBDHN O=C(c1cc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556449 558048137 /nfs/dbraw/zinc/04/81/37/558048137.db2.gz GWTHREZWGCYTHZ-HOTGVXAUSA-N 0 3 374.441 2.106 20 5 FEBDHN Cn1nccc1C1=CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375692247 558068306 /nfs/dbraw/zinc/06/83/06/558068306.db2.gz WIQIYHNRJGQKJA-UHFFFAOYSA-N 0 3 355.398 2.446 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000378318645 558528576 /nfs/dbraw/zinc/52/85/76/558528576.db2.gz XPQMALVRPIYQMM-PKOBYXMFSA-N 0 3 357.410 2.345 20 5 FEBDHN Cc1c(CC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364644 558539765 /nfs/dbraw/zinc/53/97/65/558539765.db2.gz CYIYPLMHVPRMTG-HNNXBMFYSA-N 0 3 374.485 2.073 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(CCN(C)C)CC1 ZINC000378365124 558539994 /nfs/dbraw/zinc/53/99/94/558539994.db2.gz IEXFXPLHAYLHSM-UHFFFAOYSA-N 0 3 362.474 2.230 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1C ZINC000408337384 558667737 /nfs/dbraw/zinc/66/77/37/558667737.db2.gz UNNKKQGLKAOCCK-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)cc1SC ZINC000524774630 562234546 /nfs/dbraw/zinc/23/45/46/562234546.db2.gz RUPHTYWACNBAOU-NSHDSACASA-N 0 3 353.444 2.397 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000411180569 558849550 /nfs/dbraw/zinc/84/95/50/558849550.db2.gz NIGVFHOVXCSMDB-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN COC[C@@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411812573 558968060 /nfs/dbraw/zinc/96/80/60/558968060.db2.gz YRVFMRMZYKCJCT-ZDUSSCGKSA-N 0 3 351.403 2.433 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2c(cnn2C)C1 ZINC000411861874 558978048 /nfs/dbraw/zinc/97/80/48/558978048.db2.gz XWKVSCBIVDIPEF-UHFFFAOYSA-N 0 3 357.414 2.414 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC(C)(C)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411877198 558981065 /nfs/dbraw/zinc/98/10/65/558981065.db2.gz QPGZNDASHUZGSZ-CJNGLKHVSA-N 0 3 363.414 2.289 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411973293 558997971 /nfs/dbraw/zinc/99/79/71/558997971.db2.gz XBHQQUFLSKNPFJ-IBGZPJMESA-N 0 3 355.394 2.232 20 5 FEBDHN CC(C)[C@H]1N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159990 559151099 /nfs/dbraw/zinc/15/10/99/559151099.db2.gz XIDMEYPSFWCPHW-MAUKXSAKSA-N 0 3 364.442 2.472 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCN(C)c3ccncc32)c(C)cc1[N+](=O)[O-] ZINC000414438063 559164050 /nfs/dbraw/zinc/16/40/50/559164050.db2.gz CRHRSRYGMRWMBC-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN CNCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414952774 559196792 /nfs/dbraw/zinc/19/67/92/559196792.db2.gz QXSOETPDDSLACY-ZDUSSCGKSA-N 0 3 370.409 2.439 20 5 FEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000415384443 559229702 /nfs/dbraw/zinc/22/97/02/559229702.db2.gz TVLRLYURRFEYDY-KRWDZBQOSA-N 0 3 370.409 2.473 20 5 FEBDHN NCc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC000415949455 559283922 /nfs/dbraw/zinc/28/39/22/559283922.db2.gz BVAMGOQKLAFZDN-UHFFFAOYSA-N 0 3 372.307 2.091 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416384886 559309177 /nfs/dbraw/zinc/30/91/77/559309177.db2.gz OOOKCKWENNIVBN-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CN1CCN(C(=O)CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417300706 559356471 /nfs/dbraw/zinc/35/64/71/559356471.db2.gz ASQQGWJKXMJDBS-GOSISDBHSA-N 0 3 360.458 2.116 20 5 FEBDHN O=C(NCCCNCc1cccnc1)NCCc1ccccc1[N+](=O)[O-] ZINC000417767278 559375740 /nfs/dbraw/zinc/37/57/40/559375740.db2.gz QDFBLDDSKNHNBI-UHFFFAOYSA-N 0 3 357.414 2.011 20 5 FEBDHN O=C(N[C@H]1CNCCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775483 559415429 /nfs/dbraw/zinc/41/54/29/559415429.db2.gz WNLVKHCQCPFXJJ-AWEZNQCLSA-N 0 3 354.357 2.266 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000420462009 559488754 /nfs/dbraw/zinc/48/87/54/559488754.db2.gz MITFVWZKKNLIAZ-HNNXBMFYSA-N 0 3 363.439 2.444 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)c1[N+](=O)[O-] ZINC000420475529 559489636 /nfs/dbraw/zinc/48/96/36/559489636.db2.gz MPZVQFLEFDTWQO-CQSZACIVSA-N 0 3 361.423 2.290 20 5 FEBDHN CON1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421204670 559530882 /nfs/dbraw/zinc/53/08/82/559530882.db2.gz FVOXIVOUBLAYQU-JTQLQIEISA-N 0 3 356.810 2.191 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000421795426 559553771 /nfs/dbraw/zinc/55/37/71/559553771.db2.gz IGALLTBMDHJSMG-INIZCTEOSA-N 0 3 374.485 2.452 20 5 FEBDHN N[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039090 559616043 /nfs/dbraw/zinc/61/60/43/559616043.db2.gz PRSLKYAGAGKZMF-IRXDYDNUSA-N 0 3 361.423 2.103 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081616 559618006 /nfs/dbraw/zinc/61/80/06/559618006.db2.gz DJMZHQFRFMHSML-GJZGRUSLSA-N 0 3 359.348 2.470 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000424239139 559659077 /nfs/dbraw/zinc/65/90/77/559659077.db2.gz LQRANENGONPCBH-AWEZNQCLSA-N 0 3 372.381 2.198 20 5 FEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC(=O)N(C)C1=O ZINC000424309594 559661158 /nfs/dbraw/zinc/66/11/58/559661158.db2.gz AVDBQUDKYQFHSH-NEPJUHHUSA-N 0 3 351.428 2.203 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425059278 559685783 /nfs/dbraw/zinc/68/57/83/559685783.db2.gz RAAYEJONVDXWDH-MEDUHNTESA-N 0 3 356.382 2.015 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000426840984 559742730 /nfs/dbraw/zinc/74/27/30/559742730.db2.gz SKETWGAOQOWPTE-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988669 559787546 /nfs/dbraw/zinc/78/75/46/559787546.db2.gz AKLUWSOZYNPPCB-ZRGWGRIASA-N 0 3 372.469 2.146 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018054 559788821 /nfs/dbraw/zinc/78/88/21/559788821.db2.gz HJLRYJNQJDXQBA-VKJFTORMSA-N 0 3 372.469 2.146 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026765 559789263 /nfs/dbraw/zinc/78/92/63/559789263.db2.gz AATDBSVGTXXMFX-WTLGNFPFSA-N 0 3 372.469 2.362 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429236837 559793498 /nfs/dbraw/zinc/79/34/98/559793498.db2.gz MSGQXQOUHDULMK-WCQYABFASA-N 0 3 371.393 2.393 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432339343 559856699 /nfs/dbraw/zinc/85/66/99/559856699.db2.gz YXZVXTIRQPGKCD-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000434000405 559892414 /nfs/dbraw/zinc/89/24/14/559892414.db2.gz ZRVVLHMLAMFCGA-AEFFLSMTSA-N 0 3 357.414 2.229 20 5 FEBDHN O=C(NCCNc1ccncc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439041827 559987606 /nfs/dbraw/zinc/98/76/06/559987606.db2.gz RWVAPFFXKNKJOG-UHFFFAOYSA-N 0 3 354.288 2.272 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000443712548 560090936 /nfs/dbraw/zinc/09/09/36/560090936.db2.gz WNYAADWRRLHNCC-ZIAGYGMSSA-N 0 3 355.460 2.277 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CC[NH+](C2CC2)CC1 ZINC000445074955 560128209 /nfs/dbraw/zinc/12/82/09/560128209.db2.gz WZYNBUIRBSCXIW-UHFFFAOYSA-N 0 3 373.862 2.401 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1 ZINC000445078943 560128359 /nfs/dbraw/zinc/12/83/59/560128359.db2.gz QNYJMQZYUAIVHQ-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448317476 560183944 /nfs/dbraw/zinc/18/39/44/560183944.db2.gz IFZIIOZNQAGKRF-OAHLLOKOSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448691403 560194652 /nfs/dbraw/zinc/19/46/52/560194652.db2.gz QGNNFGIJEDGPDC-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000449322643 560225005 /nfs/dbraw/zinc/22/50/05/560225005.db2.gz YNJFSMMVDSEBEZ-UKRRQHHQSA-N 0 3 367.471 2.072 20 5 FEBDHN CC(=O)N1CCCN(C[C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232401 /nfs/dbraw/zinc/23/24/01/560232401.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 0 3 374.485 2.361 20 5 FEBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449658128 560235831 /nfs/dbraw/zinc/23/58/31/560235831.db2.gz AGZKPBRYUFNZNF-SNVBAGLBSA-N 0 3 353.247 2.341 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000450701337 560270868 /nfs/dbraw/zinc/27/08/68/560270868.db2.gz VZEANMHTGGSJNX-DYVFJYSZSA-N 0 3 355.398 2.151 20 5 FEBDHN O=C(CCN1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882283 560334346 /nfs/dbraw/zinc/33/43/46/560334346.db2.gz CMUPSPDAHFIIGL-IINYFYTJSA-N 0 3 361.320 2.169 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000451916399 560337046 /nfs/dbraw/zinc/33/70/46/560337046.db2.gz KWRHEWGFTKVLDT-CYBMUJFWSA-N 0 3 366.849 2.035 20 5 FEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000452728024 560372232 /nfs/dbraw/zinc/37/22/32/560372232.db2.gz HLQAQZZRARLQSY-UHFFFAOYSA-N 0 3 357.414 2.113 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454528525 560448412 /nfs/dbraw/zinc/44/84/12/560448412.db2.gz OZCIBMTWPBMYLK-XJKSGUPXSA-N 0 3 350.419 2.066 20 5 FEBDHN Cc1c(C(=O)NCCN2CCCC2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457067965 560546818 /nfs/dbraw/zinc/54/68/18/560546818.db2.gz CXOFPNUJITYLKP-UHFFFAOYSA-N 0 3 372.429 2.088 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457079044 560547492 /nfs/dbraw/zinc/54/74/92/560547492.db2.gz RTZBDOUZRUFXPW-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457084586 560547868 /nfs/dbraw/zinc/54/78/68/560547868.db2.gz YRTUBZCVMXZYHC-UHFFFAOYSA-N 0 3 363.414 2.376 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457109430 560549626 /nfs/dbraw/zinc/54/96/26/560549626.db2.gz GTPBKQGJVHOSCP-ZDUSSCGKSA-N 0 3 358.398 2.403 20 5 FEBDHN Cc1nn(C)c(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458190402 560607827 /nfs/dbraw/zinc/60/78/27/560607827.db2.gz FCWFBTIJTNUHSW-UHFFFAOYSA-N 0 3 361.402 2.138 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492094 560689604 /nfs/dbraw/zinc/68/96/04/560689604.db2.gz ZQLMLXCXVOBRJY-OKILXGFUSA-N 0 3 364.446 2.347 20 5 FEBDHN COCCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000464725150 560849200 /nfs/dbraw/zinc/84/92/00/560849200.db2.gz VGENYPQEXAYRHE-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000468475182 560931029 /nfs/dbraw/zinc/93/10/29/560931029.db2.gz MUIQGRNQQONKPS-HNNXBMFYSA-N 0 3 363.414 2.232 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000470292916 560977931 /nfs/dbraw/zinc/97/79/31/560977931.db2.gz LPFIMBHZPPANEF-UHFFFAOYSA-N 0 3 372.429 2.027 20 5 FEBDHN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000471132177 560998874 /nfs/dbraw/zinc/99/88/74/560998874.db2.gz VEGNSBOXSDPAAP-CJNGLKHVSA-N 0 3 359.430 2.334 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000474347823 561071887 /nfs/dbraw/zinc/07/18/87/561071887.db2.gz GKAVNYNRSMYISE-MRXNPFEDSA-N 0 3 366.414 2.177 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000474375404 561072605 /nfs/dbraw/zinc/07/26/05/561072605.db2.gz UEBDTZBPMPWSHD-CQSZACIVSA-N 0 3 365.430 2.111 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000475692706 561102337 /nfs/dbraw/zinc/10/23/37/561102337.db2.gz JIWRWSBSSRZHLP-UHFFFAOYSA-N 0 3 364.398 2.149 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N2CCCC2)cc1 ZINC000476354721 561117323 /nfs/dbraw/zinc/11/73/23/561117323.db2.gz NTWMKRAGTVCFMU-MRXNPFEDSA-N 0 3 357.414 2.204 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000530397058 562409732 /nfs/dbraw/zinc/40/97/32/562409732.db2.gz ZDMMKXDLDHVBKY-UHFFFAOYSA-N 0 3 363.462 2.361 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1 ZINC000532342388 562474715 /nfs/dbraw/zinc/47/47/15/562474715.db2.gz DFLCHABKCIHIFH-MRXNPFEDSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000532981603 562494652 /nfs/dbraw/zinc/49/46/52/562494652.db2.gz KAGUQFBEGFLZCO-HNNXBMFYSA-N 0 3 374.441 2.319 20 5 FEBDHN COc1ccc2c(c1)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000534841533 562543647 /nfs/dbraw/zinc/54/36/47/562543647.db2.gz WAEMRRJGNSRCAK-SFHVURJKSA-N 0 3 372.421 2.444 20 5 FEBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000537245627 562588613 /nfs/dbraw/zinc/58/86/13/562588613.db2.gz ZSNSRIZKWQMHJV-UHFFFAOYSA-N 0 3 354.204 2.349 20 5 FEBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602785 562616195 /nfs/dbraw/zinc/61/61/95/562616195.db2.gz XBYMZSJXFCCGET-RDJZCZTQSA-N 0 3 362.430 2.426 20 5 FEBDHN O=[N+]([O-])c1sc(CN[C@H](CO)[C@H]2CCCOC2)cc1Br ZINC000602690474 568015198 /nfs/dbraw/zinc/01/51/98/568015198.db2.gz NNEWGHGBRSCWBO-GZMMTYOYSA-N 0 3 365.249 2.296 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577191 568058691 /nfs/dbraw/zinc/05/86/91/568058691.db2.gz ZTBNFZULYFRILE-CZUORRHYSA-N 0 3 362.430 2.228 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254995 568320969 /nfs/dbraw/zinc/32/09/69/568320969.db2.gz GOBPUKDLEWDKRW-SGMGOOAPSA-N 0 3 361.398 2.126 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(CO)c1ccccc1 ZINC000609483888 568342006 /nfs/dbraw/zinc/34/20/06/568342006.db2.gz NXXCNIKNLUEBHJ-LJQANCHMSA-N 0 3 373.409 2.429 20 5 FEBDHN Cc1cc(OCC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395282 568400474 /nfs/dbraw/zinc/40/04/74/568400474.db2.gz OKMDDMRGNYRCCM-DDUZABMNSA-N 0 3 361.442 2.471 20 5 FEBDHN COc1cc(F)cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569448526 568402763 /nfs/dbraw/zinc/40/27/63/568402763.db2.gz CXMZYUJFDHTDNO-CQSZACIVSA-N 0 3 350.346 2.272 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569802227 568425823 /nfs/dbraw/zinc/42/58/23/568425823.db2.gz SFCFAYAXSXVVHA-CYBMUJFWSA-N 0 3 357.414 2.220 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569802227 568425824 /nfs/dbraw/zinc/42/58/24/568425824.db2.gz SFCFAYAXSXVVHA-CYBMUJFWSA-N 0 3 357.414 2.220 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000570233860 568464030 /nfs/dbraw/zinc/46/40/30/568464030.db2.gz POHWJCCWVAFPDW-UHFFFAOYSA-N 0 3 351.451 2.133 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000570758631 568511251 /nfs/dbraw/zinc/51/12/51/568511251.db2.gz SWSFTISUWQONQU-ZVZYQTTQSA-N 0 3 374.441 2.078 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640231 599058858 /nfs/dbraw/zinc/05/88/58/599058858.db2.gz YIGQMIAYLXCWKE-ZDUSSCGKSA-N 0 3 357.418 2.087 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640231 599058860 /nfs/dbraw/zinc/05/88/60/599058860.db2.gz YIGQMIAYLXCWKE-ZDUSSCGKSA-N 0 3 357.418 2.087 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925374 674428131 /nfs/dbraw/zinc/42/81/31/674428131.db2.gz RSQCPRCMSGNCFH-NVXWUHKLSA-N 0 3 367.471 2.376 20 5 FEBDHN C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824568616 607530878 /nfs/dbraw/zinc/53/08/78/607530878.db2.gz BCIXZOQBMXUNCW-BDJLRTHQSA-N 0 3 354.370 2.159 20 5 FEBDHN C[NH+](C)CCCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000825859184 608304974 /nfs/dbraw/zinc/30/49/74/608304974.db2.gz DLDQLLXDGMUJJE-UHFFFAOYSA-N 0 3 359.434 2.333 20 5 FEBDHN C[NH+](C)CCCC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000825859184 608304976 /nfs/dbraw/zinc/30/49/76/608304976.db2.gz DLDQLLXDGMUJJE-UHFFFAOYSA-N 0 3 359.434 2.333 20 5 FEBDHN CC(COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813103163 674719517 /nfs/dbraw/zinc/71/95/17/674719517.db2.gz YOJQTQPDACMQBA-FPMFFAJLSA-N 0 3 356.419 2.478 20 5 FEBDHN CC(COC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813106535 674720682 /nfs/dbraw/zinc/72/06/82/674720682.db2.gz CWBIURRMFLMWCX-GXTWGEPZSA-N 0 3 352.387 2.331 20 5 FEBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(Br)cc1 ZINC000813111654 674720857 /nfs/dbraw/zinc/72/08/57/674720857.db2.gz JYRZNVRCTZMPII-TVQRCGJNSA-N 0 3 373.203 2.225 20 5 FEBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000813641843 674763912 /nfs/dbraw/zinc/76/39/12/674763912.db2.gz NYHBZMXXJUDAAR-UHFFFAOYSA-N 0 3 356.231 2.132 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047147845 670235267 /nfs/dbraw/zinc/23/52/67/670235267.db2.gz NKGPHDPLRYPRTG-NSHDSACASA-N 0 3 350.375 2.273 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000068084505 670465851 /nfs/dbraw/zinc/46/58/51/670465851.db2.gz JUVGYWYLSCHONK-RYUDHWBXSA-N 0 3 350.375 2.353 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000083991609 670663514 /nfs/dbraw/zinc/66/35/14/670663514.db2.gz MKORNCYPJMNSBF-LLVKDONJSA-N 0 3 361.851 2.177 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000574328099 671227164 /nfs/dbraw/zinc/22/71/64/671227164.db2.gz SHXRRAHKAHCWFS-OLZOCXBDSA-N 0 3 371.459 2.097 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000578063969 671637654 /nfs/dbraw/zinc/63/76/54/671637654.db2.gz LGLMZLMBGREBQR-GJZGRUSLSA-N 0 3 369.487 2.079 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173994976 672357126 /nfs/dbraw/zinc/35/71/26/672357126.db2.gz YRUFUKVYMVVKID-GFCCVEGCSA-N 0 3 361.851 2.353 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000586784262 672434433 /nfs/dbraw/zinc/43/44/33/672434433.db2.gz RYUXXBPHQWUBCQ-OMVNSRBRSA-N 0 3 365.455 2.154 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590046970 672556596 /nfs/dbraw/zinc/55/65/96/672556596.db2.gz QEUYGKLGAQXGHI-QMTHXVAHSA-N 0 3 368.231 2.442 20 5 FEBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565848 672590382 /nfs/dbraw/zinc/59/03/82/672590382.db2.gz RLHLYXCWGVHNLM-HIFRSBDPSA-N 0 3 353.806 2.183 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H](CO)CCF)c1 ZINC000593689631 672979413 /nfs/dbraw/zinc/97/94/13/672979413.db2.gz ORAUWIOMNUZNSO-SNVBAGLBSA-N 0 3 368.146 2.010 20 5 FEBDHN CC(C)OC(=O)C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000594045630 673025146 /nfs/dbraw/zinc/02/51/46/673025146.db2.gz JWZOJXLXTPOOPE-AWEZNQCLSA-N 0 3 351.403 2.150 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)c1 ZINC000594854218 673165151 /nfs/dbraw/zinc/16/51/51/673165151.db2.gz FQFGYEIEELDKLK-ZDUSSCGKSA-N 0 3 353.444 2.280 20 5 FEBDHN COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594992951 673183746 /nfs/dbraw/zinc/18/37/46/673183746.db2.gz MBSJBVYGFHXZNO-NSHDSACASA-N 0 3 351.403 2.046 20 5 FEBDHN COc1cc(CN[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681825 673243367 /nfs/dbraw/zinc/24/33/67/673243367.db2.gz KFPJMVNKXRMEBZ-NSHDSACASA-N 0 3 363.336 2.338 20 5 FEBDHN COc1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595467288 673254478 /nfs/dbraw/zinc/25/44/78/673254478.db2.gz JYAYRLJRCWUTTR-CYBMUJFWSA-N 0 3 350.419 2.275 20 5 FEBDHN COC[C@H](CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000595562895 673267365 /nfs/dbraw/zinc/26/73/65/673267365.db2.gz MWEYGRAYVVKGGZ-ULQDDVLXSA-N 0 3 352.431 2.362 20 5 FEBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000595615401 673273738 /nfs/dbraw/zinc/27/37/38/673273738.db2.gz MGIOOLYHZUICLN-HNNXBMFYSA-N 0 3 371.821 2.218 20 5 FEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500590 673332708 /nfs/dbraw/zinc/33/27/08/673332708.db2.gz MPYMHXMMDOVUOV-MRXNPFEDSA-N 0 3 351.378 2.107 20 5 FEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596075035 673356484 /nfs/dbraw/zinc/35/64/84/673356484.db2.gz XJWLJFSFPDZQQK-UHFFFAOYSA-N 0 3 370.837 2.084 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000596123676 673361318 /nfs/dbraw/zinc/36/13/18/673361318.db2.gz ZMCQPWHANWOPMM-UHFFFAOYSA-N 0 3 371.279 2.431 20 5 FEBDHN Nc1c(C(=O)NC[C@H]2CCN2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600229946 673750161 /nfs/dbraw/zinc/75/01/61/673750161.db2.gz YQVRMEIZCNEGEG-CYBMUJFWSA-N 0 3 350.394 2.453 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000601347356 673846365 /nfs/dbraw/zinc/84/63/65/673846365.db2.gz IYCNXGPNKRFZNQ-LBPRGKRZSA-N 0 3 359.423 2.005 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601355285 673847141 /nfs/dbraw/zinc/84/71/41/673847141.db2.gz NAXYKFYYEKCRKE-PWSUYJOCSA-N 0 3 361.489 2.458 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372045 673850084 /nfs/dbraw/zinc/85/00/84/673850084.db2.gz QMEMYIPOGBKCOP-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767098 673910756 /nfs/dbraw/zinc/91/07/56/673910756.db2.gz VSJWRVHYDUISJO-HIFRSBDPSA-N 0 3 351.451 2.117 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)CC2CCCCC2)cc1 ZINC000566233774 675196916 /nfs/dbraw/zinc/19/69/16/675196916.db2.gz MUJZGBJOQMJPJO-OAHLLOKOSA-N 0 3 370.471 2.289 20 5 FEBDHN Cc1c(CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819262360 675274998 /nfs/dbraw/zinc/27/49/98/675274998.db2.gz UWHSQRZABQYEBQ-CQSZACIVSA-N 0 3 353.419 2.221 20 5 FEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825877766 675672441 /nfs/dbraw/zinc/67/24/41/675672441.db2.gz PEZLJHWZFFRTHU-JTQLQIEISA-N 0 3 371.235 2.357 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000827445285 675756439 /nfs/dbraw/zinc/75/64/39/675756439.db2.gz KSBSFXYPZXHATK-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000619475091 676379105 /nfs/dbraw/zinc/37/91/05/676379105.db2.gz WBAHUSSDSXFILD-UHFFFAOYSA-N 0 3 371.459 2.097 20 5 FEBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849854 680857410 /nfs/dbraw/zinc/85/74/10/680857410.db2.gz RSNPDAHEMAPVQM-YVEFUNNKSA-N 0 3 364.423 2.383 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000837191347 680565867 /nfs/dbraw/zinc/56/58/67/680565867.db2.gz NGLYFPYLWDKCTQ-GFCCVEGCSA-N 0 3 352.410 2.355 20 5 FEBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2ccc(Cl)s2)CC1 ZINC001005379204 680573431 /nfs/dbraw/zinc/57/34/31/680573431.db2.gz QFTUDWJZFVZJHE-CHWSQXEVSA-N 0 3 357.863 2.490 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770016890 681002981 /nfs/dbraw/zinc/00/29/81/681002981.db2.gz RHCVCKXGWVNVKM-GFCCVEGCSA-N 0 3 356.810 2.481 20 5 FEBDHN COCc1nn(C)cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880072 681159115 /nfs/dbraw/zinc/15/91/15/681159115.db2.gz KSCRNUGFZNARHU-BMIGLBTASA-N 0 3 351.334 2.269 20 5 FEBDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850551267 681915427 /nfs/dbraw/zinc/91/54/27/681915427.db2.gz UNELLOMGMHFTGR-SNVBAGLBSA-N 0 3 368.821 2.176 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000916660517 685526665 /nfs/dbraw/zinc/52/66/65/685526665.db2.gz QJFVGSHJSDNVDS-NEPJUHHUSA-N 0 3 373.862 2.129 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916666388 685526827 /nfs/dbraw/zinc/52/68/27/685526827.db2.gz JXVQHBUOBNWIIY-NEPJUHHUSA-N 0 3 373.862 2.129 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000784724929 682249025 /nfs/dbraw/zinc/24/90/25/682249025.db2.gz UUZLTEUBLYBAKJ-VXGBXAGGSA-N 0 3 361.851 2.318 20 5 FEBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342957 683392405 /nfs/dbraw/zinc/39/24/05/683392405.db2.gz FQCPLQKAGJZDHP-GUYCJALGSA-N 0 3 351.403 2.049 20 5 FEBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928440918 683451407 /nfs/dbraw/zinc/45/14/07/683451407.db2.gz ODASTVMLOFCCSM-NOZJJQNGSA-N 0 3 356.220 2.109 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CCN(C)CC1 ZINC000861892511 683494109 /nfs/dbraw/zinc/49/41/09/683494109.db2.gz IUMOSODJMAAUNU-UHFFFAOYSA-N 0 3 352.410 2.356 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](O)C23CCOCC3)ccc1Br ZINC000923024009 683822048 /nfs/dbraw/zinc/82/20/48/683822048.db2.gz NKEGIUYWUJQFGV-KBPBESRZSA-N 0 3 371.231 2.377 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000867197710 684224568 /nfs/dbraw/zinc/22/45/68/684224568.db2.gz KXPOWIILYGOGMS-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN COc1cc(C(=O)N2CCN(C)C(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000871152206 684791192 /nfs/dbraw/zinc/79/11/92/684791192.db2.gz RYNGQQWMXNLEAQ-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N1CCN(C)CC1 ZINC000872031783 684916416 /nfs/dbraw/zinc/91/64/16/684916416.db2.gz MRCKOGUOMBMSTC-CYBMUJFWSA-N 0 3 366.487 2.131 20 5 FEBDHN C[C@@](CO)(NC[C@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273607 686784657 /nfs/dbraw/zinc/78/46/57/686784657.db2.gz WRBQXNVPFZLSCS-SJORKVTESA-N 0 3 350.415 2.120 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c1[N+](=O)[O-] ZINC000882767811 687479088 /nfs/dbraw/zinc/47/90/88/687479088.db2.gz DADGZBJNTABXGI-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCNCCC23CCC3)cc1[N+](=O)[O-] ZINC000883477401 687642513 /nfs/dbraw/zinc/64/25/13/687642513.db2.gz BMICEJRXLFGIRL-UHFFFAOYSA-N 0 3 373.862 2.463 20 5 FEBDHN C[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851767 691182812 /nfs/dbraw/zinc/18/28/12/691182812.db2.gz CXAFETVJXCGZMJ-MAZHCROVSA-N 0 3 364.471 2.091 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCCN1CCO ZINC000908539717 691695514 /nfs/dbraw/zinc/69/55/14/691695514.db2.gz BGXKPQDCVWIOOY-HNNXBMFYSA-N 0 3 369.849 2.144 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979174 722100732 /nfs/dbraw/zinc/10/07/32/722100732.db2.gz HGASRGJUXSEYSE-WMZOPIPTSA-N 0 3 369.425 2.112 20 5 FEBDHN CC(C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCN(C)CC1 ZINC000486428297 887912134 /nfs/dbraw/zinc/91/21/34/887912134.db2.gz BZXCEOZIZTWAOZ-INIZCTEOSA-N 0 3 374.445 2.329 20 5 FEBDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171286 539613622 /nfs/dbraw/zinc/61/36/22/539613622.db2.gz OQLCYYVPOMBELZ-ZDUSSCGKSA-N 0 3 370.456 2.019 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000016599545 539634557 /nfs/dbraw/zinc/63/45/57/539634557.db2.gz AFPOFQLHUHGNTJ-MRXNPFEDSA-N 0 3 371.393 2.399 20 5 FEBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000033135233 539969914 /nfs/dbraw/zinc/96/99/14/539969914.db2.gz KWHVYWSJOKVKNJ-MRXNPFEDSA-N 0 3 372.425 2.296 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000041644469 540028514 /nfs/dbraw/zinc/02/85/14/540028514.db2.gz NLKVWKDAHZVULP-QWHCGFSZSA-N 0 3 362.430 2.221 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341504 540098156 /nfs/dbraw/zinc/09/81/56/540098156.db2.gz LUCQYUNSILLEJC-LBPRGKRZSA-N 0 3 369.853 2.396 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000048716973 540371289 /nfs/dbraw/zinc/37/12/89/540371289.db2.gz OKZOIIQMXHQTOR-AWEZNQCLSA-N 0 3 368.455 2.465 20 5 FEBDHN CN1CCN(Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000053237946 540519501 /nfs/dbraw/zinc/51/95/01/540519501.db2.gz OYSLPABKHPRPSL-UHFFFAOYSA-N 0 3 374.466 2.334 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)NC2CC2)CC1 ZINC000055913474 540686394 /nfs/dbraw/zinc/68/63/94/540686394.db2.gz QJUGWRONKAVINF-UHFFFAOYSA-N 0 3 374.441 2.222 20 5 FEBDHN COc1ccc(CSCC(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057710081 540811198 /nfs/dbraw/zinc/81/11/98/540811198.db2.gz BOLDSLPJMWROIZ-LBPRGKRZSA-N 0 3 367.471 2.436 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000109575185 209308819 /nfs/dbraw/zinc/30/88/19/209308819.db2.gz IGTRVSWGNFXPLQ-AWEZNQCLSA-N 0 3 353.444 2.152 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000063850924 541189548 /nfs/dbraw/zinc/18/95/48/541189548.db2.gz IDYHZKFDWBJCDI-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CC[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000063768778 541184537 /nfs/dbraw/zinc/18/45/37/541184537.db2.gz GMJCJGUSYQGPAQ-KRWDZBQOSA-N 0 3 371.441 2.135 20 5 FEBDHN CCc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000065769785 541260009 /nfs/dbraw/zinc/26/00/09/541260009.db2.gz KFCXQLFNBGFRBW-KRWDZBQOSA-N 0 3 359.430 2.163 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1cccs1)N1CCCC1 ZINC000065770884 541260054 /nfs/dbraw/zinc/26/00/54/541260054.db2.gz UHOSKYLCTDMAOD-CQSZACIVSA-N 0 3 363.443 2.196 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000065842368 541265293 /nfs/dbraw/zinc/26/52/93/541265293.db2.gz UBWFVWRYDOSVKV-INIZCTEOSA-N 0 3 359.430 2.299 20 5 FEBDHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333517 541303446 /nfs/dbraw/zinc/30/34/46/541303446.db2.gz FLGYKSSMOQBTJY-VXGBXAGGSA-N 0 3 361.489 2.303 20 5 FEBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000069149025 541662672 /nfs/dbraw/zinc/66/26/72/541662672.db2.gz NYIAWQZTMADINA-MRXNPFEDSA-N 0 3 362.430 2.243 20 5 FEBDHN Cc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000072066864 541782618 /nfs/dbraw/zinc/78/26/18/541782618.db2.gz QYFPVRWKYPBSJD-UHFFFAOYSA-N 0 3 365.430 2.249 20 5 FEBDHN CNC(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665160 541847708 /nfs/dbraw/zinc/84/77/08/541847708.db2.gz OYRPHRKGMAEZNN-HNNXBMFYSA-N 0 3 355.398 2.036 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000073997209 542024032 /nfs/dbraw/zinc/02/40/32/542024032.db2.gz FYRNGHUFYBMLGY-OLZOCXBDSA-N 0 3 362.386 2.429 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(CO)Cc2ccccc2C1 ZINC000074326625 542070819 /nfs/dbraw/zinc/07/08/19/542070819.db2.gz OVXBNAOAHHLQBI-UHFFFAOYSA-N 0 3 369.421 2.351 20 5 FEBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079806088 542543384 /nfs/dbraw/zinc/54/33/84/542543384.db2.gz ICOZJDBHUMTEPZ-SNVBAGLBSA-N 0 3 356.220 2.381 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000080162201 542570319 /nfs/dbraw/zinc/57/03/19/542570319.db2.gz TUGTWBUBLBOILJ-CQSZACIVSA-N 0 3 364.446 2.374 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000080162206 542570692 /nfs/dbraw/zinc/57/06/92/542570692.db2.gz TUGTWBUBLBOILJ-AWEZNQCLSA-N 0 3 364.446 2.374 20 5 FEBDHN COc1ccc(CNC[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000098144626 543023674 /nfs/dbraw/zinc/02/36/74/543023674.db2.gz RKVGUUAITSBOOX-GOSISDBHSA-N 0 3 371.437 2.112 20 5 FEBDHN O=C(CCN1CCC[C@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000111294284 543394028 /nfs/dbraw/zinc/39/40/28/543394028.db2.gz QFSUOAOROIFOIZ-AWEZNQCLSA-N 0 3 360.414 2.010 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000113197812 543476888 /nfs/dbraw/zinc/47/68/88/543476888.db2.gz LDQQSNKRBYMXCO-CQSZACIVSA-N 0 3 365.430 2.363 20 5 FEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000115442035 543567616 /nfs/dbraw/zinc/56/76/16/543567616.db2.gz CFVFEHJHDWZEKO-GFCCVEGCSA-N 0 3 351.403 2.026 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCCN(C)C ZINC000122838177 543726663 /nfs/dbraw/zinc/72/66/63/543726663.db2.gz UMMFAZPHLBXTTE-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN O=C1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000125374321 543877709 /nfs/dbraw/zinc/87/77/09/543877709.db2.gz FIDNUDWDQSEAPU-KDOFPFPSSA-N 0 3 359.426 2.449 20 5 FEBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000126506664 543940504 /nfs/dbraw/zinc/94/05/04/543940504.db2.gz QPADHVOLYMOMMS-UHFFFAOYSA-N 0 3 361.427 2.162 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000130331674 544146861 /nfs/dbraw/zinc/14/68/61/544146861.db2.gz CNBFWARDJWZUBY-UHFFFAOYSA-N 0 3 371.441 2.143 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(c2ccc(F)cc2)CC1 ZINC000131289258 544184056 /nfs/dbraw/zinc/18/40/56/544184056.db2.gz AYYZCRCCXIBHFM-UHFFFAOYSA-N 0 3 360.389 2.108 20 5 FEBDHN C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133711503 544280546 /nfs/dbraw/zinc/28/05/46/544280546.db2.gz JQBXDTVAVVPRBH-MRXNPFEDSA-N 0 3 370.457 2.248 20 5 FEBDHN CS(=O)(=O)N1CCC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153265788 544754312 /nfs/dbraw/zinc/75/43/12/544754312.db2.gz UUJMJNBWPIVHSY-HNNXBMFYSA-N 0 3 367.471 2.231 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154954974 544970751 /nfs/dbraw/zinc/97/07/51/544970751.db2.gz AJEMKWJNKYFLKM-OAHLLOKOSA-N 0 3 355.460 2.231 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178949513 327618254 /nfs/dbraw/zinc/61/82/54/327618254.db2.gz HSOKIMKNMWZHJF-UHFFFAOYSA-N 0 3 369.487 2.179 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187186834 328007664 /nfs/dbraw/zinc/00/76/64/328007664.db2.gz JXFYKGKEDHQBIA-UGSOOPFHSA-N 0 3 359.430 2.297 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000188209475 328073510 /nfs/dbraw/zinc/07/35/10/328073510.db2.gz ANFJUWGVVATUIB-INIZCTEOSA-N 0 3 357.476 2.381 20 5 FEBDHN COc1cc(C(=O)NCc2ccc3c(c2)CNC3)c([N+](=O)[O-])cc1OC ZINC000188666608 328103000 /nfs/dbraw/zinc/10/30/00/328103000.db2.gz HFAMWYAGKRNMFI-UHFFFAOYSA-N 0 3 357.366 2.145 20 5 FEBDHN O=C(NCc1ccc2c(c1)CNC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000188673339 328103346 /nfs/dbraw/zinc/10/33/46/328103346.db2.gz RNHXFAJJVHJOTO-UHFFFAOYSA-N 0 3 363.377 2.314 20 5 FEBDHN CCCN(C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893748 328174353 /nfs/dbraw/zinc/17/43/53/328174353.db2.gz NHOKVMOTCWZDIG-ZDUSSCGKSA-N 0 3 355.460 2.166 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000191816617 328283477 /nfs/dbraw/zinc/28/34/77/328283477.db2.gz PKPONNMXUMEPSJ-AAEUAGOBSA-N 0 3 367.377 2.194 20 5 FEBDHN C[C@@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000192822513 328341495 /nfs/dbraw/zinc/34/14/95/328341495.db2.gz ANLXBUBTRLRTAK-HUUCEWRRSA-N 0 3 374.441 2.179 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000193283372 328366828 /nfs/dbraw/zinc/36/68/28/328366828.db2.gz BSXDWJOEAOFMLM-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN CC(C)(C)[NH+]1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193917371 328401812 /nfs/dbraw/zinc/40/18/12/328401812.db2.gz BZEGRGNOZQPRNY-UHFFFAOYSA-N 0 3 359.423 2.275 20 5 FEBDHN COCCCN(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080485853 325132550 /nfs/dbraw/zinc/13/25/50/325132550.db2.gz PZACJQHZDGRIQV-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000085635819 325256869 /nfs/dbraw/zinc/25/68/69/325256869.db2.gz DESWTWSHPQJTGF-CYBMUJFWSA-N 0 3 363.462 2.217 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120074106 326227606 /nfs/dbraw/zinc/22/76/06/326227606.db2.gz WIHHHAQWLMASHY-YOEHRIQHSA-N 0 3 371.441 2.127 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1CCN(CCO)CC1 ZINC000120321075 326249451 /nfs/dbraw/zinc/24/94/51/326249451.db2.gz LLWFHAAKCAZZRH-UHFFFAOYSA-N 0 3 350.419 2.037 20 5 FEBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000120620402 326273696 /nfs/dbraw/zinc/27/36/96/326273696.db2.gz HOEZBQXBOORBNA-KRWDZBQOSA-N 0 3 369.487 2.385 20 5 FEBDHN CCOc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120701202 326280134 /nfs/dbraw/zinc/28/01/34/326280134.db2.gz KYOOBARLLNHGKB-GXTWGEPZSA-N 0 3 365.430 2.414 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000120724775 326282696 /nfs/dbraw/zinc/28/26/96/326282696.db2.gz ZYZUKISSEVZGQE-MNOVXSKESA-N 0 3 368.821 2.128 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000120901590 326297598 /nfs/dbraw/zinc/29/75/98/326297598.db2.gz PBHONBJCHGWFAV-BLLLJJGKSA-N 0 3 363.414 2.184 20 5 FEBDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121679786 326357825 /nfs/dbraw/zinc/35/78/25/326357825.db2.gz FMJOVBBTMTUKIO-UHFFFAOYSA-N 0 3 364.446 2.422 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000127555107 326508620 /nfs/dbraw/zinc/50/86/20/326508620.db2.gz SYIJHCWQKKUYGT-OAHLLOKOSA-N 0 3 364.446 2.426 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000155325194 326784759 /nfs/dbraw/zinc/78/47/59/326784759.db2.gz SDHKNARVLJXNNK-UHFFFAOYSA-N 0 3 366.487 2.026 20 5 FEBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000171453457 327140350 /nfs/dbraw/zinc/14/03/50/327140350.db2.gz VHVAFDDQQHIWHN-INIZCTEOSA-N 0 3 355.398 2.091 20 5 FEBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172247520 327190058 /nfs/dbraw/zinc/19/00/58/327190058.db2.gz MOCXAEKSTOCQPN-AWEZNQCLSA-N 0 3 357.414 2.133 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000173203109 327240833 /nfs/dbraw/zinc/24/08/33/327240833.db2.gz XHYKZBKIEZJUFS-HIFRSBDPSA-N 0 3 371.397 2.173 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173259874 327244917 /nfs/dbraw/zinc/24/49/17/327244917.db2.gz IPIGHEZTMUJLDO-CZUORRHYSA-N 0 3 355.460 2.087 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173830934 327287489 /nfs/dbraw/zinc/28/74/89/327287489.db2.gz BVRABYTUQSHBEA-DZGCQCFKSA-N 0 3 353.444 2.151 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173830107 327287524 /nfs/dbraw/zinc/28/75/24/327287524.db2.gz LGKKFYTUJMGATM-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000173847310 327288535 /nfs/dbraw/zinc/28/85/35/327288535.db2.gz HYGSACCYVOMJKF-GXTWGEPZSA-N 0 3 371.434 2.370 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174370508 327322805 /nfs/dbraw/zinc/32/28/05/327322805.db2.gz KSSHPORYZQSPKQ-QGZVFWFLSA-N 0 3 361.446 2.229 20 5 FEBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175281377 327384395 /nfs/dbraw/zinc/38/43/95/327384395.db2.gz MZZFGEMKEWTIPU-QGZVFWFLSA-N 0 3 371.441 2.162 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255883600 328802697 /nfs/dbraw/zinc/80/26/97/328802697.db2.gz OIPYUGOSVRKJKT-CLFYSBASSA-N 0 3 360.458 2.094 20 5 FEBDHN Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000261857344 328824937 /nfs/dbraw/zinc/82/49/37/328824937.db2.gz QSSDNJWXVJUGAL-JKSUJKDBSA-N 0 3 361.423 2.019 20 5 FEBDHN O=C(CN1CC[C@@H](N2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264554025 329035077 /nfs/dbraw/zinc/03/50/77/329035077.db2.gz DFQHKARMZJWEND-QGZVFWFLSA-N 0 3 358.442 2.044 20 5 FEBDHN CC(C)C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000265113446 329092212 /nfs/dbraw/zinc/09/22/12/329092212.db2.gz LHHXOJFEKRLWSU-GFCCVEGCSA-N 0 3 351.403 2.072 20 5 FEBDHN CCN1CCN(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265741455 329155708 /nfs/dbraw/zinc/15/57/08/329155708.db2.gz BWVJZXAQQKOTQH-UHFFFAOYSA-N 0 3 362.474 2.016 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000265935029 329174246 /nfs/dbraw/zinc/17/42/46/329174246.db2.gz QZSUQRDMDQERMW-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN COCCCN(C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000266743489 329255181 /nfs/dbraw/zinc/25/51/81/329255181.db2.gz FSULASNBAJGLAN-UHFFFAOYSA-N 0 3 366.462 2.483 20 5 FEBDHN CC[C@H](NC(=O)NCCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000267297178 329311782 /nfs/dbraw/zinc/31/17/82/329311782.db2.gz DXHCIHLTDLUADA-INIZCTEOSA-N 0 3 352.435 2.313 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267303292 329312597 /nfs/dbraw/zinc/31/25/97/329312597.db2.gz LZHFWEOLCSOVRE-QGZVFWFLSA-N 0 3 351.472 2.426 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272346421 329772369 /nfs/dbraw/zinc/77/23/69/329772369.db2.gz CKOWBOYMTQROJA-ZDUSSCGKSA-N 0 3 355.460 2.254 20 5 FEBDHN CN(C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000272586114 329794196 /nfs/dbraw/zinc/79/41/96/329794196.db2.gz FMFBTXCHJYATEA-UHFFFAOYSA-N 0 3 354.410 2.006 20 5 FEBDHN CC(C)N1CCC(N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272973821 329827360 /nfs/dbraw/zinc/82/73/60/329827360.db2.gz CAXQBAVZKOGWHX-UHFFFAOYSA-N 0 3 369.487 2.173 20 5 FEBDHN CS[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274706434 329972747 /nfs/dbraw/zinc/97/27/47/329972747.db2.gz WJCXWNQQEAIMQR-WDEREUQCSA-N 0 3 353.473 2.320 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000275782833 330088425 /nfs/dbraw/zinc/08/84/25/330088425.db2.gz JSOOWYUDRDUURH-ZDUSSCGKSA-N 0 3 368.865 2.312 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000275822134 330093258 /nfs/dbraw/zinc/09/32/58/330093258.db2.gz WZWDVHQVDGHGGK-OAHLLOKOSA-N 0 3 354.432 2.162 20 5 FEBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827026 330093521 /nfs/dbraw/zinc/09/35/21/330093521.db2.gz SUVPNAWIVGXCFQ-BBRMVZONSA-N 0 3 355.822 2.397 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000478302923 561163897 /nfs/dbraw/zinc/16/38/97/561163897.db2.gz MPBAOFQXACCRBK-IBGZPJMESA-N 0 3 359.401 2.461 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478493703 561168349 /nfs/dbraw/zinc/16/83/49/561168349.db2.gz PZRXOAHRPYOWDZ-UHFFFAOYSA-N 0 3 374.372 2.029 20 5 FEBDHN Cc1cc(OCC(=O)NC2CCN(C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000478893816 561177256 /nfs/dbraw/zinc/17/72/56/561177256.db2.gz BXNIOHHVDHACEL-UHFFFAOYSA-N 0 3 351.378 2.164 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172234678 546242715 /nfs/dbraw/zinc/24/27/15/546242715.db2.gz XJZOMTLKFKUSRF-CQSZACIVSA-N 0 3 357.414 2.194 20 5 FEBDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176068270 546402062 /nfs/dbraw/zinc/40/20/62/546402062.db2.gz ZECDAKGKDITZNS-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000176279928 546426817 /nfs/dbraw/zinc/42/68/17/546426817.db2.gz UNONJOQEIVEZIF-UHFFFAOYSA-N 0 3 364.446 2.283 20 5 FEBDHN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000480461478 561209814 /nfs/dbraw/zinc/20/98/14/561209814.db2.gz PYXTVNQDVLSXLD-LBPRGKRZSA-N 0 3 357.414 2.454 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177036974 546529293 /nfs/dbraw/zinc/52/92/93/546529293.db2.gz JGVCBHQSYMMFDK-TZMCWYRMSA-N 0 3 355.398 2.136 20 5 FEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCOCC4CC4)CC3)nc2c1 ZINC000481199135 561227688 /nfs/dbraw/zinc/22/76/88/561227688.db2.gz ORFMINHMEZHTJF-UHFFFAOYSA-N 0 3 359.430 2.410 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178947994 546878838 /nfs/dbraw/zinc/87/88/38/546878838.db2.gz BWQAXATZVGYUAJ-UHFFFAOYSA-N 0 3 369.487 2.273 20 5 FEBDHN COc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C(C)C)cc1 ZINC000179930354 547030193 /nfs/dbraw/zinc/03/01/93/547030193.db2.gz GPNJWYALGOONKN-QGZVFWFLSA-N 0 3 362.430 2.319 20 5 FEBDHN CCO[C@@H]1C[C@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482515972 561255404 /nfs/dbraw/zinc/25/54/04/561255404.db2.gz BAQVZWIJHIFXLA-RMIITELYSA-N 0 3 351.403 2.094 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)N2CCCC2)cc1 ZINC000180553751 547129212 /nfs/dbraw/zinc/12/92/12/547129212.db2.gz RKIDZCRQBLKCNB-KRWDZBQOSA-N 0 3 369.425 2.447 20 5 FEBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000180617431 547144000 /nfs/dbraw/zinc/14/40/00/547144000.db2.gz BOGJINGCBNZDGF-HNNXBMFYSA-N 0 3 359.382 2.269 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181512303 547326674 /nfs/dbraw/zinc/32/66/74/547326674.db2.gz FUNQWDVHKNUCBM-HNNXBMFYSA-N 0 3 365.430 2.463 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000483400462 561276114 /nfs/dbraw/zinc/27/61/14/561276114.db2.gz CGRRYWKYDPADSF-HOTGVXAUSA-N 0 3 367.446 2.315 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000183294775 547634358 /nfs/dbraw/zinc/63/43/58/547634358.db2.gz SLFZBIPZVSEMMO-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183421831 547655010 /nfs/dbraw/zinc/65/50/10/547655010.db2.gz ZBFFERCFLABCGM-OAHLLOKOSA-N 0 3 369.487 2.321 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000184287912 547800394 /nfs/dbraw/zinc/80/03/94/547800394.db2.gz GDZOPZOLYKBFLN-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000184587318 547850436 /nfs/dbraw/zinc/85/04/36/547850436.db2.gz QWQKHLGHDCMMON-OAHLLOKOSA-N 0 3 367.471 2.232 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000186780434 548191054 /nfs/dbraw/zinc/19/10/54/548191054.db2.gz TUAVIPUMZOGKRK-HNNXBMFYSA-N 0 3 369.487 2.321 20 5 FEBDHN CC(C)[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000487957385 561379735 /nfs/dbraw/zinc/37/97/35/561379735.db2.gz XEGVIFFWPUYOAU-MRXNPFEDSA-N 0 3 362.430 2.165 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000245546822 548944667 /nfs/dbraw/zinc/94/46/67/548944667.db2.gz WTCJZBAIHSMYPP-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246218181 549081720 /nfs/dbraw/zinc/08/17/20/549081720.db2.gz PTMOWNADTUXOSL-GXFFZTMASA-N 0 3 361.851 2.209 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246229236 549084961 /nfs/dbraw/zinc/08/49/61/549084961.db2.gz FRMUDUOCDKNRQB-ZBFHGGJFSA-N 0 3 357.414 2.046 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488983873 561401054 /nfs/dbraw/zinc/40/10/54/561401054.db2.gz PUJIPVSMJBNOBT-AWEZNQCLSA-N 0 3 364.446 2.240 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247167425 549294033 /nfs/dbraw/zinc/29/40/33/549294033.db2.gz UMQKGQJPBNHWNV-GOEBONIOSA-N 0 3 367.471 2.262 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248433365 549435788 /nfs/dbraw/zinc/43/57/88/549435788.db2.gz XFOXNBZCJOGMFC-ZFWWWQNUSA-N 0 3 355.460 2.087 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000248750480 549495901 /nfs/dbraw/zinc/49/59/01/549495901.db2.gz UEOKFGGWHNJVHS-SUMWQHHRSA-N 0 3 365.455 2.232 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000249188953 549567531 /nfs/dbraw/zinc/56/75/31/549567531.db2.gz OWCQQJWPRGSMBM-CABCVRRESA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@H]1c1cccnc1 ZINC000261732132 549748516 /nfs/dbraw/zinc/74/85/16/549748516.db2.gz MBCLDSYNPVGUHS-SFHVURJKSA-N 0 3 369.425 2.273 20 5 FEBDHN O=C(Nc1ccc2c(c1F)CCNC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261774170 549754164 /nfs/dbraw/zinc/75/41/64/549754164.db2.gz RPMPUWBWDLHTEQ-UHFFFAOYSA-N 0 3 373.340 2.403 20 5 FEBDHN N[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1c1ccccc1 ZINC000261880164 549766008 /nfs/dbraw/zinc/76/60/08/549766008.db2.gz YJCNPGJUBFFCIR-IPMKNSEASA-N 0 3 366.421 2.127 20 5 FEBDHN COCCN(C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264153746 549985768 /nfs/dbraw/zinc/98/57/68/549985768.db2.gz ZSDFOQMKINVLRW-UHFFFAOYSA-N 0 3 366.462 2.483 20 5 FEBDHN COc1cc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781066 561452642 /nfs/dbraw/zinc/45/26/42/561452642.db2.gz ACFOLVFGCAZDTC-RDJZCZTQSA-N 0 3 362.474 2.061 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707304 561457740 /nfs/dbraw/zinc/45/77/40/561457740.db2.gz NERQXIOQJPQNTI-NVXWUHKLSA-N 0 3 351.403 2.073 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708182 561457799 /nfs/dbraw/zinc/45/77/99/561457799.db2.gz OZXREGGBLFALQE-KCTSRDHCSA-N 0 3 351.403 2.071 20 5 FEBDHN C[C@@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674545 550394185 /nfs/dbraw/zinc/39/41/85/550394185.db2.gz ITQGYSQJIVANAM-MLGOLLRUSA-N 0 3 352.460 2.392 20 5 FEBDHN CS[C@@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271683846 550395007 /nfs/dbraw/zinc/39/50/07/550395007.db2.gz ZOAVMGVPYFKMLR-HZPDHXFCSA-N 0 3 366.487 2.215 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1OC ZINC000272627944 550461567 /nfs/dbraw/zinc/46/15/67/550461567.db2.gz BCGSYFDWAKAYBZ-LBPRGKRZSA-N 0 3 363.414 2.382 20 5 FEBDHN COc1cc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000273407423 550497392 /nfs/dbraw/zinc/49/73/92/550497392.db2.gz XDWZOHDFJIBHSN-AWEZNQCLSA-N 0 3 362.382 2.181 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274847390 550558960 /nfs/dbraw/zinc/55/89/60/550558960.db2.gz AICDPGJTOPLUIS-VXGBXAGGSA-N 0 3 367.475 2.093 20 5 FEBDHN C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N(C)C ZINC000277181521 550640628 /nfs/dbraw/zinc/64/06/28/550640628.db2.gz VMZRRJQSEATYLP-JTQLQIEISA-N 0 3 351.794 2.156 20 5 FEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277420211 550668510 /nfs/dbraw/zinc/66/85/10/550668510.db2.gz CULHWVPVPZUIGM-CYBMUJFWSA-N 0 3 361.398 2.113 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000277445490 550671517 /nfs/dbraw/zinc/67/15/17/550671517.db2.gz HBKHWRLFMNNOSN-ZDUSSCGKSA-N 0 3 360.414 2.307 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(c2ccnn2C)C1 ZINC000278550261 550798173 /nfs/dbraw/zinc/79/81/73/550798173.db2.gz YXHAGTLZFCUEDN-OAHLLOKOSA-N 0 3 359.430 2.486 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278827873 550826490 /nfs/dbraw/zinc/82/64/90/550826490.db2.gz UQXXSTHEGJCMLO-CYBMUJFWSA-N 0 3 374.441 2.169 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000279854440 550936064 /nfs/dbraw/zinc/93/60/64/550936064.db2.gz PFCOWLZGQDPSMH-BMIGLBTASA-N 0 3 355.797 2.482 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281400535 551092451 /nfs/dbraw/zinc/09/24/51/551092451.db2.gz NMLLCYXWNKUING-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN Cn1c(C(=O)NC2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000497881780 561510648 /nfs/dbraw/zinc/51/06/48/561510648.db2.gz UGDPLADKCNPJLQ-UHFFFAOYSA-N 0 3 356.426 2.370 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284201464 551503081 /nfs/dbraw/zinc/50/30/81/551503081.db2.gz SMSUIXXQLDDESF-CYBMUJFWSA-N 0 3 364.402 2.188 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000284448583 551551174 /nfs/dbraw/zinc/55/11/74/551551174.db2.gz QTTFJNNGLBEKDY-LSDHHAIUSA-N 0 3 353.444 2.111 20 5 FEBDHN Cn1nccc1[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CCC(=O)N1C1CC1 ZINC000284513528 551566683 /nfs/dbraw/zinc/56/66/83/551566683.db2.gz LHYKPXKSDVITSD-VQIMIIECSA-N 0 3 369.425 2.313 20 5 FEBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000286256454 551866467 /nfs/dbraw/zinc/86/64/67/551866467.db2.gz VJURIPYYCZJHCA-HNNXBMFYSA-N 0 3 358.398 2.218 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286565350 551900542 /nfs/dbraw/zinc/90/05/42/551900542.db2.gz DOKICWRGPWQRDP-UKRRQHHQSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000286738555 551920770 /nfs/dbraw/zinc/92/07/70/551920770.db2.gz OJBQXNHTWXJXOV-GXTWGEPZSA-N 0 3 371.434 2.290 20 5 FEBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000499424257 561550668 /nfs/dbraw/zinc/55/06/68/561550668.db2.gz ABAFFCATBFOTPC-UHFFFAOYSA-N 0 3 357.414 2.317 20 5 FEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289385212 552312478 /nfs/dbraw/zinc/31/24/78/552312478.db2.gz LSZOGTSWCYBJRC-SFHVURJKSA-N 0 3 367.446 2.345 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000289937841 552402574 /nfs/dbraw/zinc/40/25/74/552402574.db2.gz WUQVMWRDVMJBPU-CQSZACIVSA-N 0 3 363.462 2.162 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931957 561586119 /nfs/dbraw/zinc/58/61/19/561586119.db2.gz WUPZGHAVWXOGSV-HUUCEWRRSA-N 0 3 369.487 2.320 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCNC2=O)cc1 ZINC000291345147 552616990 /nfs/dbraw/zinc/61/69/90/552616990.db2.gz XEYMPJPYRBAGBD-ZDUSSCGKSA-N 0 3 358.402 2.062 20 5 FEBDHN CC(C)N1CCN(CCCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000291733827 552655843 /nfs/dbraw/zinc/65/58/43/552655843.db2.gz XZYCRUDGQQQSEZ-UHFFFAOYSA-N 0 3 358.442 2.326 20 5 FEBDHN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653513 552844304 /nfs/dbraw/zinc/84/43/04/552844304.db2.gz ISAXOMJFKFLRPR-ZDUSSCGKSA-N 0 3 372.425 2.495 20 5 FEBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293668277 552845365 /nfs/dbraw/zinc/84/53/65/552845365.db2.gz KCGYGENWZOJKHY-GFCCVEGCSA-N 0 3 362.386 2.449 20 5 FEBDHN COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c([N+](=O)[O-])cc1F ZINC000294929860 552945166 /nfs/dbraw/zinc/94/51/66/552945166.db2.gz KWHBPJMDFMCXDS-YOGCLGLASA-N 0 3 351.378 2.488 20 5 FEBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295747597 553053922 /nfs/dbraw/zinc/05/39/22/553053922.db2.gz XBUQPLIISNFWGY-LSDHHAIUSA-N 0 3 355.394 2.255 20 5 FEBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284043 553273472 /nfs/dbraw/zinc/27/34/72/553273472.db2.gz LLPYITUPLLMTMF-ZBFHGGJFSA-N 0 3 351.447 2.491 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000297326013 553278563 /nfs/dbraw/zinc/27/85/63/553278563.db2.gz HKWFWDRSMFLKIT-AWEZNQCLSA-N 0 3 350.419 2.126 20 5 FEBDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)N(C)C ZINC000298104477 553384634 /nfs/dbraw/zinc/38/46/34/553384634.db2.gz LRHDIIYJSQYSDR-INIZCTEOSA-N 0 3 364.446 2.324 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000299699442 553602331 /nfs/dbraw/zinc/60/23/31/553602331.db2.gz OTJDOBHBLPOWBM-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN C[C@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000299734490 553610105 /nfs/dbraw/zinc/61/01/05/553610105.db2.gz ZPWNGSMDCGZWIZ-VIFPVBQESA-N 0 3 362.308 2.024 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523675 553657942 /nfs/dbraw/zinc/65/79/42/553657942.db2.gz GUFHHHZKJGIMTA-ZFWWWQNUSA-N 0 3 371.441 2.336 20 5 FEBDHN COc1cc(N2CCCN(C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301629515 553667235 /nfs/dbraw/zinc/66/72/35/553667235.db2.gz ICYDTEOVIHAPSV-UHFFFAOYSA-N 0 3 353.394 2.434 20 5 FEBDHN CN(C)CCN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301667487 553669931 /nfs/dbraw/zinc/66/99/31/553669931.db2.gz CSSZNUVAQVJZBN-UHFFFAOYSA-N 0 3 372.267 2.190 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(CN3CCCC3)CC2)s1 ZINC000301930556 553692728 /nfs/dbraw/zinc/69/27/28/553692728.db2.gz KTQQASABKMCYTB-UHFFFAOYSA-N 0 3 373.500 2.372 20 5 FEBDHN CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000302021752 553698353 /nfs/dbraw/zinc/69/83/53/553698353.db2.gz OHGKLTZROZQUJE-OAHLLOKOSA-N 0 3 356.430 2.458 20 5 FEBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976192 553762817 /nfs/dbraw/zinc/76/28/17/553762817.db2.gz FLYZUXAHQTVOSJ-ZJUUUORDSA-N 0 3 369.219 2.061 20 5 FEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCNC(=O)c1ccn[nH]1 ZINC000507396449 561728336 /nfs/dbraw/zinc/72/83/36/561728336.db2.gz CKHPSVRHJSURBG-LBPRGKRZSA-N 0 3 363.443 2.208 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000330665127 554153343 /nfs/dbraw/zinc/15/33/43/554153343.db2.gz VFBXDKVMUZGPGL-KBPBESRZSA-N 0 3 357.863 2.295 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000331013575 554201383 /nfs/dbraw/zinc/20/13/83/554201383.db2.gz WQGKVAPCILGKPP-CYBMUJFWSA-N 0 3 357.476 2.466 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1N1CCCC1 ZINC000331922150 554346807 /nfs/dbraw/zinc/34/68/07/554346807.db2.gz JSHWHWUUGDHTOD-SJORKVTESA-N 0 3 363.483 2.484 20 5 FEBDHN CC1(C)C[C@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021951 554365314 /nfs/dbraw/zinc/36/53/14/554365314.db2.gz RCCSOYLWEISQLW-WBMJQRKESA-N 0 3 367.471 2.331 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000332079937 554375630 /nfs/dbraw/zinc/37/56/30/554375630.db2.gz IYFIMZXHJKFFAT-HOCLYGCPSA-N 0 3 367.471 2.459 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332246677 554409139 /nfs/dbraw/zinc/40/91/39/554409139.db2.gz ATUWWGUHSOSBHT-NEPJUHHUSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332246677 554409143 /nfs/dbraw/zinc/40/91/43/554409143.db2.gz ATUWWGUHSOSBHT-NEPJUHHUSA-N 0 3 359.835 2.153 20 5 FEBDHN Cc1c(NC(=O)N2CCCNCC2)cc(Br)cc1[N+](=O)[O-] ZINC000332252874 554410562 /nfs/dbraw/zinc/41/05/62/554410562.db2.gz CQBBZPFUCWPNPF-UHFFFAOYSA-N 0 3 357.208 2.493 20 5 FEBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@@H](C)O1 ZINC000332461712 554450208 /nfs/dbraw/zinc/45/02/08/554450208.db2.gz JLWIYNRKAQEHFB-ZIAGYGMSSA-N 0 3 364.446 2.274 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)c1 ZINC000332571423 554474234 /nfs/dbraw/zinc/47/42/34/554474234.db2.gz ZBYGKKMMXZOVAH-UHFFFAOYSA-N 0 3 367.471 2.375 20 5 FEBDHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023437 554859775 /nfs/dbraw/zinc/85/97/75/554859775.db2.gz RORQPOSBLPDZBF-BDJLRTHQSA-N 0 3 366.805 2.058 20 5 FEBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511491547 561870834 /nfs/dbraw/zinc/87/08/34/561870834.db2.gz GOKFKUQLECLAIK-NDOICKTLSA-N 0 3 361.442 2.471 20 5 FEBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000362665790 554979236 /nfs/dbraw/zinc/97/92/36/554979236.db2.gz MEYBTHAGNBSGGX-CYBMUJFWSA-N 0 3 357.414 2.284 20 5 FEBDHN COc1ccc(OCCN2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363042831 555017295 /nfs/dbraw/zinc/01/72/95/555017295.db2.gz QCKSTRGQMRVYMV-CQSZACIVSA-N 0 3 360.414 2.280 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1C ZINC000363079470 555025691 /nfs/dbraw/zinc/02/56/91/555025691.db2.gz ZUSIVBDWMJYAPC-CQSZACIVSA-N 0 3 353.444 2.070 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000363536001 555130661 /nfs/dbraw/zinc/13/06/61/555130661.db2.gz XOFFTWPUKLWLSR-UHFFFAOYSA-N 0 3 372.473 2.068 20 5 FEBDHN Cc1cc(NC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000363829075 555194665 /nfs/dbraw/zinc/19/46/65/555194665.db2.gz SSBGEYRALAGTEH-JKSUJKDBSA-N 0 3 362.430 2.356 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000363975649 555225532 /nfs/dbraw/zinc/22/55/32/555225532.db2.gz QALIYMMYXYUEPC-INIZCTEOSA-N 0 3 367.471 2.375 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000364064030 555243409 /nfs/dbraw/zinc/24/34/09/555243409.db2.gz OYBRDPFCQAWKFW-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN CCC[C@@]1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000512869146 561918304 /nfs/dbraw/zinc/91/83/04/561918304.db2.gz ODEKWZHSBRWQDF-QGZVFWFLSA-N 0 3 352.387 2.195 20 5 FEBDHN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[n-]3)c2)C[C@H](C)O1 ZINC000513377696 561936093 /nfs/dbraw/zinc/93/60/93/561936093.db2.gz VYFQPHKUDUPEGF-TXEJJXNPSA-N 0 3 359.386 2.179 20 5 FEBDHN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[n-]3)c2)C[C@H](C)O1 ZINC000513377696 561936094 /nfs/dbraw/zinc/93/60/94/561936094.db2.gz VYFQPHKUDUPEGF-TXEJJXNPSA-N 0 3 359.386 2.179 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000366197523 555778569 /nfs/dbraw/zinc/77/85/69/555778569.db2.gz SROHAPHJRSFITM-CYBMUJFWSA-N 0 3 365.455 2.300 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000366200926 555779979 /nfs/dbraw/zinc/77/99/79/555779979.db2.gz YYXLXYGJGILHGU-MRXNPFEDSA-N 0 3 374.441 2.152 20 5 FEBDHN COc1ccc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)cc1[N+](=O)[O-] ZINC000366352358 555819750 /nfs/dbraw/zinc/81/97/50/555819750.db2.gz YTNCVMOXKBRBME-KBPBESRZSA-N 0 3 361.377 2.100 20 5 FEBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@H]12 ZINC000366482909 555856809 /nfs/dbraw/zinc/85/68/09/555856809.db2.gz OQJWCRRHJNRSLE-LSDHHAIUSA-N 0 3 371.418 2.418 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000369156732 556520251 /nfs/dbraw/zinc/52/02/51/556520251.db2.gz PQUZUFKCPCPCRV-UHFFFAOYSA-N 0 3 366.487 2.289 20 5 FEBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229927 556542610 /nfs/dbraw/zinc/54/26/10/556542610.db2.gz UJCRFVJGPITGHD-AEFFLSMTSA-N 0 3 360.414 2.295 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369310871 556571395 /nfs/dbraw/zinc/57/13/95/556571395.db2.gz SVDGMMDNEMHLRE-UHFFFAOYSA-N 0 3 360.458 2.085 20 5 FEBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000369495698 556611500 /nfs/dbraw/zinc/61/15/00/556611500.db2.gz DIBIMEJGKSKPGF-HNNXBMFYSA-N 0 3 366.849 2.100 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000369998010 556753239 /nfs/dbraw/zinc/75/32/39/556753239.db2.gz QINOSOBEODCIMF-HNNXBMFYSA-N 0 3 371.441 2.223 20 5 FEBDHN Cc1sc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830756 556982853 /nfs/dbraw/zinc/98/28/53/556982853.db2.gz OZVCQDKXZKRGPB-AWEZNQCLSA-N 0 3 366.487 2.205 20 5 FEBDHN CN(C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000371283855 557131264 /nfs/dbraw/zinc/13/12/64/557131264.db2.gz MKARQVDJGBVHJM-KRWDZBQOSA-N 0 3 356.426 2.357 20 5 FEBDHN Cc1c(C(=O)Nc2cnccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000517651809 562094787 /nfs/dbraw/zinc/09/47/87/562094787.db2.gz AQYSOIGZWQFDNX-UHFFFAOYSA-N 0 3 355.398 2.302 20 5 FEBDHN CCCN1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000371551374 557219536 /nfs/dbraw/zinc/21/95/36/557219536.db2.gz FKGTYRNPRQOOMB-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1Cn1cccn1 ZINC000371689968 557263847 /nfs/dbraw/zinc/26/38/47/557263847.db2.gz UOJSFTWNJGZLEI-CVEARBPZSA-N 0 3 360.414 2.086 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000371963729 557341064 /nfs/dbraw/zinc/34/10/64/557341064.db2.gz XBWOCNGXKKAFCY-ZDUSSCGKSA-N 0 3 353.854 2.248 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000518607514 562115150 /nfs/dbraw/zinc/11/51/50/562115150.db2.gz DDGKBDQEAQULJK-JGGQBBKZSA-N 0 3 365.405 2.479 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519147155 562125828 /nfs/dbraw/zinc/12/58/28/562125828.db2.gz CPEOXRGGUJSDHV-ZDUSSCGKSA-N 0 3 355.822 2.431 20 5 FEBDHN Cc1c(NC(=O)N2CCCN(CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000372460457 557476715 /nfs/dbraw/zinc/47/67/15/557476715.db2.gz QHIHZKNTNUYKON-UHFFFAOYSA-N 0 3 350.419 2.214 20 5 FEBDHN CCc1ccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000372739702 557551562 /nfs/dbraw/zinc/55/15/62/557551562.db2.gz LFFZMTSQCNASLU-GOSISDBHSA-N 0 3 374.485 2.398 20 5 FEBDHN O=C(COc1ccc2c(c1)OCCNC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000519639510 562138193 /nfs/dbraw/zinc/13/81/93/562138193.db2.gz AERNFHHKIUQYOT-UHFFFAOYSA-N 0 3 369.377 2.045 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2N(C)C)c1[N+](=O)[O-] ZINC000373061759 557619459 /nfs/dbraw/zinc/61/94/59/557619459.db2.gz YCSOQBUQKIUFHZ-CABCVRRESA-N 0 3 357.414 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000374180331 557838936 /nfs/dbraw/zinc/83/89/36/557838936.db2.gz ZRNPLWJSJFHDPX-VIFPVBQESA-N 0 3 367.349 2.034 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000375062041 557972170 /nfs/dbraw/zinc/97/21/70/557972170.db2.gz RVZFWQPKNNNBOI-DNVCBOLYSA-N 0 3 372.469 2.364 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623731 558058278 /nfs/dbraw/zinc/05/82/78/558058278.db2.gz LBDUIYTUVZBSJW-HOCLYGCPSA-N 0 3 367.471 2.026 20 5 FEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C[C@@H]2CCCCN2C)CC1 ZINC000377149215 558276525 /nfs/dbraw/zinc/27/65/25/558276525.db2.gz KMYOJVLHWIRRDU-KRWDZBQOSA-N 0 3 360.458 2.404 20 5 FEBDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000377236931 558295856 /nfs/dbraw/zinc/29/58/56/558295856.db2.gz GVNFYMCAYGQEPZ-ZSOGYDGISA-N 0 3 365.434 2.311 20 5 FEBDHN O=C(c1cnn(CCN2CCCCC2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000377781532 558418682 /nfs/dbraw/zinc/41/86/82/558418682.db2.gz NJGZHDYZVFFVFM-UHFFFAOYSA-N 0 3 369.425 2.480 20 5 FEBDHN COc1ccc([C@@H]2[C@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCCN2C)cc1 ZINC000378306848 558525344 /nfs/dbraw/zinc/52/53/44/558525344.db2.gz AGFQXKIVIJOOPJ-SUMWQHHRSA-N 0 3 373.413 2.139 20 5 FEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C1CCN(C)CC1 ZINC000378344570 558534233 /nfs/dbraw/zinc/53/42/33/558534233.db2.gz AOYVDEJKRWWDAA-CQSZACIVSA-N 0 3 361.446 2.227 20 5 FEBDHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000397514640 558624374 /nfs/dbraw/zinc/62/43/74/558624374.db2.gz RHVMVBNQGHMFMR-UHFFFAOYSA-N 0 3 369.421 2.352 20 5 FEBDHN C[NH2+]Cc1ccccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000404607633 558632116 /nfs/dbraw/zinc/63/21/16/558632116.db2.gz MUIQAFJNDFVORI-UHFFFAOYSA-N 0 3 363.439 2.410 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@H](O)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067364 562223667 /nfs/dbraw/zinc/22/36/67/562223667.db2.gz MQWIYUXZSSLWKQ-SJCJKPOMSA-N 0 3 362.382 2.350 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000525291462 562245212 /nfs/dbraw/zinc/24/52/12/562245212.db2.gz HXOPUIKUYZGTNP-HNNXBMFYSA-N 0 3 360.458 2.269 20 5 FEBDHN COc1ccc(CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686539 562252111 /nfs/dbraw/zinc/25/21/11/562252111.db2.gz RQRPRQINTCDBNI-QGZVFWFLSA-N 0 3 362.474 2.204 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1F ZINC000412407677 559033518 /nfs/dbraw/zinc/03/35/18/559033518.db2.gz FKNYTQDBCPEJBU-GFCCVEGCSA-N 0 3 353.394 2.226 20 5 FEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1N(C)C ZINC000413199939 559087885 /nfs/dbraw/zinc/08/78/85/559087885.db2.gz DPRQLMZERVUFKF-GHMZBOCLSA-N 0 3 350.366 2.490 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161383 559151312 /nfs/dbraw/zinc/15/13/12/559151312.db2.gz BTRQLXNDAQTSJA-OHUAYANFSA-N 0 3 351.403 2.334 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H](OC)C1CC1 ZINC000414195536 559152514 /nfs/dbraw/zinc/15/25/14/559152514.db2.gz WTTOMIUEYKLDCA-OHUAYANFSA-N 0 3 351.403 2.334 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000416559859 559321745 /nfs/dbraw/zinc/32/17/45/559321745.db2.gz KTSUWKFPWADAFW-ZDUSSCGKSA-N 0 3 355.460 2.167 20 5 FEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000417930595 559382286 /nfs/dbraw/zinc/38/22/86/559382286.db2.gz BBNZQHMGEKPLBB-SFHVURJKSA-N 0 3 354.410 2.324 20 5 FEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000417930592 559382324 /nfs/dbraw/zinc/38/23/24/559382324.db2.gz BBNZQHMGEKPLBB-GOSISDBHSA-N 0 3 354.410 2.324 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420373289 559483630 /nfs/dbraw/zinc/48/36/30/559483630.db2.gz FYZBYQBHVPOBIB-QGZVFWFLSA-N 0 3 374.445 2.269 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000420450199 559487914 /nfs/dbraw/zinc/48/79/14/559487914.db2.gz OUWDNBQRHQBPDE-UHFFFAOYSA-N 0 3 367.349 2.034 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000420462010 559488827 /nfs/dbraw/zinc/48/88/27/559488827.db2.gz MITFVWZKKNLIAZ-OAHLLOKOSA-N 0 3 363.439 2.444 20 5 FEBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000422554881 559594759 /nfs/dbraw/zinc/59/47/59/559594759.db2.gz NPWRZDBDQXTSAP-UHFFFAOYSA-N 0 3 355.338 2.019 20 5 FEBDHN N[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039088 559616049 /nfs/dbraw/zinc/61/60/49/559616049.db2.gz PRSLKYAGAGKZMF-DLBZAZTESA-N 0 3 361.423 2.103 20 5 FEBDHN Cn1ccnc1[C@H](N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489415 559630116 /nfs/dbraw/zinc/63/01/16/559630116.db2.gz WLQJUHZBYJXOGE-ZIAGYGMSSA-N 0 3 351.357 2.005 20 5 FEBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000423994454 559649685 /nfs/dbraw/zinc/64/96/85/559649685.db2.gz SREWKWXERFTTHW-HNNXBMFYSA-N 0 3 356.382 2.057 20 5 FEBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CNC)c1 ZINC000428307624 559773280 /nfs/dbraw/zinc/77/32/80/559773280.db2.gz VSMKDMCOBPZIER-AWEZNQCLSA-N 0 3 360.418 2.185 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428560714 559778392 /nfs/dbraw/zinc/77/83/92/559778392.db2.gz CKLHJZCYGHIDKJ-AWEZNQCLSA-N 0 3 372.377 2.109 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000433861656 559889049 /nfs/dbraw/zinc/88/90/49/559889049.db2.gz DLQLLZNYZQGNHG-CQSZACIVSA-N 0 3 359.430 2.344 20 5 FEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000433940169 559890818 /nfs/dbraw/zinc/89/08/18/559890818.db2.gz JEUOXSJJSXUODV-KRWDZBQOSA-N 0 3 361.446 2.323 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000440074572 560004177 /nfs/dbraw/zinc/00/41/77/560004177.db2.gz HBPITQOFEWPZIA-QGZVFWFLSA-N 0 3 371.503 2.423 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000440420634 560010728 /nfs/dbraw/zinc/01/07/28/560010728.db2.gz NAMYVGFFAHCSMA-NSHDSACASA-N 0 3 365.411 2.102 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000441195949 560026157 /nfs/dbraw/zinc/02/61/57/560026157.db2.gz IPZRJEDHJZQMTF-ZFWWWQNUSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)CC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441212991 560026513 /nfs/dbraw/zinc/02/65/13/560026513.db2.gz UUANPSKBNQYJKC-UHFFFAOYSA-N 0 3 352.387 2.257 20 5 FEBDHN CCC1(O)CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000444171349 560103991 /nfs/dbraw/zinc/10/39/91/560103991.db2.gz XKSFXRJQVAMAIN-UHFFFAOYSA-N 0 3 351.403 2.169 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000444924694 560124819 /nfs/dbraw/zinc/12/48/19/560124819.db2.gz UDIFFBYNSIHCDW-AWEZNQCLSA-N 0 3 366.418 2.178 20 5 FEBDHN CCc1nn(C)c(OC)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589599 560164933 /nfs/dbraw/zinc/16/49/33/560164933.db2.gz YMENMVBREDUYDI-CABCVRRESA-N 0 3 362.434 2.369 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448925307 560207026 /nfs/dbraw/zinc/20/70/26/560207026.db2.gz NKSVHOZBHIYGCG-LLVKDONJSA-N 0 3 351.378 2.489 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450318320 560258422 /nfs/dbraw/zinc/25/84/22/560258422.db2.gz VULHQFWCNAVZNV-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000450747912 560272006 /nfs/dbraw/zinc/27/20/06/560272006.db2.gz RDDYIBLRFRPMGN-KRWDZBQOSA-N 0 3 360.458 2.365 20 5 FEBDHN C[C@@H]1CN(C2CC2)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451093178 560286577 /nfs/dbraw/zinc/28/65/77/560286577.db2.gz NFQXIBXNBKUBRZ-RDTXWAMCSA-N 0 3 358.442 2.116 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476450 560309304 /nfs/dbraw/zinc/30/93/04/560309304.db2.gz FUZWIVVTFHXFSG-VUCTXSBTSA-N 0 3 363.414 2.335 20 5 FEBDHN O=C1[C@H](N[C@H]([C@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606514 560317164 /nfs/dbraw/zinc/31/71/64/560317164.db2.gz LSCFIZFZICQXPT-KURKYZTESA-N 0 3 359.426 2.087 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452356744 560360072 /nfs/dbraw/zinc/36/00/72/560360072.db2.gz DERAJSOHLYRKNF-CQSZACIVSA-N 0 3 367.471 2.283 20 5 FEBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296488 560385481 /nfs/dbraw/zinc/38/54/81/560385481.db2.gz YYONZFJFVJVLOJ-XHDPSFHLSA-N 0 3 355.460 2.235 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454528524 560448401 /nfs/dbraw/zinc/44/84/01/560448401.db2.gz OZCIBMTWPBMYLK-BBRMVZONSA-N 0 3 350.419 2.066 20 5 FEBDHN CNc1nc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455672506 560491217 /nfs/dbraw/zinc/49/12/17/560491217.db2.gz NFIASLZTGIJIMS-HNNXBMFYSA-N 0 3 369.425 2.426 20 5 FEBDHN CC[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517296 560629280 /nfs/dbraw/zinc/62/92/80/560629280.db2.gz SHKGYZUZNUCLIV-DLBZAZTESA-N 0 3 364.446 2.192 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@@H](OC)C12CCC2 ZINC000459759013 560706753 /nfs/dbraw/zinc/70/67/53/560706753.db2.gz LQZTVLDDISSALK-KNXALSJPSA-N 0 3 363.414 2.478 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000470063884 560973206 /nfs/dbraw/zinc/97/32/06/560973206.db2.gz AQEBAJFWKMJMNL-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCCO)CC1 ZINC000470173357 560975998 /nfs/dbraw/zinc/97/59/98/560975998.db2.gz BJDVEOKPKJLAFR-NTCAYCPXSA-N 0 3 361.442 2.209 20 5 FEBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000470673093 560987074 /nfs/dbraw/zinc/98/70/74/560987074.db2.gz FGAVOXJQULAHNT-OAHLLOKOSA-N 0 3 357.414 2.383 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370622 561072436 /nfs/dbraw/zinc/07/24/36/561072436.db2.gz LAAANFOSCCYNAR-GJZGRUSLSA-N 0 3 352.387 2.050 20 5 FEBDHN CCN1C[C@@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475713848 561102945 /nfs/dbraw/zinc/10/29/45/561102945.db2.gz FSEJUDVGHHDGIH-UONOGXRCSA-N 0 3 365.430 2.061 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000476600882 561123927 /nfs/dbraw/zinc/12/39/27/561123927.db2.gz OVEQNYGZVSRYJG-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000530756669 562422976 /nfs/dbraw/zinc/42/29/76/562422976.db2.gz XKNCFFCITGTLDJ-OAHLLOKOSA-N 0 3 365.478 2.099 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(CCO)CCCCC2)cc1 ZINC000542209235 562627107 /nfs/dbraw/zinc/62/71/07/562627107.db2.gz HBQZPDQQCBKMSY-UHFFFAOYSA-N 0 3 356.444 2.043 20 5 FEBDHN COC(=O)c1cc(NC(=O)NC[C@H]2CCCN(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000568823097 568229825 /nfs/dbraw/zinc/22/98/25/568229825.db2.gz CKUPEBQKLMYDRH-GFCCVEGCSA-N 0 3 364.402 2.153 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)c2cccnc2)c1 ZINC000569046712 568280531 /nfs/dbraw/zinc/28/05/31/568280531.db2.gz DJNURYKWOCWTMT-ZDUSSCGKSA-N 0 3 353.325 2.457 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000556441077 674402420 /nfs/dbraw/zinc/40/24/20/674402420.db2.gz HFBRUJAAUPAMME-UHFFFAOYSA-N 0 3 352.822 2.280 20 5 FEBDHN CC(C)[N@@H+]1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126976 599496780 /nfs/dbraw/zinc/49/67/80/599496780.db2.gz GJLPUCNECZDIJU-LLVKDONJSA-N 0 3 368.401 2.218 20 5 FEBDHN CC(C)[N@H+]1CC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126976 599496781 /nfs/dbraw/zinc/49/67/81/599496781.db2.gz GJLPUCNECZDIJU-LLVKDONJSA-N 0 3 368.401 2.218 20 5 FEBDHN CC(C)[N@@H+]1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126976 599496782 /nfs/dbraw/zinc/49/67/82/599496782.db2.gz GJLPUCNECZDIJU-LLVKDONJSA-N 0 3 368.401 2.218 20 5 FEBDHN CC(C)[N@H+]1CC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126976 599496783 /nfs/dbraw/zinc/49/67/83/599496783.db2.gz GJLPUCNECZDIJU-LLVKDONJSA-N 0 3 368.401 2.218 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738357986 599534464 /nfs/dbraw/zinc/53/44/64/599534464.db2.gz JLKIZMZGGHIFSJ-AWEZNQCLSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738357986 599534467 /nfs/dbraw/zinc/53/44/67/599534467.db2.gz JLKIZMZGGHIFSJ-AWEZNQCLSA-N 0 3 357.418 2.230 20 5 FEBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000821586151 607114061 /nfs/dbraw/zinc/11/40/61/607114061.db2.gz LVGIBUJWLDJMFO-UHFFFAOYSA-N 0 3 367.413 2.343 20 5 FEBDHN CN(CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(C)(=O)=O ZINC000811473811 674607012 /nfs/dbraw/zinc/60/70/12/674607012.db2.gz MQZCAGBWLWSMNT-UHFFFAOYSA-N 0 3 370.258 2.273 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1F ZINC000092993558 670747007 /nfs/dbraw/zinc/74/70/07/670747007.db2.gz YMYZQIAZQFOJAM-GFCCVEGCSA-N 0 3 359.423 2.005 20 5 FEBDHN CC[C@@H]1CCCCN1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571909882 670939561 /nfs/dbraw/zinc/93/95/61/670939561.db2.gz GRGZVNKCFGMHPZ-OAHLLOKOSA-N 0 3 369.487 2.223 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000583481763 672098848 /nfs/dbraw/zinc/09/88/48/672098848.db2.gz DSPCBWMEDJCEJH-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000590165285 672562529 /nfs/dbraw/zinc/56/25/29/672562529.db2.gz DDWQETNMRCJTFH-QGZVFWFLSA-N 0 3 367.471 2.264 20 5 FEBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590369347 672575272 /nfs/dbraw/zinc/57/52/72/672575272.db2.gz CSKXOLDPIUOBRL-GFCCVEGCSA-N 0 3 367.471 2.282 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c(Cl)c1 ZINC000193959734 672742676 /nfs/dbraw/zinc/74/26/76/672742676.db2.gz BENHFBFGTWMDBX-UHFFFAOYSA-N 0 3 373.862 2.401 20 5 FEBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959478 673180801 /nfs/dbraw/zinc/18/08/01/673180801.db2.gz DKPJEQGGWKLWEZ-VXMWWYGOSA-N 0 3 354.428 2.145 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2csc(C(F)(F)F)c2)c1 ZINC000600757930 673796950 /nfs/dbraw/zinc/79/69/50/673796950.db2.gz NEIDNLFXXQMHJS-SNVBAGLBSA-N 0 3 350.322 2.022 20 5 FEBDHN Cc1c(C(=O)NCCN2CC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744801187 673811844 /nfs/dbraw/zinc/81/18/44/673811844.db2.gz MVUJOTOXPLUBNX-SNVBAGLBSA-N 0 3 350.375 2.191 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372046 673850160 /nfs/dbraw/zinc/85/01/60/673850160.db2.gz QMEMYIPOGBKCOP-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000601387181 673853200 /nfs/dbraw/zinc/85/32/00/673853200.db2.gz OYWFCQQHYXQXKD-LLVKDONJSA-N 0 3 361.489 2.316 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000746662727 673888715 /nfs/dbraw/zinc/88/87/15/673888715.db2.gz HNMAWXHNMKHGHJ-ZDUSSCGKSA-N 0 3 353.423 2.028 20 5 FEBDHN CCN1CCC[C@@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746715682 673890898 /nfs/dbraw/zinc/89/08/98/673890898.db2.gz XMOBCICLDOEVQV-SNVBAGLBSA-N 0 3 352.347 2.186 20 5 FEBDHN COCCN1CCC(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000823750904 675570321 /nfs/dbraw/zinc/57/03/21/675570321.db2.gz YZUYOWXSQNHTNB-UHFFFAOYSA-N 0 3 357.357 2.022 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000826796596 675706322 /nfs/dbraw/zinc/70/63/22/675706322.db2.gz LQRFEVCKKWCROZ-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@H](OC)CC2)cc1[N+](=O)[O-] ZINC000616136177 676240593 /nfs/dbraw/zinc/24/05/93/676240593.db2.gz OPXCCSOSWWKHNY-AWEZNQCLSA-N 0 3 352.387 2.148 20 5 FEBDHN CC(COC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[N+](=O)[O-] ZINC000838965162 680729586 /nfs/dbraw/zinc/72/95/86/680729586.db2.gz OCCWJSZPFKIDJV-QMMMGPOBSA-N 0 3 359.169 2.455 20 5 FEBDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000752071841 680221883 /nfs/dbraw/zinc/22/18/83/680221883.db2.gz ZDJUJBLGONDEAY-STQMWFEESA-N 0 3 353.423 2.026 20 5 FEBDHN C[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827636 680274032 /nfs/dbraw/zinc/27/40/32/680274032.db2.gz KPXAPFMSLVKQCO-YPMHNXCESA-N 0 3 361.423 2.399 20 5 FEBDHN CS(=O)(=O)CCOCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841748231 680910249 /nfs/dbraw/zinc/91/02/49/680910249.db2.gz IKBWBRWZLYFPEF-MRXNPFEDSA-N 0 3 356.444 2.013 20 5 FEBDHN CC([C@H](OC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882267 681158974 /nfs/dbraw/zinc/15/89/74/681158974.db2.gz OBGHCUNLOIPYNV-ZAZJYDDPSA-N 0 3 352.362 2.367 20 5 FEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000846973577 681315163 /nfs/dbraw/zinc/31/51/63/681315163.db2.gz QBCJBMWPAHOKLW-CYBMUJFWSA-N 0 3 350.375 2.368 20 5 FEBDHN CS[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000935112651 681690357 /nfs/dbraw/zinc/69/03/57/681690357.db2.gz GDTCOQDAGIWRAE-CABCVRRESA-N 0 3 355.435 2.171 20 5 FEBDHN CCN(CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000849388279 681708545 /nfs/dbraw/zinc/70/85/45/681708545.db2.gz RXFAIZLAQRGRDO-UHFFFAOYSA-N 0 3 366.443 2.152 20 5 FEBDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711110 682553047 /nfs/dbraw/zinc/55/30/47/682553047.db2.gz KIBFXJKLJCUFRS-WFASDCNBSA-N 0 3 352.435 2.005 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575430 682980721 /nfs/dbraw/zinc/98/07/21/682980721.db2.gz BJZWIVGSWBZWEO-IRUJWGPZSA-N 0 3 368.821 2.080 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOC3CCSCC3)C2)nc1 ZINC000929988453 683665706 /nfs/dbraw/zinc/66/57/06/683665706.db2.gz OBSKNSYBHAXVGJ-CYBMUJFWSA-N 0 3 352.460 2.388 20 5 FEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000865789643 684029114 /nfs/dbraw/zinc/02/91/14/684029114.db2.gz LHXXBFMJJMSMDJ-CYBMUJFWSA-N 0 3 351.378 2.107 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c1 ZINC000867307586 684243412 /nfs/dbraw/zinc/24/34/12/684243412.db2.gz BVCNIMMAVSLRDS-GHMZBOCLSA-N 0 3 361.851 2.270 20 5 FEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309292 684244138 /nfs/dbraw/zinc/24/41/38/684244138.db2.gz RDRIZMKOVBQKIE-LDYMZIIASA-N 0 3 365.814 2.100 20 5 FEBDHN C[C@@](CO)(NC[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273606 686784643 /nfs/dbraw/zinc/78/46/43/686784643.db2.gz WRBQXNVPFZLSCS-IRXDYDNUSA-N 0 3 350.415 2.120 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c(OC(F)F)c1 ZINC000897221368 689990124 /nfs/dbraw/zinc/99/01/24/689990124.db2.gz LYOBDLSJHQVSKL-STQMWFEESA-N 0 3 357.357 2.232 20 5 FEBDHN CC(C)N(CCN(C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000904019945 690995049 /nfs/dbraw/zinc/99/50/49/690995049.db2.gz KNAAELUDBSNMAP-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000907555234 691518551 /nfs/dbraw/zinc/51/85/51/691518551.db2.gz SAAUFAGEZCBRTR-ABAIWWIYSA-N 0 3 373.862 2.129 20 5 FEBDHN COC(=O)COc1ccc(CNc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000473486236 810360320 /nfs/dbraw/zinc/36/03/20/810360320.db2.gz CNTOYUBDQDOZFD-UHFFFAOYSA-N 0 3 360.370 2.220 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041652458 540029305 /nfs/dbraw/zinc/02/93/05/540029305.db2.gz ZZBHHDQGZGKUCE-STQMWFEESA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041652452 540029705 /nfs/dbraw/zinc/02/97/05/540029705.db2.gz ZZBHHDQGZGKUCE-QWHCGFSZSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)Cc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000047453424 540312058 /nfs/dbraw/zinc/31/20/58/540312058.db2.gz YYAKWDAVEWJXPJ-UHFFFAOYSA-N 0 3 366.381 2.489 20 5 FEBDHN Cc1c(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000048799100 540373765 /nfs/dbraw/zinc/37/37/65/540373765.db2.gz LXWMOVYWQLCUDO-UHFFFAOYSA-N 0 3 362.430 2.222 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000049969043 540395452 /nfs/dbraw/zinc/39/54/52/540395452.db2.gz MXZWOZZTPKTUJQ-UHFFFAOYSA-N 0 3 364.446 2.206 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000052101455 540454343 /nfs/dbraw/zinc/45/43/43/540454343.db2.gz WKCPFXAYODNAGO-STQMWFEESA-N 0 3 370.475 2.178 20 5 FEBDHN CC[C@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(CC)CC ZINC000538823448 540895757 /nfs/dbraw/zinc/89/57/57/540895757.db2.gz YHFXCBZZDRWMSP-MRXNPFEDSA-N 0 3 374.445 2.187 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000062121038 541145248 /nfs/dbraw/zinc/14/52/48/541145248.db2.gz ZZBHHDQGZGKUCE-OLZOCXBDSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916277 541220517 /nfs/dbraw/zinc/22/05/17/541220517.db2.gz DEBFVDLDHFGZPG-UHFFFAOYSA-N 0 3 353.382 2.375 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC[C@@H]1C ZINC000066307299 541299801 /nfs/dbraw/zinc/29/98/01/541299801.db2.gz PUBPGLMJKCZJSZ-STQMWFEESA-N 0 3 363.414 2.359 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)cc1OC ZINC000068341448 541579073 /nfs/dbraw/zinc/57/90/73/541579073.db2.gz WEWSXUAYXMIVST-GFCCVEGCSA-N 0 3 351.403 2.168 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000068882738 541636453 /nfs/dbraw/zinc/63/64/53/541636453.db2.gz SSHMNGJFSKTKKS-CQSZACIVSA-N 0 3 353.444 2.152 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000070829472 541745753 /nfs/dbraw/zinc/74/57/53/541745753.db2.gz WHMBGDZJYFNRIN-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000801571816 674136834 /nfs/dbraw/zinc/13/68/34/674136834.db2.gz CRNFUVGUBKBYPM-MRXNPFEDSA-N 0 3 353.423 2.028 20 5 FEBDHN C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000076331270 542261216 /nfs/dbraw/zinc/26/12/16/542261216.db2.gz UGYILFFHJATEKL-LBPRGKRZSA-N 0 3 369.853 2.253 20 5 FEBDHN CCO[C@@H]1CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076405102 542275218 /nfs/dbraw/zinc/27/52/18/542275218.db2.gz UUOQNEXBOGUOGT-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000078643753 542473578 /nfs/dbraw/zinc/47/35/78/542473578.db2.gz WHOFCEPJDFDJSC-UHFFFAOYSA-N 0 3 361.851 2.211 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093045306 542904461 /nfs/dbraw/zinc/90/44/61/542904461.db2.gz OIPYUGOSVRKJKT-VQHVLOKHSA-N 0 3 360.458 2.094 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(-n4cncn4)cc3)C2)nc1 ZINC000093534735 542933765 /nfs/dbraw/zinc/93/37/65/542933765.db2.gz NQSJQNLJCWYLNX-HNNXBMFYSA-N 0 3 365.397 2.257 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000093963085 542947086 /nfs/dbraw/zinc/94/70/86/542947086.db2.gz AVKRPSOIHRTASY-UHFFFAOYSA-N 0 3 362.474 2.277 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000102233870 543063804 /nfs/dbraw/zinc/06/38/04/543063804.db2.gz NJQSGFSIQIMYAR-UHFFFAOYSA-N 0 3 361.402 2.106 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)cc1OC ZINC000103119070 543093077 /nfs/dbraw/zinc/09/30/77/543093077.db2.gz BNMZNQKLNCQPJP-UHFFFAOYSA-N 0 3 351.403 2.170 20 5 FEBDHN C[C@H](O)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000104684192 543137541 /nfs/dbraw/zinc/13/75/41/543137541.db2.gz GHGDALRCBGHDBT-AWEZNQCLSA-N 0 3 361.442 2.499 20 5 FEBDHN Cn1cc(C(=O)NC[C@@H]2CCCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108342246 543287272 /nfs/dbraw/zinc/28/72/72/543287272.db2.gz UXIHQHDRDZHMSF-ZDUSSCGKSA-N 0 3 357.414 2.067 20 5 FEBDHN Cc1c(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000109788990 543339433 /nfs/dbraw/zinc/33/94/33/543339433.db2.gz BEHBKBBCTLYRNP-UHFFFAOYSA-N 0 3 374.485 2.279 20 5 FEBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000110356277 543355678 /nfs/dbraw/zinc/35/56/78/543355678.db2.gz CRPBTSYYZWSCDK-CQSZACIVSA-N 0 3 359.430 2.163 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000111461579 543402338 /nfs/dbraw/zinc/40/23/38/543402338.db2.gz HEQHPKYTNILHGB-HNNXBMFYSA-N 0 3 350.419 2.277 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115585647 543576250 /nfs/dbraw/zinc/57/62/50/543576250.db2.gz AWENFCRRARUYJD-NSHDSACASA-N 0 3 361.851 2.211 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115585649 543576291 /nfs/dbraw/zinc/57/62/91/543576291.db2.gz AWENFCRRARUYJD-LLVKDONJSA-N 0 3 361.851 2.211 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCNS(=O)(=O)c1cccs1 ZINC000122174377 543704617 /nfs/dbraw/zinc/70/46/17/543704617.db2.gz VAUFXJYBRKQMAE-ZZXKWVIFSA-N 0 3 367.452 2.238 20 5 FEBDHN CN(C)CCOc1cc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000124037691 543798272 /nfs/dbraw/zinc/79/82/72/543798272.db2.gz YACJQPHNIWFBMU-BQYQJAHWSA-N 0 3 370.409 2.260 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000124125112 543801895 /nfs/dbraw/zinc/80/18/95/543801895.db2.gz ULSFWUIVYLFQQN-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN O=C(CCN[C@@]1(CO)CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000129279709 544102775 /nfs/dbraw/zinc/10/27/75/544102775.db2.gz QZCLNRMIDNJURN-LJQANCHMSA-N 0 3 373.384 2.486 20 5 FEBDHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130714032 544161954 /nfs/dbraw/zinc/16/19/54/544161954.db2.gz ZXOAPGYLVYYNJK-HUUCEWRRSA-N 0 3 369.487 2.382 20 5 FEBDHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452894 544347257 /nfs/dbraw/zinc/34/72/57/544347257.db2.gz WIDZTIIFAUBGKF-JKSUJKDBSA-N 0 3 358.398 2.070 20 5 FEBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000135565222 544352945 /nfs/dbraw/zinc/35/29/45/544352945.db2.gz FPNARGLNIMPHRW-WMLDXEAASA-N 0 3 360.414 2.077 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c(Cl)c1 ZINC000146591501 544440422 /nfs/dbraw/zinc/44/04/22/544440422.db2.gz KOJCSEYGKHNFJA-GFCCVEGCSA-N 0 3 359.835 2.107 20 5 FEBDHN CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000151172232 544513073 /nfs/dbraw/zinc/51/30/73/544513073.db2.gz BYHQTKOIGBXWHL-HNNXBMFYSA-N 0 3 357.414 2.162 20 5 FEBDHN C[C@@H](CN1CCCCC1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000151897214 544594068 /nfs/dbraw/zinc/59/40/68/544594068.db2.gz ZBSGOLFCDJQBEH-ZDUSSCGKSA-N 0 3 370.475 2.131 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153652214 544804020 /nfs/dbraw/zinc/80/40/20/544804020.db2.gz JZVBKDHYYVKCOH-CQSZACIVSA-N 0 3 363.462 2.298 20 5 FEBDHN CCCN(CCN1CCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553265428 674249302 /nfs/dbraw/zinc/24/93/02/674249302.db2.gz LPLOALPDDYKVSH-UHFFFAOYSA-N 0 3 350.419 2.397 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000188142181 328069028 /nfs/dbraw/zinc/06/90/28/328069028.db2.gz LLKIIKKTVPNJJE-OAHLLOKOSA-N 0 3 357.414 2.447 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000189146911 328131050 /nfs/dbraw/zinc/13/10/50/328131050.db2.gz OWCQQJWPRGSMBM-HUUCEWRRSA-N 0 3 369.487 2.177 20 5 FEBDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000189129883 328130158 /nfs/dbraw/zinc/13/01/58/328130158.db2.gz DQYKGOVXXIHDKY-UHFFFAOYSA-N 0 3 361.851 2.353 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191802571 328282804 /nfs/dbraw/zinc/28/28/04/328282804.db2.gz DLDLHUNEDZDKHZ-HIFRSBDPSA-N 0 3 363.414 2.363 20 5 FEBDHN COc1ccc(NC(=O)CN2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000027118320 324430841 /nfs/dbraw/zinc/43/08/41/324430841.db2.gz RIFVXGBKRICEJX-UHFFFAOYSA-N 0 3 362.430 2.102 20 5 FEBDHN COC(=O)c1cc(C(=O)NCc2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000033083782 324482966 /nfs/dbraw/zinc/48/29/66/324482966.db2.gz DAYXHPMWGVEVIP-UHFFFAOYSA-N 0 3 371.393 2.373 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000079557368 325096883 /nfs/dbraw/zinc/09/68/83/325096883.db2.gz GPNWVMOLHSESLC-PBHICJAKSA-N 0 3 371.441 2.269 20 5 FEBDHN CCOc1ccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091813551 325394648 /nfs/dbraw/zinc/39/46/48/325394648.db2.gz HFIKUSQROLUIMJ-SFHVURJKSA-N 0 3 372.425 2.340 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098104624 325466839 /nfs/dbraw/zinc/46/68/39/325466839.db2.gz PZXXIZGDZUSERP-AWEZNQCLSA-N 0 3 351.451 2.123 20 5 FEBDHN C[C@@H](NCCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000112548082 325789150 /nfs/dbraw/zinc/78/91/50/325789150.db2.gz HSYOPAVHSMKYLK-SNVBAGLBSA-N 0 3 371.319 2.427 20 5 FEBDHN O=C1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000119901452 326210937 /nfs/dbraw/zinc/21/09/37/326210937.db2.gz PZVULDHPCQJSKA-KDOFPFPSSA-N 0 3 359.426 2.449 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000121762364 326364623 /nfs/dbraw/zinc/36/46/23/326364623.db2.gz OPFRNMQMPLKHHR-UKRRQHHQSA-N 0 3 365.455 2.232 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000123862099 326443654 /nfs/dbraw/zinc/44/36/54/326443654.db2.gz FXGBYSHUNDQJEV-UHFFFAOYSA-N 0 3 356.426 2.176 20 5 FEBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128860391 326530919 /nfs/dbraw/zinc/53/09/19/326530919.db2.gz WQKMKSYSSHLZCO-AEFFLSMTSA-N 0 3 369.425 2.454 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000162898931 327037556 /nfs/dbraw/zinc/03/75/56/327037556.db2.gz OSIPYXNDLHHTQI-HNNXBMFYSA-N 0 3 350.419 2.478 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171565234 327145921 /nfs/dbraw/zinc/14/59/21/327145921.db2.gz KQABORMONOJSAK-UHFFFAOYSA-N 0 3 359.430 2.440 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC1CCN(C)CC1 ZINC000171737919 327157994 /nfs/dbraw/zinc/15/79/94/327157994.db2.gz RLPFLZKIHSCJLW-UHFFFAOYSA-N 0 3 350.419 2.087 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000173259517 327244797 /nfs/dbraw/zinc/24/47/97/327244797.db2.gz YYQBTQJRTRWEFV-UKRRQHHQSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173669865 327275551 /nfs/dbraw/zinc/27/55/51/327275551.db2.gz GPYRLWGROOCCFE-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173828189 327287121 /nfs/dbraw/zinc/28/71/21/327287121.db2.gz AAKBMMJSKXQFMR-UONOGXRCSA-N 0 3 353.444 2.151 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000264428947 329022007 /nfs/dbraw/zinc/02/20/07/329022007.db2.gz TZOZTRWBKJHKFH-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264942402 329076998 /nfs/dbraw/zinc/07/69/98/329076998.db2.gz WIHWGDCCJOGOKO-AWEZNQCLSA-N 0 3 374.441 2.344 20 5 FEBDHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082186 329088659 /nfs/dbraw/zinc/08/86/59/329088659.db2.gz QQMRXAMFRVNYJI-GHMZBOCLSA-N 0 3 351.794 2.450 20 5 FEBDHN CN(c1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000266847935 329265503 /nfs/dbraw/zinc/26/55/03/329265503.db2.gz POSOXTDBFHPFHC-HNNXBMFYSA-N 0 3 369.425 2.190 20 5 FEBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268125163 329388036 /nfs/dbraw/zinc/38/80/36/329388036.db2.gz CNTLZTQMNMACEB-UHFFFAOYSA-N 0 3 351.378 2.109 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000270968662 329650019 /nfs/dbraw/zinc/65/00/19/329650019.db2.gz ZORKVTAWNLYSLQ-UHFFFAOYSA-N 0 3 369.487 2.272 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272496569 329785700 /nfs/dbraw/zinc/78/57/00/329785700.db2.gz KXSHFZNTSPZJIC-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN COc1ccc([C@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000272747888 329810101 /nfs/dbraw/zinc/81/01/01/329810101.db2.gz JJIJMMCKCFBUDX-AWEZNQCLSA-N 0 3 358.402 2.225 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000275107427 330011186 /nfs/dbraw/zinc/01/11/86/330011186.db2.gz KVMSXSMBJBKPLT-GOEBONIOSA-N 0 3 365.455 2.255 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)C(C)(C)C1 ZINC000275438706 330048974 /nfs/dbraw/zinc/04/89/74/330048974.db2.gz JYQYRUNTYWHXRZ-OAHLLOKOSA-N 0 3 351.403 2.025 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2cccc(F)c2)CC1 ZINC000367141586 330221742 /nfs/dbraw/zinc/22/17/42/330221742.db2.gz QVAAEZNKFHARAA-UHFFFAOYSA-N 0 3 374.416 2.496 20 5 FEBDHN CN1CCN(C(=O)CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433173052 330274522 /nfs/dbraw/zinc/27/45/22/330274522.db2.gz IVAHNYGNYBIJBU-KRWDZBQOSA-N 0 3 360.458 2.071 20 5 FEBDHN CCOCCO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157673039 545768285 /nfs/dbraw/zinc/76/82/85/545768285.db2.gz RWFQJAALCIAKEG-INIZCTEOSA-N 0 3 365.430 2.359 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000478480578 561167993 /nfs/dbraw/zinc/16/79/93/561167993.db2.gz YCOBNHGASCTYOL-UHFFFAOYSA-N 0 3 360.345 2.100 20 5 FEBDHN O=C1NC2(CCCC2)C(=O)N1CCCCNCc1cccc([N+](=O)[O-])c1 ZINC000479878839 561198640 /nfs/dbraw/zinc/19/86/40/561198640.db2.gz DGSVBVBHDIUILU-UHFFFAOYSA-N 0 3 360.414 2.329 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183391 546417200 /nfs/dbraw/zinc/41/72/00/546417200.db2.gz DUUBKWQFYHCVPG-ZBFHGGJFSA-N 0 3 364.446 2.374 20 5 FEBDHN CCOc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000481191307 561227648 /nfs/dbraw/zinc/22/76/48/561227648.db2.gz MOBUEYWCHXMDFO-INIZCTEOSA-N 0 3 353.444 2.161 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000178382083 546784341 /nfs/dbraw/zinc/78/43/41/546784341.db2.gz PWWAVRUBSSOGIY-CJNGLKHVSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@H](NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180561289 547130318 /nfs/dbraw/zinc/13/03/18/547130318.db2.gz FXEVQPLXEXLDBS-LBPRGKRZSA-N 0 3 357.414 2.431 20 5 FEBDHN O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000180735100 547169875 /nfs/dbraw/zinc/16/98/75/547169875.db2.gz DBYDQILDDCOLSB-CALCHBBNSA-N 0 3 365.389 2.212 20 5 FEBDHN CNC(=O)C[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000483411502 561276502 /nfs/dbraw/zinc/27/65/02/561276502.db2.gz ABDXGZAQDVBNKM-INIZCTEOSA-N 0 3 373.409 2.449 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000182035235 547426615 /nfs/dbraw/zinc/42/66/15/547426615.db2.gz DAPNZQNSGDXTAY-INIZCTEOSA-N 0 3 362.430 2.256 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000183911770 547739201 /nfs/dbraw/zinc/73/92/01/547739201.db2.gz RRFUUWDKYCAXGG-HNNXBMFYSA-N 0 3 359.430 2.215 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184309770 547805892 /nfs/dbraw/zinc/80/58/92/547805892.db2.gz MLNFASZCAFSUTC-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CSc1cccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000485500223 561320554 /nfs/dbraw/zinc/32/05/54/561320554.db2.gz XTJGVRBRONLNIB-WCQYABFASA-N 0 3 355.485 2.434 20 5 FEBDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000186780456 548191175 /nfs/dbraw/zinc/19/11/75/548191175.db2.gz TUAVIPUMZOGKRK-OAHLLOKOSA-N 0 3 369.487 2.321 20 5 FEBDHN CN(C)C1(CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC1 ZINC000187005274 548239253 /nfs/dbraw/zinc/23/92/53/548239253.db2.gz WYLUDIAVGIOMKM-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)N(C)C ZINC000193099457 548379886 /nfs/dbraw/zinc/37/98/86/548379886.db2.gz QRZUCXLNTYJPIO-HNNXBMFYSA-N 0 3 373.475 2.248 20 5 FEBDHN CC[C@@H]1CN(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487181553 561365518 /nfs/dbraw/zinc/36/55/18/561365518.db2.gz ABDAGANYLHCGAC-GOSISDBHSA-N 0 3 373.457 2.196 20 5 FEBDHN CC[C@@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000236946712 548789545 /nfs/dbraw/zinc/78/95/45/548789545.db2.gz FSYUMXIUUJTXDL-KGLIPLIRSA-N 0 3 355.460 2.432 20 5 FEBDHN CC[C@H](C)NC(=O)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236975171 548791538 /nfs/dbraw/zinc/79/15/38/548791538.db2.gz UXSXMQOBJANZNR-ZDUSSCGKSA-N 0 3 359.430 2.390 20 5 FEBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1 ZINC000237612054 548838664 /nfs/dbraw/zinc/83/86/64/548838664.db2.gz HRORCGJEXGWNDA-UWVGGRQHSA-N 0 3 356.220 2.109 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000246399356 549124469 /nfs/dbraw/zinc/12/44/69/549124469.db2.gz QHZIFJVIEYKWKT-YLJYHZDGSA-N 0 3 372.421 2.316 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246865594 549231527 /nfs/dbraw/zinc/23/15/27/549231527.db2.gz WEDGPBWCULNXSF-XJKSGUPXSA-N 0 3 355.460 2.087 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247634131 549367008 /nfs/dbraw/zinc/36/70/08/549367008.db2.gz TYLAHUYKCMSXAD-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000248477987 549447576 /nfs/dbraw/zinc/44/75/76/549447576.db2.gz PDWYXOYUEFJHDI-WFASDCNBSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249006049 549539130 /nfs/dbraw/zinc/53/91/30/549539130.db2.gz JAWPYTGLTIEWOB-ZIAGYGMSSA-N 0 3 355.460 2.172 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000250110075 549637182 /nfs/dbraw/zinc/63/71/82/549637182.db2.gz KALDQPUGGRSXPR-ZIAGYGMSSA-N 0 3 365.430 2.219 20 5 FEBDHN C[C@@H]1SCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000252480400 549666285 /nfs/dbraw/zinc/66/62/85/549666285.db2.gz AIUQNMWDVLXJOP-XKQJLSEDSA-N 0 3 362.455 2.331 20 5 FEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261931204 549771057 /nfs/dbraw/zinc/77/10/57/549771057.db2.gz JPZNAPGYIJDHLH-JEBQAFNWSA-N 0 3 354.410 2.349 20 5 FEBDHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000490425986 561432861 /nfs/dbraw/zinc/43/28/61/561432861.db2.gz NETGRRVEEMTBMT-AWEZNQCLSA-N 0 3 367.471 2.231 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000263871179 549949117 /nfs/dbraw/zinc/94/91/17/549949117.db2.gz ZWYFTJULXVDXQE-HNNXBMFYSA-N 0 3 361.398 2.082 20 5 FEBDHN COc1cc(CN(C)C2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000492910910 561453516 /nfs/dbraw/zinc/45/35/16/561453516.db2.gz JGKYLWDAOCTFHM-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000270718697 550299934 /nfs/dbraw/zinc/29/99/34/550299934.db2.gz FALZOPSEUIBGDD-OAHLLOKOSA-N 0 3 369.425 2.481 20 5 FEBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859340 550314614 /nfs/dbraw/zinc/31/46/14/550314614.db2.gz ZORJQXFFFDTDLJ-MRXNPFEDSA-N 0 3 371.441 2.313 20 5 FEBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870966 550315804 /nfs/dbraw/zinc/31/58/04/550315804.db2.gz OCJPTJYNRXBODF-MJGOQNOKSA-N 0 3 369.421 2.208 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273402793 550497375 /nfs/dbraw/zinc/49/73/75/550497375.db2.gz PGZLXYINFZJWFB-SQWLQELKSA-N 0 3 352.431 2.063 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000273508213 550501085 /nfs/dbraw/zinc/50/10/85/550501085.db2.gz KXUDLAGROVKJKG-GFCCVEGCSA-N 0 3 373.450 2.393 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000273520878 550501459 /nfs/dbraw/zinc/50/14/59/550501459.db2.gz OCPNAWAYMPZDGY-NSHDSACASA-N 0 3 359.423 2.085 20 5 FEBDHN Cc1nn(C)c(-c2nc(-c3ccccc3OCCN(C)C)no2)c1[N+](=O)[O-] ZINC000273869385 550514201 /nfs/dbraw/zinc/51/42/01/550514201.db2.gz MXTSDSMCXVPKGJ-UHFFFAOYSA-N 0 3 372.385 2.294 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000274211455 550527826 /nfs/dbraw/zinc/52/78/26/550527826.db2.gz AWGQOUJDRQYORS-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN COc1cc(CNC[C@](C)(O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494635528 561472904 /nfs/dbraw/zinc/47/29/04/561472904.db2.gz UQJAYUGNCFEQIC-INIZCTEOSA-N 0 3 360.357 2.498 20 5 FEBDHN COc1cc(CN[C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000276688656 550585391 /nfs/dbraw/zinc/58/53/91/550585391.db2.gz JUVVHVBOFBIZSN-HNNXBMFYSA-N 0 3 364.373 2.444 20 5 FEBDHN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H](C)C1 ZINC000277605931 550690844 /nfs/dbraw/zinc/69/08/44/550690844.db2.gz AMGHIXGOECROGK-CHWSQXEVSA-N 0 3 374.445 2.391 20 5 FEBDHN CN(C)C1(CN(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000278825192 550826273 /nfs/dbraw/zinc/82/62/73/550826273.db2.gz ZVAZSSCYXBFECA-UHFFFAOYSA-N 0 3 360.418 2.097 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000278846324 550828464 /nfs/dbraw/zinc/82/84/64/550828464.db2.gz WFTALSPGUQSRBX-ZDUSSCGKSA-N 0 3 355.822 2.133 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279510412 550898355 /nfs/dbraw/zinc/89/83/55/550898355.db2.gz UGEUCDJZQCWQOA-UHFFFAOYSA-N 0 3 350.350 2.113 20 5 FEBDHN CNC(=O)[C@]1(C)CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658512 551018581 /nfs/dbraw/zinc/01/85/81/551018581.db2.gz DSUJMWUPJQAXSG-PIGZYNQJSA-N 0 3 359.386 2.164 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282752709 551266896 /nfs/dbraw/zinc/26/68/96/551266896.db2.gz BIAMYBLECZVHPO-LBPRGKRZSA-N 0 3 351.794 2.312 20 5 FEBDHN CN(C)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000282966427 551290723 /nfs/dbraw/zinc/29/07/23/551290723.db2.gz ONVDBBCVJYMVDK-LBPRGKRZSA-N 0 3 351.794 2.014 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750848 551421598 /nfs/dbraw/zinc/42/15/98/551421598.db2.gz OMRQUYQNTPJFLX-IINYFYTJSA-N 0 3 350.394 2.012 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000283828607 551434070 /nfs/dbraw/zinc/43/40/70/551434070.db2.gz GAZVZZWOUGOTDK-LBPRGKRZSA-N 0 3 350.394 2.407 20 5 FEBDHN CN1CCO[C@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000283950553 551455892 /nfs/dbraw/zinc/45/58/92/551455892.db2.gz AOKXOEKFDOIOCC-IRXDYDNUSA-N 0 3 372.425 2.197 20 5 FEBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285185560 551717377 /nfs/dbraw/zinc/71/73/77/551717377.db2.gz NHBUCIXPDYDAPS-UHFFFAOYSA-N 0 3 361.427 2.162 20 5 FEBDHN CNC(=O)CC[C@@H]1CCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286573155 551901565 /nfs/dbraw/zinc/90/15/65/551901565.db2.gz URAAAEXLBLGCPY-AWEZNQCLSA-N 0 3 365.430 2.363 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384541 552144615 /nfs/dbraw/zinc/14/46/15/552144615.db2.gz LYRMHICTUHBITL-QWHCGFSZSA-N 0 3 361.398 2.065 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532948 552170623 /nfs/dbraw/zinc/17/06/23/552170623.db2.gz URJIACKHZBDKCK-RDTXWAMCSA-N 0 3 369.425 2.479 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000288806690 552215819 /nfs/dbraw/zinc/21/58/19/552215819.db2.gz HEUOVMGZKFYSES-UHFFFAOYSA-N 0 3 374.445 2.023 20 5 FEBDHN CO[C@@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289490762 552330145 /nfs/dbraw/zinc/33/01/45/552330145.db2.gz KXFKSNSBDDTQPM-QMMMGPOBSA-N 0 3 350.156 2.324 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500868772 561584807 /nfs/dbraw/zinc/58/48/07/561584807.db2.gz ZEHHXOAHBLUVRU-XJKSGUPXSA-N 0 3 357.414 2.051 20 5 FEBDHN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000290637960 552511066 /nfs/dbraw/zinc/51/10/66/552511066.db2.gz NHFADMKBCBSRBP-UHFFFAOYSA-N 0 3 369.425 2.190 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290740124 552529477 /nfs/dbraw/zinc/52/94/77/552529477.db2.gz YSUFRHNFIYABKX-OAHLLOKOSA-N 0 3 363.393 2.048 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000501239877 561592936 /nfs/dbraw/zinc/59/29/36/561592936.db2.gz LMHXSMKKUKZZBO-UHFFFAOYSA-N 0 3 365.478 2.460 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CC1)OCCCO2 ZINC000293009851 552780149 /nfs/dbraw/zinc/78/01/49/552780149.db2.gz NVWVRQCYSCMSTB-UHFFFAOYSA-N 0 3 363.414 2.461 20 5 FEBDHN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN(C2CCC2)C1 ZINC000293622135 552841201 /nfs/dbraw/zinc/84/12/01/552841201.db2.gz FSUNXXZNVGFRDF-LLVKDONJSA-N 0 3 350.394 2.263 20 5 FEBDHN COc1cccc(C(=O)NCCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293742607 552851887 /nfs/dbraw/zinc/85/18/87/552851887.db2.gz NQMLBEPSSFUJCC-GFCCVEGCSA-N 0 3 358.398 2.266 20 5 FEBDHN C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293899021 552866363 /nfs/dbraw/zinc/86/63/63/552866363.db2.gz WIZOBMHJBMNPGT-AWEZNQCLSA-N 0 3 370.457 2.175 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294557093 552915682 /nfs/dbraw/zinc/91/56/82/552915682.db2.gz KQXPQFXDIIKJSK-UHFFFAOYSA-N 0 3 357.414 2.399 20 5 FEBDHN C[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000294950901 552946728 /nfs/dbraw/zinc/94/67/28/552946728.db2.gz AVICQESZCIKWCA-YVEFUNNKSA-N 0 3 364.423 2.383 20 5 FEBDHN CCCN(CCN(C)C)C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000502416569 561617886 /nfs/dbraw/zinc/61/78/86/561617886.db2.gz KPUWUTGOBFTAMY-UHFFFAOYSA-N 0 3 353.419 2.416 20 5 FEBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098094 553104210 /nfs/dbraw/zinc/10/42/10/553104210.db2.gz HTNHMOHJNZOZDY-HOTGVXAUSA-N 0 3 363.414 2.479 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298002996 553369495 /nfs/dbraw/zinc/36/94/95/553369495.db2.gz YCKUKSMDLGZIJK-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298171190 553393373 /nfs/dbraw/zinc/39/33/73/553393373.db2.gz QLQSTCJDBUGDKM-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN C[C@@H]1C[C@@]1(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382530 561640356 /nfs/dbraw/zinc/64/03/56/561640356.db2.gz IMKPTDPHNKTRII-RLCCDNCMSA-N 0 3 350.806 2.331 20 5 FEBDHN COc1cc(C(=O)NCCN(C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000299264881 553539589 /nfs/dbraw/zinc/53/95/89/553539589.db2.gz FBHLFGRMTRVWHG-UHFFFAOYSA-N 0 3 359.329 2.029 20 5 FEBDHN CC(C)N(CCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000504010282 561651857 /nfs/dbraw/zinc/65/18/57/561651857.db2.gz UVAMKFLZXITXCX-UHFFFAOYSA-N 0 3 357.476 2.475 20 5 FEBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299431867 553562107 /nfs/dbraw/zinc/56/21/07/553562107.db2.gz LVXOOWZVYMOENS-FUHWJXTLSA-N 0 3 369.425 2.324 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301975627 553695884 /nfs/dbraw/zinc/69/58/84/553695884.db2.gz VWBPQGZKDMMORI-CQSZACIVSA-N 0 3 352.822 2.167 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000312610992 553756328 /nfs/dbraw/zinc/75/63/28/553756328.db2.gz GTXJHRZHCOXKNT-HNNXBMFYSA-N 0 3 369.425 2.214 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)cc1SC ZINC000330629857 554148256 /nfs/dbraw/zinc/14/82/56/554148256.db2.gz BUQUNCVEJZGHNY-LLVKDONJSA-N 0 3 353.444 2.492 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000330879786 554182288 /nfs/dbraw/zinc/18/22/88/554182288.db2.gz AYPLQHKYWMNOBO-KGLIPLIRSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331176494 554226031 /nfs/dbraw/zinc/22/60/31/554226031.db2.gz KEUMPOSVASZSPY-RCBQFDQVSA-N 0 3 355.460 2.414 20 5 FEBDHN Cc1cc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081028 554375814 /nfs/dbraw/zinc/37/58/14/554375814.db2.gz LAVNPDNHABXLIH-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN COc1c(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cccc1[N+](=O)[O-] ZINC000332084191 554376974 /nfs/dbraw/zinc/37/69/74/554376974.db2.gz PLYMQBFGQYXBIB-CABCVRRESA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 ZINC000332316751 554423944 /nfs/dbraw/zinc/42/39/44/554423944.db2.gz YRBWYCZAVOSLRG-ZIAGYGMSSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510521590 561837510 /nfs/dbraw/zinc/83/75/10/561837510.db2.gz IPDWYZNTNUPHBL-DOMZBBRYSA-N 0 3 359.430 2.366 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510720088 561844358 /nfs/dbraw/zinc/84/43/58/561844358.db2.gz LZORSWNXCSFVMA-KGLIPLIRSA-N 0 3 353.444 2.041 20 5 FEBDHN CC(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000611700689 554668116 /nfs/dbraw/zinc/66/81/16/554668116.db2.gz CGRLUQCCZNRPDK-KRWDZBQOSA-N 0 3 358.446 2.222 20 5 FEBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000360828287 554891582 /nfs/dbraw/zinc/89/15/82/554891582.db2.gz IUYYTJZEBXFWLX-RHSMWYFYSA-N 0 3 361.446 2.085 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000361832656 554937063 /nfs/dbraw/zinc/93/70/63/554937063.db2.gz YRFANVUYKNYDSL-CYBMUJFWSA-N 0 3 353.854 2.107 20 5 FEBDHN Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000362813973 554990574 /nfs/dbraw/zinc/99/05/74/554990574.db2.gz ZRBTYBYCNQGMGC-JKSUJKDBSA-N 0 3 362.430 2.356 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422734 555101638 /nfs/dbraw/zinc/10/16/38/555101638.db2.gz IXHGJUNWTZJYLY-JHJVBQTASA-N 0 3 353.444 2.276 20 5 FEBDHN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1=CCN(C)CC1 ZINC000512129956 561893364 /nfs/dbraw/zinc/89/33/64/561893364.db2.gz XZBIORREKZPOOU-CYBMUJFWSA-N 0 3 355.398 2.161 20 5 FEBDHN O=C(CCN1CCOC2(CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364247596 555277829 /nfs/dbraw/zinc/27/78/29/555277829.db2.gz ZUTUPRPGJIZGNK-UHFFFAOYSA-N 0 3 363.414 2.195 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556369 555337567 /nfs/dbraw/zinc/33/75/67/555337567.db2.gz JBMBAKZYUVJMFT-DJIMGWMZSA-N 0 3 361.442 2.143 20 5 FEBDHN Cc1nnc(C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000365109919 555487216 /nfs/dbraw/zinc/48/72/16/555487216.db2.gz MVBUSZSVSXXNMO-NSHDSACASA-N 0 3 358.402 2.228 20 5 FEBDHN Cc1cc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000365115925 555489211 /nfs/dbraw/zinc/48/92/11/555489211.db2.gz IFSUJKRWSCQTNF-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000365819894 555674824 /nfs/dbraw/zinc/67/48/24/555674824.db2.gz LBIIJPYHXPQAAX-OAHLLOKOSA-N 0 3 364.377 2.007 20 5 FEBDHN CCc1nn(C)c(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000365974854 555715793 /nfs/dbraw/zinc/71/57/93/555715793.db2.gz IECUBFWOPXMMJB-HOCLYGCPSA-N 0 3 358.446 2.415 20 5 FEBDHN CC1=C[C@@H](C)C[C@@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516368 562045594 /nfs/dbraw/zinc/04/55/94/562045594.db2.gz QGQYINRINJNEDT-UKRRQHHQSA-N 0 3 367.471 2.455 20 5 FEBDHN CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516366 562045653 /nfs/dbraw/zinc/04/56/53/562045653.db2.gz QGQYINRINJNEDT-DZGCQCFKSA-N 0 3 367.471 2.455 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370203213 556809667 /nfs/dbraw/zinc/80/96/67/556809667.db2.gz ZYLXMHWAFYGJOL-SFHVURJKSA-N 0 3 362.474 2.204 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH]2)CC1 ZINC000373293037 557666705 /nfs/dbraw/zinc/66/67/05/557666705.db2.gz LWNYARIBFVHRRV-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000375200987 557991221 /nfs/dbraw/zinc/99/12/21/557991221.db2.gz JYJCDHRJTMHCCI-UHFFFAOYSA-N 0 3 363.414 2.435 20 5 FEBDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375513653 558040862 /nfs/dbraw/zinc/04/08/62/558040862.db2.gz VOODZSFFLDGBHW-LLVKDONJSA-N 0 3 356.810 2.169 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899476 558096056 /nfs/dbraw/zinc/09/60/56/558096056.db2.gz CDRNNLYOTYFFLN-QGZVFWFLSA-N 0 3 350.438 2.334 20 5 FEBDHN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000522037502 562189955 /nfs/dbraw/zinc/18/99/55/562189955.db2.gz LPADJTIGIPDMJQ-OAHLLOKOSA-N 0 3 355.398 2.089 20 5 FEBDHN COC(=O)/C=C/c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512634 558354999 /nfs/dbraw/zinc/35/49/99/558354999.db2.gz OKZCEMHJMZAPDH-CJKAQPIMSA-N 0 3 361.398 2.056 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000524611226 562231045 /nfs/dbraw/zinc/23/10/45/562231045.db2.gz GBNSWDBCRHTNFN-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524737079 562233464 /nfs/dbraw/zinc/23/34/64/562233464.db2.gz FPKFBPZPJNBACQ-OCCSQVGLSA-N 0 3 357.414 2.208 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000524976758 562238906 /nfs/dbraw/zinc/23/89/06/562238906.db2.gz GWLLUFVWWJPLNE-IBGZPJMESA-N 0 3 370.409 2.353 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553119 558916189 /nfs/dbraw/zinc/91/61/89/558916189.db2.gz ICLMYRBHQKDZOY-RVSPLBMKSA-N 0 3 374.441 2.030 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715108 558949527 /nfs/dbraw/zinc/94/95/27/558949527.db2.gz AXHVMRXMTCJFTN-OKILXGFUSA-N 0 3 364.446 2.347 20 5 FEBDHN CO[C@](C)([C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945219 558992954 /nfs/dbraw/zinc/99/29/54/558992954.db2.gz KJZYBNOBLGFRDK-DYZYQPBXSA-N 0 3 365.386 2.055 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1F ZINC000412122675 559015667 /nfs/dbraw/zinc/01/56/67/559015667.db2.gz GRMNLQBLRWLOEK-DGCLKSJQSA-N 0 3 353.394 2.084 20 5 FEBDHN CC[C@@H](C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000413072386 559075228 /nfs/dbraw/zinc/07/52/28/559075228.db2.gz PCRNQINELGUZEZ-CABCVRRESA-N 0 3 365.430 2.434 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413135028 559081711 /nfs/dbraw/zinc/08/17/11/559081711.db2.gz LUSJGSCJQULUMI-KRWDZBQOSA-N 0 3 355.442 2.359 20 5 FEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000413152949 559083542 /nfs/dbraw/zinc/08/35/42/559083542.db2.gz JNIBNHXXZVJZBC-WMLDXEAASA-N 0 3 360.389 2.424 20 5 FEBDHN CC(C)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000527128545 562277410 /nfs/dbraw/zinc/27/74/10/562277410.db2.gz SXTHMQOMEQHBAO-UHFFFAOYSA-N 0 3 362.474 2.476 20 5 FEBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000416308184 559304814 /nfs/dbraw/zinc/30/48/14/559304814.db2.gz OZIUEOMWJIFQJQ-UHFFFAOYSA-N 0 3 356.220 2.110 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c(C)cc1[N+](=O)[O-] ZINC000416397250 559310151 /nfs/dbraw/zinc/31/01/51/559310151.db2.gz ILTITWWYXQNJGA-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCCN(C)C2)cc1C ZINC000416557506 559321666 /nfs/dbraw/zinc/32/16/66/559321666.db2.gz GYKKLKJMPDPPPB-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CN1CCO ZINC000419338568 559438243 /nfs/dbraw/zinc/43/82/43/559438243.db2.gz LJICXLLJDUJAHX-HUUCEWRRSA-N 0 3 374.441 2.179 20 5 FEBDHN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420467110 559489061 /nfs/dbraw/zinc/48/90/61/559489061.db2.gz NAHGCIJPGZIRDD-FOCQTFQBSA-N 0 3 359.835 2.042 20 5 FEBDHN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420469050 559489197 /nfs/dbraw/zinc/48/91/97/559489197.db2.gz PBUUFLAEDSXLRW-HZNSRWLBSA-N 0 3 359.835 2.042 20 5 FEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000421377095 559540534 /nfs/dbraw/zinc/54/05/34/559540534.db2.gz HMAJOMYJJLPBHP-CQSZACIVSA-N 0 3 353.444 2.161 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCc4nnnn4CC3)o2)cc1 ZINC000421399702 559541385 /nfs/dbraw/zinc/54/13/85/559541385.db2.gz QSUAOFKXTTXZIM-CYBMUJFWSA-N 0 3 354.370 2.336 20 5 FEBDHN N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411994 559628244 /nfs/dbraw/zinc/62/82/44/559628244.db2.gz GRVNQUBJTOIZAT-GDBMZVCRSA-N 0 3 361.446 2.300 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425541072 559708581 /nfs/dbraw/zinc/70/85/81/559708581.db2.gz FPHYXIHHHXXYAM-SNVBAGLBSA-N 0 3 352.192 2.465 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]2)CC1 ZINC000428257279 559772340 /nfs/dbraw/zinc/77/23/40/559772340.db2.gz AJPSCDSZRYWOPP-UHFFFAOYSA-N 0 3 368.397 2.792 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429309960 559795447 /nfs/dbraw/zinc/79/54/47/559795447.db2.gz SPORHNFNIBLMRV-GFCCVEGCSA-N 0 3 357.366 2.005 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312172 559795592 /nfs/dbraw/zinc/79/55/92/559795592.db2.gz OHAIYUQPNHNOQU-AAEUAGOBSA-N 0 3 371.393 2.393 20 5 FEBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193607 559873247 /nfs/dbraw/zinc/87/32/47/559873247.db2.gz RKZNZSUSUMBSCV-CVEARBPZSA-N 0 3 370.471 2.179 20 5 FEBDHN COc1cc(CN(C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000434746732 559908224 /nfs/dbraw/zinc/90/82/24/559908224.db2.gz JYQXLRKGZIWAIB-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000527387235 562287429 /nfs/dbraw/zinc/28/74/29/562287429.db2.gz ZTYDUYPWVMNGDT-UHFFFAOYSA-N 0 3 350.463 2.284 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@H]1CCO ZINC000438651439 559981845 /nfs/dbraw/zinc/98/18/45/559981845.db2.gz JMJRPGXFZSULJD-CQSZACIVSA-N 0 3 353.444 2.032 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000439000261 559987009 /nfs/dbraw/zinc/98/70/09/559987009.db2.gz WXYHNGSYXATKIJ-UHFFFAOYSA-N 0 3 363.458 2.451 20 5 FEBDHN Cc1cccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440507675 560012903 /nfs/dbraw/zinc/01/29/03/560012903.db2.gz UHRRULFTUDPOHS-HXUWFJFHSA-N 0 3 369.421 2.270 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109467 560044264 /nfs/dbraw/zinc/04/42/64/560044264.db2.gz IOOCZSWKMQCUGI-MCIONIFRSA-N 0 3 355.460 2.240 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443626411 560088915 /nfs/dbraw/zinc/08/89/15/560088915.db2.gz PZIZAUGKKPMHPP-JSGCOSHPSA-N 0 3 350.419 2.085 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000446815710 560152268 /nfs/dbraw/zinc/15/22/68/560152268.db2.gz YCBHYLSFCNANHF-UHFFFAOYSA-N 0 3 372.381 2.112 20 5 FEBDHN CCC[C@@]1(CO)CCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000446896540 560153156 /nfs/dbraw/zinc/15/31/56/560153156.db2.gz OHJXJMXNJCNKNU-SFHVURJKSA-N 0 3 366.414 2.274 20 5 FEBDHN C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)N(C)C ZINC000449554827 560233364 /nfs/dbraw/zinc/23/33/64/560233364.db2.gz DREBTUNPWIGBOT-VIFPVBQESA-N 0 3 363.199 2.239 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985940 560247259 /nfs/dbraw/zinc/24/72/59/560247259.db2.gz NPPFVLDMXPESEW-SJCJKPOMSA-N 0 3 357.414 2.397 20 5 FEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096235 560250650 /nfs/dbraw/zinc/25/06/50/560250650.db2.gz GOCDAFRVMGKSFQ-HIFRSBDPSA-N 0 3 357.414 2.239 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152969 560252326 /nfs/dbraw/zinc/25/23/26/560252326.db2.gz RQZRSXDDZZLIAF-PIGZYNQJSA-N 0 3 355.398 2.197 20 5 FEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1=CCN(C)CC1 ZINC000450755956 560272126 /nfs/dbraw/zinc/27/21/26/560272126.db2.gz JTIVRXATOSJXMZ-CYBMUJFWSA-N 0 3 355.398 2.161 20 5 FEBDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483078 560309797 /nfs/dbraw/zinc/30/97/97/560309797.db2.gz DTTFIUPVOQBIHY-RHSMWYFYSA-N 0 3 365.386 2.055 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451920872 560337584 /nfs/dbraw/zinc/33/75/84/560337584.db2.gz YIQLIAHMIGEHHZ-JKSUJKDBSA-N 0 3 360.458 2.251 20 5 FEBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452010750 560345296 /nfs/dbraw/zinc/34/52/96/560345296.db2.gz FKRPXVSOJPQTHD-SGIREYDYSA-N 0 3 351.403 2.478 20 5 FEBDHN CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000453153027 560384091 /nfs/dbraw/zinc/38/40/91/560384091.db2.gz YDRBAXNIALWPSX-CQSZACIVSA-N 0 3 355.460 2.432 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000457112393 560549903 /nfs/dbraw/zinc/54/99/03/560549903.db2.gz JIIUHUVSFMBDBU-QGZVFWFLSA-N 0 3 357.414 2.335 20 5 FEBDHN C[C@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458890397 560654234 /nfs/dbraw/zinc/65/42/34/560654234.db2.gz OYHXSWOTYJEKAA-WMLDXEAASA-N 0 3 364.446 2.048 20 5 FEBDHN C[C@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458892920 560654470 /nfs/dbraw/zinc/65/44/70/560654470.db2.gz VVRPEDDQLMKGCJ-AWEZNQCLSA-N 0 3 364.446 2.408 20 5 FEBDHN O=C1[C@H](N2CC3(CCC3)[C@H]3COC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656450 560700448 /nfs/dbraw/zinc/70/04/48/560700448.db2.gz DXGJWKZQNVZBEO-GVDBMIGSSA-N 0 3 357.410 2.201 20 5 FEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)Cn2ccnn2)s1 ZINC000459696532 560702772 /nfs/dbraw/zinc/70/27/72/560702772.db2.gz LMKVHSSDPKWNHA-LBPRGKRZSA-N 0 3 359.411 2.066 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750870 560706284 /nfs/dbraw/zinc/70/62/84/560706284.db2.gz HSGUCAKBYGOPTQ-HZPDHXFCSA-N 0 3 363.414 2.479 20 5 FEBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)C1CCN(C)CC1 ZINC000464719991 560849100 /nfs/dbraw/zinc/84/91/00/560849100.db2.gz NOIQBKBKOULDQR-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](CCO)c1ccco1 ZINC000469512024 560956798 /nfs/dbraw/zinc/95/67/98/560956798.db2.gz LUKCCPGOKTYACW-CYBMUJFWSA-N 0 3 361.354 2.199 20 5 FEBDHN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000471132179 560998890 /nfs/dbraw/zinc/99/88/90/560998890.db2.gz VEGNSBOXSDPAAP-XJKSGUPXSA-N 0 3 359.430 2.334 20 5 FEBDHN COc1ccc(CN2CCN(c3ccncc3OC)CC2)cc1[N+](=O)[O-] ZINC000475630622 561101191 /nfs/dbraw/zinc/10/11/91/561101191.db2.gz HMCGAYWQFVSZJQ-UHFFFAOYSA-N 0 3 358.398 2.329 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000475753413 561104342 /nfs/dbraw/zinc/10/43/42/561104342.db2.gz XWBNEPJUVPAGPH-WMZOPIPTSA-N 0 3 350.415 2.227 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497933 562510913 /nfs/dbraw/zinc/51/09/13/562510913.db2.gz YSXSIDVYIWQCDQ-CQSZACIVSA-N 0 3 355.460 2.384 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533498592 562510961 /nfs/dbraw/zinc/51/09/61/562510961.db2.gz XMFQRTFOGJCVEU-CYBMUJFWSA-N 0 3 370.475 2.165 20 5 FEBDHN COc1cccc([C@@H]2[C@@H](NCc3cn(C)nc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000602825950 568046406 /nfs/dbraw/zinc/04/64/06/568046406.db2.gz VBSYVKVJKJBQJC-ZWKOTPCHSA-N 0 3 371.441 2.405 20 5 FEBDHN CC(C)Oc1nc(N2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000568532023 568047343 /nfs/dbraw/zinc/04/73/43/568047343.db2.gz WWNZXFCNNOQYGA-UHFFFAOYSA-N 0 3 364.446 2.326 20 5 FEBDHN CCCN(CCN1CCCCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000569886780 568433852 /nfs/dbraw/zinc/43/38/52/568433852.db2.gz CGNGNYCIITYCEU-UHFFFAOYSA-N 0 3 351.451 2.365 20 5 FEBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927236 568706361 /nfs/dbraw/zinc/70/63/61/568706361.db2.gz VLPTVGWMGLWFSH-SFYZADRCSA-N 0 3 355.338 2.018 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650838 606142889 /nfs/dbraw/zinc/14/28/89/606142889.db2.gz CCUCNLCQVWXFHT-UHFFFAOYSA-N 0 3 372.433 2.379 20 5 FEBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823650838 606142890 /nfs/dbraw/zinc/14/28/90/606142890.db2.gz CCUCNLCQVWXFHT-UHFFFAOYSA-N 0 3 372.433 2.379 20 5 FEBDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826283499 608554271 /nfs/dbraw/zinc/55/42/71/608554271.db2.gz SJGMMOBDJOMSPU-SJKOYZFVSA-N 0 3 368.397 2.468 20 5 FEBDHN CC(COC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[N+](=O)[O-] ZINC000813114282 674721597 /nfs/dbraw/zinc/72/15/97/674721597.db2.gz ORDGMCGWLHABJM-ZDUSSCGKSA-N 0 3 350.371 2.244 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000813108251 674720453 /nfs/dbraw/zinc/72/04/53/674720453.db2.gz WYMPZISQBAYCIY-DGCLKSJQSA-N 0 3 354.790 2.401 20 5 FEBDHN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112833 674720946 /nfs/dbraw/zinc/72/09/46/674720946.db2.gz UJDDMWFJSXYXOC-TZMCWYRMSA-N 0 3 354.428 2.055 20 5 FEBDHN CC(COC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813109886 674720980 /nfs/dbraw/zinc/72/09/80/674720980.db2.gz PYYSVGBVCCJJFE-NSHDSACASA-N 0 3 362.448 2.328 20 5 FEBDHN CC(COC(=O)c1cnn(-c2cccc(Br)c2)c1)[N+](=O)[O-] ZINC000813112201 674721080 /nfs/dbraw/zinc/72/10/80/674721080.db2.gz NREWDHOJQPDHGQ-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055400623 670350359 /nfs/dbraw/zinc/35/03/59/670350359.db2.gz PBOGBOHFRJYMRZ-VXGBXAGGSA-N 0 3 350.375 2.353 20 5 FEBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000570682220 670752791 /nfs/dbraw/zinc/75/27/91/670752791.db2.gz XJKXNUSSCISVDC-UHFFFAOYSA-N 0 3 369.365 2.280 20 5 FEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(Br)c1 ZINC000093434228 670753167 /nfs/dbraw/zinc/75/31/67/670753167.db2.gz GIZMVFQZTPADJA-MWLCHTKSSA-N 0 3 357.208 2.027 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000574328102 671227386 /nfs/dbraw/zinc/22/73/86/671227386.db2.gz SHXRRAHKAHCWFS-STQMWFEESA-N 0 3 371.459 2.097 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609793313 675936491 /nfs/dbraw/zinc/93/64/91/675936491.db2.gz HDQQIVDNWXBMLE-OAHLLOKOSA-N 0 3 369.849 2.360 20 5 FEBDHN CCc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000581604927 671916734 /nfs/dbraw/zinc/91/67/34/671916734.db2.gz FQRUYRFUCYWONS-UHFFFAOYSA-N 0 3 367.471 2.310 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134985 675956269 /nfs/dbraw/zinc/95/62/69/675956269.db2.gz ICEHETOULDFPGK-UONOGXRCSA-N 0 3 355.460 2.397 20 5 FEBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000610447916 675972222 /nfs/dbraw/zinc/97/22/22/675972222.db2.gz PXYHEHIAEZQUKS-CQSZACIVSA-N 0 3 358.320 2.307 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173994992 672357042 /nfs/dbraw/zinc/35/70/42/672357042.db2.gz YRUFUKVYMVVKID-LBPRGKRZSA-N 0 3 361.851 2.353 20 5 FEBDHN COCCN1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000587971919 672443173 /nfs/dbraw/zinc/44/31/73/672443173.db2.gz ICQDJAIRMXRNMU-ZDUSSCGKSA-N 0 3 351.403 2.213 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[C@@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939059 672549248 /nfs/dbraw/zinc/54/92/48/672549248.db2.gz NPVKHZYLZVEJLZ-HZMBPMFUSA-N 0 3 362.304 2.302 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590444955 672583410 /nfs/dbraw/zinc/58/34/10/672583410.db2.gz OLQDDGVOEWUURK-NOZJJQNGSA-N 0 3 354.204 2.133 20 5 FEBDHN COc1cc(CN[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519195 676042224 /nfs/dbraw/zinc/04/22/24/676042224.db2.gz CMRRQXQEXIVKEE-LBPRGKRZSA-N 0 3 359.373 2.431 20 5 FEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000249742659 672874249 /nfs/dbraw/zinc/87/42/49/672874249.db2.gz JUVGYWYLSCHONK-VXGBXAGGSA-N 0 3 350.375 2.353 20 5 FEBDHN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593558032 672942540 /nfs/dbraw/zinc/94/25/40/672942540.db2.gz HNUCVUAQGFGUIZ-UHFFFAOYSA-N 0 3 370.475 2.026 20 5 FEBDHN COc1cc(CNCC2(CO)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000612403992 676080704 /nfs/dbraw/zinc/08/07/04/676080704.db2.gz NLKYFLVZRHQRDH-UHFFFAOYSA-N 0 3 360.357 2.500 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612617005 676090478 /nfs/dbraw/zinc/09/04/78/676090478.db2.gz YJHBLRDACMGTSZ-CYBMUJFWSA-N 0 3 352.366 2.109 20 5 FEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594039563 673024954 /nfs/dbraw/zinc/02/49/54/673024954.db2.gz AFJSPNAMYFLNRY-HOTGVXAUSA-N 0 3 356.444 2.306 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000594198718 673042943 /nfs/dbraw/zinc/04/29/43/673042943.db2.gz VIZVKSPSZAUUCI-KGLIPLIRSA-N 0 3 351.378 2.489 20 5 FEBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749832 673128517 /nfs/dbraw/zinc/12/85/17/673128517.db2.gz AWBWYHRCZMMSEG-MGPQQGTHSA-N 0 3 368.459 2.016 20 5 FEBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000595615403 673273997 /nfs/dbraw/zinc/27/39/97/673273997.db2.gz MGIOOLYHZUICLN-OAHLLOKOSA-N 0 3 371.821 2.218 20 5 FEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500589 673332491 /nfs/dbraw/zinc/33/24/91/673332491.db2.gz MPYMHXMMDOVUOV-INIZCTEOSA-N 0 3 351.378 2.107 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733159663 673401019 /nfs/dbraw/zinc/40/10/19/673401019.db2.gz WBNTYYNLVSIFCF-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274959 673481817 /nfs/dbraw/zinc/48/18/17/673481817.db2.gz BRDIZTIFLNYWLU-ZIAGYGMSSA-N 0 3 358.320 2.436 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000598602259 673588173 /nfs/dbraw/zinc/58/81/73/673588173.db2.gz ILTANDHGYICRAH-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN CN1CCC(NC(=S)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000739437483 673631732 /nfs/dbraw/zinc/63/17/32/673631732.db2.gz NEDYAQOVPLCHKM-UHFFFAOYSA-N 0 3 350.488 2.476 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000543673266 673660562 /nfs/dbraw/zinc/66/05/62/673660562.db2.gz MLWCEKATLYFQAF-TZMCWYRMSA-N 0 3 355.460 2.172 20 5 FEBDHN CC(C)[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572781 673718597 /nfs/dbraw/zinc/71/85/97/673718597.db2.gz OJUGYTQXVQJGGL-XJKSGUPXSA-N 0 3 356.444 2.162 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000601387182 673853186 /nfs/dbraw/zinc/85/31/86/673853186.db2.gz OYWFCQQHYXQXKD-NSHDSACASA-N 0 3 361.489 2.316 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000601437886 673862428 /nfs/dbraw/zinc/86/24/28/673862428.db2.gz WOKRHNYNWQMYOZ-ZIAGYGMSSA-N 0 3 353.419 2.386 20 5 FEBDHN CS(=O)(=O)CCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602692725 673909696 /nfs/dbraw/zinc/90/96/96/673909696.db2.gz ALEINFTZBUTCRP-UHFFFAOYSA-N 0 3 371.278 2.333 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccsc1 ZINC000547730368 673884405 /nfs/dbraw/zinc/88/44/05/673884405.db2.gz RYVPRBIDIQGVRE-CYBMUJFWSA-N 0 3 363.443 2.446 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3nccn3C(F)F)CC2)cn1 ZINC000602525753 673907451 /nfs/dbraw/zinc/90/74/51/673907451.db2.gz ARIGHKHFJIOVGQ-UHFFFAOYSA-N 0 3 352.345 2.340 20 5 FEBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767100 673910563 /nfs/dbraw/zinc/91/05/63/673910563.db2.gz VSJWRVHYDUISJO-ZFWWWQNUSA-N 0 3 351.451 2.117 20 5 FEBDHN O=C(N1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1)C(F)(F)F ZINC000824829791 675624217 /nfs/dbraw/zinc/62/42/17/675624217.db2.gz RBCJUBBYELKWOU-STQMWFEESA-N 0 3 357.332 2.437 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CCN1 ZINC000825148356 675639037 /nfs/dbraw/zinc/63/90/37/675639037.db2.gz UEGFJOVASXBXCU-CQSZACIVSA-N 0 3 366.849 2.035 20 5 FEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959028 675855260 /nfs/dbraw/zinc/85/52/60/675855260.db2.gz KMGXDTXEXGQIGQ-WDEREUQCSA-N 0 3 356.785 2.278 20 5 FEBDHN CS[C@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@@H]1N(C)C ZINC000831299753 679962689 /nfs/dbraw/zinc/96/26/89/679962689.db2.gz MIDAKYKNJDVEDE-QWRGUYRKSA-N 0 3 359.398 2.299 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2cccc(C(F)F)c2)CC1 ZINC000981137392 680217159 /nfs/dbraw/zinc/21/71/59/680217159.db2.gz SCVOTMOQLPZTAA-HUUCEWRRSA-N 0 3 353.369 2.324 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1Cl ZINC000836782886 680513264 /nfs/dbraw/zinc/51/32/64/680513264.db2.gz LIRZAVZFZAOUAT-CYBMUJFWSA-N 0 3 368.865 2.312 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000769706652 680992158 /nfs/dbraw/zinc/99/21/58/680992158.db2.gz CCOFSAKRBKPJFM-UHFFFAOYSA-N 0 3 363.443 2.451 20 5 FEBDHN CC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845874997 681158353 /nfs/dbraw/zinc/15/83/53/681158353.db2.gz KQXBQBFNDKFCHQ-DETPVDSQSA-N 0 3 352.362 2.334 20 5 FEBDHN COCCN1CC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932264552 681209090 /nfs/dbraw/zinc/20/90/90/681209090.db2.gz ZOIQAGSZAYTBON-GFCCVEGCSA-N 0 3 355.822 2.018 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000775999189 681355870 /nfs/dbraw/zinc/35/58/70/681355870.db2.gz HRNWAKXZOXNZRW-KBPBESRZSA-N 0 3 372.878 2.164 20 5 FEBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000780601492 681848742 /nfs/dbraw/zinc/84/87/42/681848742.db2.gz WVZUGEXHIVFDHZ-LLVKDONJSA-N 0 3 350.444 2.486 20 5 FEBDHN COC(=O)COc1ccc(CNCC2SCCS2)cc1[N+](=O)[O-] ZINC000850401937 681898336 /nfs/dbraw/zinc/89/83/36/681898336.db2.gz KIGDBQFXMGBJJH-UHFFFAOYSA-N 0 3 358.441 2.042 20 5 FEBDHN CC(COC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000851037329 682003680 /nfs/dbraw/zinc/00/36/80/682003680.db2.gz SWNSWGQSGZZFDQ-SNVBAGLBSA-N 0 3 356.379 2.174 20 5 FEBDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584642 682304992 /nfs/dbraw/zinc/30/49/92/682304992.db2.gz PJKTVMJCRTXPRT-CUOATXAZSA-N 0 3 353.806 2.468 20 5 FEBDHN CN1CCCC12CCN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC2 ZINC000786798997 682406473 /nfs/dbraw/zinc/40/64/73/682406473.db2.gz HDKXZTBDRAFACO-UHFFFAOYSA-N 0 3 353.444 2.063 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])cc1 ZINC000790014621 682646737 /nfs/dbraw/zinc/64/67/37/682646737.db2.gz JWWCHSDSCPFKHH-UHFFFAOYSA-N 0 3 364.379 2.237 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928434153 683449873 /nfs/dbraw/zinc/44/98/73/683449873.db2.gz HMBSHPOGLRQQGT-RNCFNFMXSA-N 0 3 356.220 2.488 20 5 FEBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823654 683480334 /nfs/dbraw/zinc/48/03/34/683480334.db2.gz AFYPYLFMZOHZRC-GXTWGEPZSA-N 0 3 353.806 2.183 20 5 FEBDHN CN(CCCC(C)(F)F)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000930753366 683780368 /nfs/dbraw/zinc/78/03/68/683780368.db2.gz ZPFYEWYCXAJRFS-UHFFFAOYSA-N 0 3 365.402 2.240 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000867308826 684243992 /nfs/dbraw/zinc/24/39/92/684243992.db2.gz NYLCOQSPVNFTPV-ZYHUDNBSSA-N 0 3 361.851 2.270 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931610390 684312847 /nfs/dbraw/zinc/31/28/47/684312847.db2.gz ONWHGMJRCCYXFW-CYBMUJFWSA-N 0 3 352.366 2.109 20 5 FEBDHN Nc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000931654192 684320900 /nfs/dbraw/zinc/32/09/00/684320900.db2.gz YYQBTHNSGPKTNY-VIFPVBQESA-N 0 3 356.785 2.280 20 5 FEBDHN C[C@H]1[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000924009055 684387604 /nfs/dbraw/zinc/38/76/04/684387604.db2.gz SLJGGJRLFAHWMM-JOYOIKCWSA-N 0 3 371.235 2.249 20 5 FEBDHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000924801536 684494352 /nfs/dbraw/zinc/49/43/52/684494352.db2.gz GCUYMTBESYYFLY-AWEZNQCLSA-N 0 3 366.805 2.155 20 5 FEBDHN CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000869240360 684596480 /nfs/dbraw/zinc/59/64/80/684596480.db2.gz ZPLVZNSRGZRQBM-GFCCVEGCSA-N 0 3 370.247 2.452 20 5 FEBDHN CN1CCN(C2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000879595831 686865471 /nfs/dbraw/zinc/86/54/71/686865471.db2.gz GDPNAPPVIITIFF-UHFFFAOYSA-N 0 3 354.401 2.085 20 5 FEBDHN CSc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859078 688170543 /nfs/dbraw/zinc/17/05/43/688170543.db2.gz SXHHITCDUBBFQV-AWEZNQCLSA-N 0 3 365.455 2.300 20 5 FEBDHN COCCN1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287071 688577642 /nfs/dbraw/zinc/57/76/42/688577642.db2.gz UBPISWVGJSIBFI-NSHDSACASA-N 0 3 356.810 2.399 20 5 FEBDHN CN(C)CCN(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726618 688813043 /nfs/dbraw/zinc/81/30/43/688813043.db2.gz XJFLHODCWMSXPX-UHFFFAOYSA-N 0 3 359.224 2.060 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000890079678 688876150 /nfs/dbraw/zinc/87/61/50/688876150.db2.gz IINSJWPUDHBHJB-UHFFFAOYSA-N 0 3 351.403 2.074 20 5 FEBDHN CC(C)Oc1nc(NC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896523939 689885337 /nfs/dbraw/zinc/88/53/37/689885337.db2.gz CAVKBQUUTIZXLF-AWEZNQCLSA-N 0 3 350.419 2.442 20 5 FEBDHN Cc1c(C)c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164771721 721149916 /nfs/dbraw/zinc/14/99/16/721149916.db2.gz SRGKFOWIDORSPP-SJORKVTESA-N 0 3 370.457 2.298 20 5 FEBDHN COC(=O)c1cc(C(=O)NCc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000015140317 539612944 /nfs/dbraw/zinc/61/29/44/539612944.db2.gz ZVEMCZYCTMFSNS-UHFFFAOYSA-N 0 3 371.393 2.373 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000016599380 539634578 /nfs/dbraw/zinc/63/45/78/539634578.db2.gz ZQMGJXPWCPZNHK-QGZVFWFLSA-N 0 3 371.393 2.414 20 5 FEBDHN CN(C)Cc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000031232392 539902186 /nfs/dbraw/zinc/90/21/86/539902186.db2.gz PACGNWOGSGJWAJ-UHFFFAOYSA-N 0 3 356.382 2.025 20 5 FEBDHN O=C(NCCN1CCc2ccccc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032355277 539934769 /nfs/dbraw/zinc/93/47/69/539934769.db2.gz JNNQKJSEPOZEDI-UHFFFAOYSA-N 0 3 365.393 2.259 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887304 540558697 /nfs/dbraw/zinc/55/86/97/540558697.db2.gz ZIBNWEIZULBUTG-SNVBAGLBSA-N 0 3 373.356 2.419 20 5 FEBDHN CN1CCN(CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000055194119 540634222 /nfs/dbraw/zinc/63/42/22/540634222.db2.gz YNPMHVZUYBQVCA-UHFFFAOYSA-N 0 3 362.474 2.260 20 5 FEBDHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000058737451 540854851 /nfs/dbraw/zinc/85/48/51/540854851.db2.gz FDMZNWMDAPOSNS-UHFFFAOYSA-N 0 3 370.365 2.317 20 5 FEBDHN CNS(=O)(=O)c1ccc(N[C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586743 541246858 /nfs/dbraw/zinc/24/68/58/541246858.db2.gz FHEOGOUHEBVLSS-OLZOCXBDSA-N 0 3 370.475 2.035 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000066270044 541296500 /nfs/dbraw/zinc/29/65/00/541296500.db2.gz JVYGCYPOOZIOBF-INIZCTEOSA-N 0 3 371.393 2.399 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000066662789 541356470 /nfs/dbraw/zinc/35/64/70/541356470.db2.gz UUTMOFFGNHTALD-UHFFFAOYSA-N 0 3 372.429 2.499 20 5 FEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000067785429 541513547 /nfs/dbraw/zinc/51/35/47/541513547.db2.gz UQCHNNRGSBNVNZ-UHFFFAOYSA-N 0 3 356.382 2.108 20 5 FEBDHN COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000067909455 541527878 /nfs/dbraw/zinc/52/78/78/541527878.db2.gz DDTLTDABTMXHPU-KRWDZBQOSA-N 0 3 371.437 2.435 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000068902470 541638292 /nfs/dbraw/zinc/63/82/92/541638292.db2.gz GQTRQYHTKZKBBI-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000068903225 541639471 /nfs/dbraw/zinc/63/94/71/541639471.db2.gz NHUMCARKQJHYAJ-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCCC1 ZINC000070880834 541748667 /nfs/dbraw/zinc/74/86/67/541748667.db2.gz OQQAHSXXYYYVPR-UHFFFAOYSA-N 0 3 363.414 2.360 20 5 FEBDHN CC(C)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000070881768 541748753 /nfs/dbraw/zinc/74/87/53/541748753.db2.gz ATTHLIVRCQAKRZ-UHFFFAOYSA-N 0 3 372.429 2.170 20 5 FEBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544394609 541763916 /nfs/dbraw/zinc/76/39/16/541763916.db2.gz LRYGSGYKBLPNIV-UHFFFAOYSA-N 0 3 361.240 2.441 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)NCCN3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000072937419 541894810 /nfs/dbraw/zinc/89/48/10/541894810.db2.gz OSQKOJLXGPBFLH-UHFFFAOYSA-N 0 3 371.441 2.282 20 5 FEBDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763996 542118236 /nfs/dbraw/zinc/11/82/36/542118236.db2.gz HICHJCGUOOMAHB-UHFFFAOYSA-N 0 3 371.441 2.306 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000075942997 542218126 /nfs/dbraw/zinc/21/81/26/542218126.db2.gz YATBKOSVVFMMDE-UHFFFAOYSA-N 0 3 357.370 2.353 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033240924 208076083 /nfs/dbraw/zinc/07/60/83/208076083.db2.gz BZWVPWVNKAPDQR-UHFFFAOYSA-N 0 3 355.398 2.137 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081128377 542635481 /nfs/dbraw/zinc/63/54/81/542635481.db2.gz SGVSSJNIAJWCMC-KRWDZBQOSA-N 0 3 371.441 2.223 20 5 FEBDHN CCN(C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000091461500 542809198 /nfs/dbraw/zinc/80/91/98/542809198.db2.gz PZVHDGHJYYJCSN-UHFFFAOYSA-N 0 3 351.794 2.158 20 5 FEBDHN Cn1cc(CN2CCCC[C@@H]2CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092588315 542873937 /nfs/dbraw/zinc/87/39/37/542873937.db2.gz PRBKNCVDAJCDLG-MRXNPFEDSA-N 0 3 357.414 2.225 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(CN(C)C)cc1 ZINC000092980188 542899798 /nfs/dbraw/zinc/89/97/98/542899798.db2.gz PRYNQSKLUWBQNJ-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN Cn1cc(CN2CCC(OCCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093694095 542938848 /nfs/dbraw/zinc/93/88/48/542938848.db2.gz DLOHGAITMZHTMR-UHFFFAOYSA-N 0 3 374.441 2.359 20 5 FEBDHN Cn1cc(CN2CCC[C@@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093808450 542941515 /nfs/dbraw/zinc/94/15/15/542941515.db2.gz ITRVUINKZOTQKS-ZDUSSCGKSA-N 0 3 357.414 2.083 20 5 FEBDHN C[N@H+](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000104755785 543142593 /nfs/dbraw/zinc/14/25/93/543142593.db2.gz XWIHOZNZADSVDN-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN C[N@@H+](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000104755785 543142596 /nfs/dbraw/zinc/14/25/96/543142596.db2.gz XWIHOZNZADSVDN-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104529375 543134178 /nfs/dbraw/zinc/13/41/78/543134178.db2.gz ZYALIYSXLUSLEY-UHFFFAOYSA-N 0 3 359.430 2.440 20 5 FEBDHN C[C@@H](O)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000104684194 543137714 /nfs/dbraw/zinc/13/77/14/543137714.db2.gz GHGDALRCBGHDBT-CQSZACIVSA-N 0 3 361.442 2.499 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000106478841 543231470 /nfs/dbraw/zinc/23/14/70/543231470.db2.gz HLXAMIQVSAXPLA-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN CCN1CCN([C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369284 543268245 /nfs/dbraw/zinc/26/82/45/543268245.db2.gz GSXIQYPUSKMCBF-SFHVURJKSA-N 0 3 362.474 2.076 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109987174 543346075 /nfs/dbraw/zinc/34/60/75/543346075.db2.gz IKLDQANEDPJOKK-QWHCGFSZSA-N 0 3 372.425 2.287 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112917563 543467581 /nfs/dbraw/zinc/46/75/81/543467581.db2.gz ZLGZFNOIOZVIKM-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CCOc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000115433017 543566710 /nfs/dbraw/zinc/56/67/10/543566710.db2.gz OTEGSMULDOSHDB-ZDUSSCGKSA-N 0 3 365.430 2.416 20 5 FEBDHN Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000120302942 543678062 /nfs/dbraw/zinc/67/80/62/543678062.db2.gz UPCLJWAGKDYYPJ-HNNXBMFYSA-N 0 3 363.462 2.346 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000123851511 543787181 /nfs/dbraw/zinc/78/71/81/543787181.db2.gz IPIJVSGXYFENOM-UHFFFAOYSA-N 0 3 362.455 2.238 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000125996597 543913065 /nfs/dbraw/zinc/91/30/65/543913065.db2.gz TZEJDXJYMDECSP-ZFWWWQNUSA-N 0 3 357.414 2.111 20 5 FEBDHN CCCNC(=O)CN(CCC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128324842 544046290 /nfs/dbraw/zinc/04/62/90/544046290.db2.gz JILXHBURDGKBNF-UHFFFAOYSA-N 0 3 368.409 2.301 20 5 FEBDHN CS(=O)(=O)N1CCC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130871663 544168476 /nfs/dbraw/zinc/16/84/76/544168476.db2.gz OAICKXCNOWREJV-OAHLLOKOSA-N 0 3 367.471 2.231 20 5 FEBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000131964332 544213563 /nfs/dbraw/zinc/21/35/63/544213563.db2.gz VRDHAHBGKBJOTD-LLVKDONJSA-N 0 3 371.426 2.232 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000135044515 544331989 /nfs/dbraw/zinc/33/19/89/544331989.db2.gz VIDLZFORMYNILK-WBVHZDCISA-N 0 3 371.441 2.160 20 5 FEBDHN COc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000150821768 544475715 /nfs/dbraw/zinc/47/57/15/544475715.db2.gz AMLXQMRAKVEKCC-CYBMUJFWSA-N 0 3 371.459 2.098 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1C ZINC000151624924 544563884 /nfs/dbraw/zinc/56/38/84/544563884.db2.gz ANLFFPFMIORHNY-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000151804117 544582255 /nfs/dbraw/zinc/58/22/55/544582255.db2.gz SZWCPGGXJCKKHG-UHFFFAOYSA-N 0 3 359.423 2.133 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000151854767 544588483 /nfs/dbraw/zinc/58/84/83/544588483.db2.gz IOCCZWAMMZFBQR-UHFFFAOYSA-N 0 3 351.403 2.184 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178948480 327617820 /nfs/dbraw/zinc/61/78/20/327617820.db2.gz NLRYBINELLUPMI-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000183647543 327828351 /nfs/dbraw/zinc/82/83/51/327828351.db2.gz OGBAMULCXUGQGM-UHFFFAOYSA-N 0 3 370.453 2.484 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187460704 328027442 /nfs/dbraw/zinc/02/74/42/328027442.db2.gz AJJDXLVMAIRVQP-INIZCTEOSA-N 0 3 371.441 2.277 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189199813 328134315 /nfs/dbraw/zinc/13/43/15/328134315.db2.gz LDDDHDLZHRIPJX-DOTOQJQBSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053832 328184741 /nfs/dbraw/zinc/18/47/41/328184741.db2.gz CDJONVKUIIBKBA-ZIAGYGMSSA-N 0 3 355.460 2.363 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000191975615 328291394 /nfs/dbraw/zinc/29/13/94/328291394.db2.gz RNCVIKSNHOKDSQ-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079323695 325087064 /nfs/dbraw/zinc/08/70/64/325087064.db2.gz FGCRRIPWVWEXQJ-UHFFFAOYSA-N 0 3 356.426 2.409 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCNCc1cccnc1 ZINC000237812541 328529785 /nfs/dbraw/zinc/52/97/85/328529785.db2.gz HAJCBGNWPNOXTA-UHFFFAOYSA-N 0 3 362.817 2.482 20 5 FEBDHN Cn1cc(CNCCC(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237909891 328533907 /nfs/dbraw/zinc/53/39/07/328533907.db2.gz NXPDTLCGFWKNPX-UHFFFAOYSA-N 0 3 371.441 2.488 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107874090 325636824 /nfs/dbraw/zinc/63/68/24/325636824.db2.gz ZZCFQKIRVZXKQX-MRXNPFEDSA-N 0 3 360.414 2.010 20 5 FEBDHN Cc1nn(C)c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000113091934 325824025 /nfs/dbraw/zinc/82/40/25/325824025.db2.gz QCKFJFDDOHBHES-UHFFFAOYSA-N 0 3 371.441 2.373 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H](Cc2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000116651560 326028638 /nfs/dbraw/zinc/02/86/38/326028638.db2.gz WNFSFKCCUKOJDJ-KRWDZBQOSA-N 0 3 373.457 2.087 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118125923 326084050 /nfs/dbraw/zinc/08/40/50/326084050.db2.gz LOEZKJDPZPEFEY-LBPRGKRZSA-N 0 3 368.821 2.177 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC(C)(C)OC1(C)C ZINC000119729227 326192074 /nfs/dbraw/zinc/19/20/74/326192074.db2.gz UPFAPDGPOKQMGQ-CQSZACIVSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000120112734 326231330 /nfs/dbraw/zinc/23/13/30/326231330.db2.gz OSHYELLGBDBXCB-CYBMUJFWSA-N 0 3 363.462 2.217 20 5 FEBDHN CC1(C)C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000120516162 326265007 /nfs/dbraw/zinc/26/50/07/326265007.db2.gz BCFQUUAPJNWTLA-CQSZACIVSA-N 0 3 356.444 2.304 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000120966029 326302932 /nfs/dbraw/zinc/30/29/32/326302932.db2.gz XESFSNYZTURRJQ-CYBMUJFWSA-N 0 3 362.430 2.141 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122893195 326413167 /nfs/dbraw/zinc/41/31/67/326413167.db2.gz OAYLJFAXEYWIMF-UHFFFAOYSA-N 0 3 372.425 2.264 20 5 FEBDHN CC(C)C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000129486675 326541429 /nfs/dbraw/zinc/54/14/29/326541429.db2.gz LHBGQEFBNFYWKI-AWEZNQCLSA-N 0 3 358.389 2.377 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000146228818 326665482 /nfs/dbraw/zinc/66/54/82/326665482.db2.gz LTCQIWNQFZFJRL-INIZCTEOSA-N 0 3 367.471 2.406 20 5 FEBDHN CN1CCC(Oc2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cn2)CC1 ZINC000154912364 326772241 /nfs/dbraw/zinc/77/22/41/326772241.db2.gz VNMJYFIKAYBJIQ-UHFFFAOYSA-N 0 3 371.397 2.297 20 5 FEBDHN O=C(CN1CCCN(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172347393 327197279 /nfs/dbraw/zinc/19/72/79/327197279.db2.gz PLTWOLINSCCWNU-UHFFFAOYSA-N 0 3 352.822 2.357 20 5 FEBDHN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1OCCN1CCCC1 ZINC000172382957 327198979 /nfs/dbraw/zinc/19/89/79/327198979.db2.gz RLDNQCMBFVWEII-UHFFFAOYSA-N 0 3 373.413 2.213 20 5 FEBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(CC2CCOCC2)CC1 ZINC000172385670 327199119 /nfs/dbraw/zinc/19/91/19/327199119.db2.gz YZDSEZLJVCLQOX-UHFFFAOYSA-N 0 3 372.425 2.261 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000173264335 327245186 /nfs/dbraw/zinc/24/51/86/327245186.db2.gz JCGJSLVKYNZFPP-DGCLKSJQSA-N 0 3 359.423 2.085 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000173328994 327250143 /nfs/dbraw/zinc/25/01/43/327250143.db2.gz CPPSYLAINZTCOT-OAHLLOKOSA-N 0 3 350.806 2.475 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000173669937 327275540 /nfs/dbraw/zinc/27/55/40/327275540.db2.gz KGRGERXCAWANCY-CYBMUJFWSA-N 0 3 371.459 2.098 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173829254 327287198 /nfs/dbraw/zinc/28/71/98/327287198.db2.gz INVPGAXPUYAYOQ-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105440 327306608 /nfs/dbraw/zinc/30/66/08/327306608.db2.gz NESXSZRSCOPVPC-PBHICJAKSA-N 0 3 364.446 2.408 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875435 327357114 /nfs/dbraw/zinc/35/71/14/327357114.db2.gz PSADJZOEOWOLQU-QGZVFWFLSA-N 0 3 362.474 2.076 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174883642 327357819 /nfs/dbraw/zinc/35/78/19/327357819.db2.gz KPZKFQSLRLCJPQ-SFHVURJKSA-N 0 3 362.474 2.205 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000248251196 328712471 /nfs/dbraw/zinc/71/24/71/328712471.db2.gz MBTXNODLNMKWAT-UHFFFAOYSA-N 0 3 354.838 2.239 20 5 FEBDHN COc1ccc(CNC(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264068253 328989681 /nfs/dbraw/zinc/98/96/81/328989681.db2.gz AMJDRDWOQDENOY-UHFFFAOYSA-N 0 3 350.419 2.087 20 5 FEBDHN COC(=O)C1CCN(CCCNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266437392 329222852 /nfs/dbraw/zinc/22/28/52/329222852.db2.gz VJOJWRPWRONKPC-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](N2CC=CC2)C1 ZINC000268100604 329385173 /nfs/dbraw/zinc/38/51/73/329385173.db2.gz DJOPTLBWWNRYPS-CQSZACIVSA-N 0 3 350.806 2.404 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269457582 329521961 /nfs/dbraw/zinc/52/19/61/329521961.db2.gz FIKQNSGIQWUSGP-UHFFFAOYSA-N 0 3 363.336 2.264 20 5 FEBDHN C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674543 329714223 /nfs/dbraw/zinc/71/42/23/329714223.db2.gz ITQGYSQJIVANAM-LRDDRELGSA-N 0 3 352.460 2.392 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273539715 329872928 /nfs/dbraw/zinc/87/29/28/329872928.db2.gz DWNXSIUEZDQGTI-ZDUSSCGKSA-N 0 3 355.460 2.087 20 5 FEBDHN COCCN(C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291404388 330190591 /nfs/dbraw/zinc/19/05/91/330190591.db2.gz BOINUZQCMKWLPT-UHFFFAOYSA-N 0 3 350.202 2.210 20 5 FEBDHN C[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000367206630 330230037 /nfs/dbraw/zinc/23/00/37/330230037.db2.gz RWGKKBAEFMYYRY-IBGZPJMESA-N 0 3 371.441 2.210 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369329542 330240164 /nfs/dbraw/zinc/24/01/64/330240164.db2.gz HURHDISSIUCEOM-YJBOKZPZSA-N 0 3 369.425 2.218 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Cn2ccnn2)CC1 ZINC000155613348 545549317 /nfs/dbraw/zinc/54/93/17/545549317.db2.gz SJVYKUKFDDFZEG-UHFFFAOYSA-N 0 3 372.429 2.236 20 5 FEBDHN CCO[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156005815 545592008 /nfs/dbraw/zinc/59/20/08/545592008.db2.gz PXQRQWPUPVRARX-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN CCN(CCc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159182260 545929388 /nfs/dbraw/zinc/92/93/88/545929388.db2.gz OBECQRSJPNIHGM-AWEZNQCLSA-N 0 3 351.428 2.356 20 5 FEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000478401572 561165970 /nfs/dbraw/zinc/16/59/70/561165970.db2.gz RBCSEPVZKCLPPJ-ZWKOTPCHSA-N 0 3 355.394 2.188 20 5 FEBDHN CCC(=O)c1ccc(NCCCN2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000479965305 561200400 /nfs/dbraw/zinc/20/04/00/561200400.db2.gz PSFSWTZZXBKJCR-CQSZACIVSA-N 0 3 362.430 2.187 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000176668145 546474884 /nfs/dbraw/zinc/47/48/84/546474884.db2.gz OLBLZSUTQBKYOL-LLVKDONJSA-N 0 3 373.862 2.319 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177777112 546684156 /nfs/dbraw/zinc/68/41/56/546684156.db2.gz BDCDRGLEYCXZFL-AEFFLSMTSA-N 0 3 369.425 2.479 20 5 FEBDHN CN1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000481851040 561244026 /nfs/dbraw/zinc/24/40/26/561244026.db2.gz HQKWWQVCLZIASO-RDJZCZTQSA-N 0 3 354.410 2.221 20 5 FEBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000482419990 561253734 /nfs/dbraw/zinc/25/37/34/561253734.db2.gz XWUAHKXPAXHNAJ-UHFFFAOYSA-N 0 3 360.414 2.146 20 5 FEBDHN C[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180416025 547105937 /nfs/dbraw/zinc/10/59/37/547105937.db2.gz TXBQZVDAMANKNZ-YVEFUNNKSA-N 0 3 364.423 2.383 20 5 FEBDHN COc1cnccc1N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000483235696 561271443 /nfs/dbraw/zinc/27/14/43/561271443.db2.gz XLDYEDPKWGUNGA-UHFFFAOYSA-N 0 3 358.398 2.199 20 5 FEBDHN CN(CCN(C)c1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181861909 547393229 /nfs/dbraw/zinc/39/32/29/547393229.db2.gz CZBCYYMXTSJHJL-KRWDZBQOSA-N 0 3 359.426 2.403 20 5 FEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183425073 547656866 /nfs/dbraw/zinc/65/68/66/547656866.db2.gz WSURKEKAYCUQEY-LJQANCHMSA-N 0 3 369.421 2.020 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183897643 547736102 /nfs/dbraw/zinc/73/61/02/547736102.db2.gz YWFFUXDUFQPGRF-NSHDSACASA-N 0 3 371.319 2.369 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000184341167 547810630 /nfs/dbraw/zinc/81/06/30/547810630.db2.gz FQRATFKLVAYSHO-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000485044288 561311233 /nfs/dbraw/zinc/31/12/33/561311233.db2.gz IJDYURHVHPZERN-OAHLLOKOSA-N 0 3 371.393 2.226 20 5 FEBDHN CSc1cccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000486213493 561341240 /nfs/dbraw/zinc/34/12/40/561341240.db2.gz XQDWYCHCCSTOED-CYBMUJFWSA-N 0 3 367.471 2.139 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)N(C)C ZINC000193099187 548380003 /nfs/dbraw/zinc/38/00/03/548380003.db2.gz XXNOCMXWKQJKGG-AWEZNQCLSA-N 0 3 373.475 2.248 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000193948664 548412013 /nfs/dbraw/zinc/41/20/13/548412013.db2.gz VURKMKGUQDNHGN-UHFFFAOYSA-N 0 3 362.430 2.373 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865016 561358503 /nfs/dbraw/zinc/35/85/03/561358503.db2.gz HDHGCXZEAVMGQU-WCQYABFASA-N 0 3 364.402 2.294 20 5 FEBDHN COc1cc(C(=O)N(C)CCN2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000487623296 561372900 /nfs/dbraw/zinc/37/29/00/561372900.db2.gz QUNREHYWZAQUHM-UHFFFAOYSA-N 0 3 373.356 2.373 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245771109 548992323 /nfs/dbraw/zinc/99/23/23/548992323.db2.gz XFJRMUDBQUWWMM-WMLDXEAASA-N 0 3 369.487 2.129 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246129048 549058621 /nfs/dbraw/zinc/05/86/21/549058621.db2.gz REOXSDDYRZLNPN-PBHICJAKSA-N 0 3 357.414 2.434 20 5 FEBDHN COC(=O)c1cc(C)nc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488734729 561395622 /nfs/dbraw/zinc/39/56/22/561395622.db2.gz RPLHDSSHMGKVJI-SLEUVZQESA-N 0 3 362.430 2.251 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261516 550041893 /nfs/dbraw/zinc/04/18/93/550041893.db2.gz ZIWOAMYIMKISSM-GUYCJALGSA-N 0 3 358.442 2.408 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707306 561457781 /nfs/dbraw/zinc/45/77/81/561457781.db2.gz NERQXIOQJPQNTI-WBVHZDCISA-N 0 3 351.403 2.073 20 5 FEBDHN CS[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1N(C)C ZINC000270626360 550290282 /nfs/dbraw/zinc/29/02/82/550290282.db2.gz FJYZHJNSJONULU-KBPBESRZSA-N 0 3 363.443 2.122 20 5 FEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CN(C)CCN1C ZINC000271192400 550350820 /nfs/dbraw/zinc/35/08/20/550350820.db2.gz XUBOVBXONFXVKD-CABCVRRESA-N 0 3 352.504 2.301 20 5 FEBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271300047 550362459 /nfs/dbraw/zinc/36/24/59/550362459.db2.gz GLTUQXAJSNEXHT-UHFFFAOYSA-N 0 3 372.429 2.102 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000271433934 550375057 /nfs/dbraw/zinc/37/50/57/550375057.db2.gz SCITVNPMFGOUJG-GDBMZVCRSA-N 0 3 371.441 2.453 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000271697244 550396213 /nfs/dbraw/zinc/39/62/13/550396213.db2.gz KERYOIXFIZLPCS-CYBMUJFWSA-N 0 3 362.430 2.141 20 5 FEBDHN CN(C)c1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000271928994 550411719 /nfs/dbraw/zinc/41/17/19/550411719.db2.gz HGWXXSVKQVMPHO-UHFFFAOYSA-N 0 3 350.400 2.040 20 5 FEBDHN CN(C)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000271928994 550411721 /nfs/dbraw/zinc/41/17/21/550411721.db2.gz HGWXXSVKQVMPHO-UHFFFAOYSA-N 0 3 350.400 2.040 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000272195834 550427915 /nfs/dbraw/zinc/42/79/15/550427915.db2.gz OLJBHFPPCJCQKK-GFCCVEGCSA-N 0 3 353.394 2.301 20 5 FEBDHN COc1cc(CNC2CCN(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272409206 550445141 /nfs/dbraw/zinc/44/51/41/550445141.db2.gz KOLQVOHWJGKSGS-UHFFFAOYSA-N 0 3 359.373 2.431 20 5 FEBDHN COCCN(C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273993528 550518421 /nfs/dbraw/zinc/51/84/21/550518421.db2.gz XUJTYNBUPNLLCR-UHFFFAOYSA-N 0 3 355.410 2.096 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074433 550628865 /nfs/dbraw/zinc/62/88/65/550628865.db2.gz SWAIDEJKGXFPEI-HOCLYGCPSA-N 0 3 358.442 2.408 20 5 FEBDHN Cc1noc(C[C@H](NCCn2cc([N+](=O)[O-])ccc2=O)c2ccccc2)n1 ZINC000277161835 550638676 /nfs/dbraw/zinc/63/86/76/550638676.db2.gz KFNPTMQBZWICLC-INIZCTEOSA-N 0 3 369.381 2.022 20 5 FEBDHN CN1CCC(O)(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000278261302 550766433 /nfs/dbraw/zinc/76/64/33/550766433.db2.gz XDPNOPYDCHUKRT-UHFFFAOYSA-N 0 3 365.433 2.280 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000278319894 550772391 /nfs/dbraw/zinc/77/23/91/550772391.db2.gz AERUUOISHUMFSC-SZTZYQKNSA-N 0 3 359.426 2.320 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000278388157 550780036 /nfs/dbraw/zinc/78/00/36/550780036.db2.gz CQXKJOVJPOYZCS-CQSZACIVSA-N 0 3 374.441 2.236 20 5 FEBDHN CC(C)N1CCN(C2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000278430109 550785266 /nfs/dbraw/zinc/78/52/66/550785266.db2.gz JIDWZDWMKHJARF-UHFFFAOYSA-N 0 3 372.473 2.466 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)[C@H]3CCOC3)cs2)c1 ZINC000280298793 550978102 /nfs/dbraw/zinc/97/81/02/550978102.db2.gz NGUVAKWTKWGMDN-UONOGXRCSA-N 0 3 363.439 2.453 20 5 FEBDHN O=C(CN[C@H]1CCCC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282036506 551172689 /nfs/dbraw/zinc/17/26/89/551172689.db2.gz LFEJRONWMSIZSD-KRWDZBQOSA-N 0 3 359.426 2.423 20 5 FEBDHN CN1CCN(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000282683970 551259417 /nfs/dbraw/zinc/25/94/17/551259417.db2.gz LIYOHRRSDNFDJS-UHFFFAOYSA-N 0 3 369.853 2.396 20 5 FEBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC2CC2)CC1 ZINC000282725336 551263933 /nfs/dbraw/zinc/26/39/33/551263933.db2.gz HZDZRFHMVKUMIQ-UHFFFAOYSA-N 0 3 356.430 2.405 20 5 FEBDHN O=C(CCN1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157258 551320870 /nfs/dbraw/zinc/32/08/70/551320870.db2.gz CTLRIEYBOSKLSG-GXTWGEPZSA-N 0 3 361.320 2.311 20 5 FEBDHN CN1CCO[C@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000283950560 551455811 /nfs/dbraw/zinc/45/58/11/551455811.db2.gz AOKXOEKFDOIOCC-SJORKVTESA-N 0 3 372.425 2.197 20 5 FEBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CC2)CC1 ZINC000284332849 551526060 /nfs/dbraw/zinc/52/60/60/551526060.db2.gz IUJSMKMWYXQJKI-UHFFFAOYSA-N 0 3 356.430 2.405 20 5 FEBDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000284650078 551598583 /nfs/dbraw/zinc/59/85/83/551598583.db2.gz KWNMZXXBULBNRI-UHFFFAOYSA-N 0 3 358.398 2.326 20 5 FEBDHN CN1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000284836833 551646901 /nfs/dbraw/zinc/64/69/01/551646901.db2.gz NFCODTQVTLHHQM-IAGOWNOFSA-N 0 3 358.398 2.155 20 5 FEBDHN COC(=O)c1cc(C)nc(N(C)C2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000286186650 551858768 /nfs/dbraw/zinc/85/87/68/551858768.db2.gz QPHMWGUKDVDGLQ-UHFFFAOYSA-N 0 3 350.419 2.394 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275308 551984106 /nfs/dbraw/zinc/98/41/06/551984106.db2.gz SMHOVQVXXRMKKK-ZBFHGGJFSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275305 551984233 /nfs/dbraw/zinc/98/42/33/551984233.db2.gz SMHOVQVXXRMKKK-HOCLYGCPSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364204 551994816 /nfs/dbraw/zinc/99/48/16/551994816.db2.gz WWOTWZRVNAOUAC-GWCFXTLKSA-N 0 3 361.427 2.298 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000288489862 552162095 /nfs/dbraw/zinc/16/20/95/552162095.db2.gz RMWVKBPFGUWFAO-LJQANCHMSA-N 0 3 369.425 2.067 20 5 FEBDHN CC(C)(O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289417574 552318056 /nfs/dbraw/zinc/31/80/56/552318056.db2.gz CGPMSMXITZNRGH-UHFFFAOYSA-N 0 3 364.183 2.450 20 5 FEBDHN COCCN(CCN(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289574080 552343182 /nfs/dbraw/zinc/34/31/82/552343182.db2.gz ZYFZXEIYWAEEKT-UHFFFAOYSA-N 0 3 361.446 2.005 20 5 FEBDHN COc1cc(CN(C)CCC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289849027 552388700 /nfs/dbraw/zinc/38/87/00/552388700.db2.gz UWOGLHGHBVHFGV-UHFFFAOYSA-N 0 3 373.409 2.490 20 5 FEBDHN NC(=O)c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000290469749 552483898 /nfs/dbraw/zinc/48/38/98/552483898.db2.gz GNUWDFRYCGFOGJ-UHFFFAOYSA-N 0 3 355.398 2.165 20 5 FEBDHN CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000290753100 552532154 /nfs/dbraw/zinc/53/21/54/552532154.db2.gz JASSRDLVTKWWOC-HNNXBMFYSA-N 0 3 369.425 2.190 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCNC2=O)cc1 ZINC000291345143 552616844 /nfs/dbraw/zinc/61/68/44/552616844.db2.gz XEYMPJPYRBAGBD-CYBMUJFWSA-N 0 3 358.402 2.062 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1SC ZINC000292382695 552721597 /nfs/dbraw/zinc/72/15/97/552721597.db2.gz XMLSGKGVHFNDKE-KRWDZBQOSA-N 0 3 365.455 2.493 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1F ZINC000292856220 552765659 /nfs/dbraw/zinc/76/56/59/552765659.db2.gz QYKAVMMYYGTYCU-MRXNPFEDSA-N 0 3 371.434 2.149 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295426170 553005153 /nfs/dbraw/zinc/00/51/53/553005153.db2.gz XISUWHVSKXVDDK-NWDGAFQWSA-N 0 3 351.378 2.441 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000298075643 553380885 /nfs/dbraw/zinc/38/08/85/553380885.db2.gz JTZSRRXUDIJCOH-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299025459 553505241 /nfs/dbraw/zinc/50/52/41/553505241.db2.gz OALSGMGYEURUHF-UHFFFAOYSA-N 0 3 373.457 2.224 20 5 FEBDHN CC(C)N(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000503982476 561651292 /nfs/dbraw/zinc/65/12/92/561651292.db2.gz MFJCYGIYAHCUMH-UHFFFAOYSA-N 0 3 361.439 2.473 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000299378522 553555471 /nfs/dbraw/zinc/55/54/71/553555471.db2.gz WCYSDWRVVFKCNF-OAHLLOKOSA-N 0 3 355.398 2.111 20 5 FEBDHN CCN1CCN(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299388978 553556508 /nfs/dbraw/zinc/55/65/08/553556508.db2.gz DHAOYACLBVRRPS-UHFFFAOYSA-N 0 3 370.457 2.410 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301085687 553620805 /nfs/dbraw/zinc/62/08/05/553620805.db2.gz JEFJXODSSXEFGA-NSHDSACASA-N 0 3 352.391 2.448 20 5 FEBDHN COc1cccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N(C)C)c1 ZINC000301834566 553683866 /nfs/dbraw/zinc/68/38/66/553683866.db2.gz KLSPIFJBPYKYOA-CQSZACIVSA-N 0 3 356.386 2.361 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NCC2(N(C)C)CCCC2)c1[N+](=O)[O-] ZINC000331158122 554223124 /nfs/dbraw/zinc/22/31/24/554223124.db2.gz ZHYKNIZUCASIRC-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000509006578 561781212 /nfs/dbraw/zinc/78/12/12/561781212.db2.gz YVMPEWNSHVYCHF-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN CC1(C)C[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021948 554365148 /nfs/dbraw/zinc/36/51/48/554365148.db2.gz RCCSOYLWEISQLW-BLLLJJGKSA-N 0 3 367.471 2.331 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1C ZINC000332088412 554377776 /nfs/dbraw/zinc/37/77/76/554377776.db2.gz UAEISEABJQPPSR-GDBMZVCRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000332091773 554378736 /nfs/dbraw/zinc/37/87/36/554378736.db2.gz VVGJFHZTCWEVPU-GOEBONIOSA-N 0 3 367.471 2.459 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000510739027 561844984 /nfs/dbraw/zinc/84/49/84/561844984.db2.gz BHZUTSBWNMBNCX-LBPRGKRZSA-N 0 3 363.414 2.382 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000511020421 561854196 /nfs/dbraw/zinc/85/41/96/561854196.db2.gz VIZKSYCJRLZNTK-WQVCFCJDSA-N 0 3 360.414 2.055 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000359960277 554857470 /nfs/dbraw/zinc/85/74/70/554857470.db2.gz ZGSOYHZPIFKXTE-LBPRGKRZSA-N 0 3 359.835 2.107 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853515 554893079 /nfs/dbraw/zinc/89/30/79/554893079.db2.gz YBZJFZAGLISLML-RDJZCZTQSA-N 0 3 360.458 2.001 20 5 FEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141084 554905840 /nfs/dbraw/zinc/90/58/40/554905840.db2.gz IJYFXULWXOKXSA-ZFWWWQNUSA-N 0 3 357.414 2.045 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000361491483 554921817 /nfs/dbraw/zinc/92/18/17/554921817.db2.gz VIDLZFORMYNILK-DOTOQJQBSA-N 0 3 371.441 2.160 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290414 554961134 /nfs/dbraw/zinc/96/11/34/554961134.db2.gz RODBERZZWFBKRK-IUODEOHRSA-N 0 3 362.386 2.286 20 5 FEBDHN CC(C)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000362736920 554985548 /nfs/dbraw/zinc/98/55/48/554985548.db2.gz PHHREKIGCQQDMZ-UHFFFAOYSA-N 0 3 350.375 2.307 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(n2cccn2)CC1 ZINC000362968040 555003750 /nfs/dbraw/zinc/00/37/50/555003750.db2.gz YOHFUHFAVHFROY-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511752640 561879652 /nfs/dbraw/zinc/87/96/52/561879652.db2.gz ACIQPXIPCPXNCO-MRXNPFEDSA-N 0 3 371.441 2.359 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422735 555101862 /nfs/dbraw/zinc/10/18/62/555101862.db2.gz IXHGJUNWTZJYLY-UPJWGTAASA-N 0 3 353.444 2.276 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000363732843 555174677 /nfs/dbraw/zinc/17/46/77/555174677.db2.gz DEHRGDDBHWNBPK-HOTGVXAUSA-N 0 3 359.357 2.309 20 5 FEBDHN N[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364195279 555267395 /nfs/dbraw/zinc/26/73/95/555267395.db2.gz MBKJHXVUZPPRHY-GJZGRUSLSA-N 0 3 358.373 2.099 20 5 FEBDHN Cc1c(NC(=O)C(=O)N2CCCN(CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000364836480 555411596 /nfs/dbraw/zinc/41/15/96/555411596.db2.gz BQZMRUYMSHLESW-UHFFFAOYSA-N 0 3 362.430 2.032 20 5 FEBDHN Cc1nn(C)c(C(=O)N2CCc3c2cccc3CN2CCCC2)c1[N+](=O)[O-] ZINC000365825656 555676134 /nfs/dbraw/zinc/67/61/34/555676134.db2.gz PPDQKZKBIFEXOW-UHFFFAOYSA-N 0 3 369.425 2.435 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674192 556111056 /nfs/dbraw/zinc/11/10/56/556111056.db2.gz UNWUHVWETUYCHG-HNNXBMFYSA-N 0 3 373.457 2.195 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000367838562 556151807 /nfs/dbraw/zinc/15/18/07/556151807.db2.gz FVXUCNXDXHRWJY-INIZCTEOSA-N 0 3 355.797 2.484 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105540 556220490 /nfs/dbraw/zinc/22/04/90/556220490.db2.gz TUCLQPDXZGLHSJ-DYVFJYSZSA-N 0 3 352.398 2.288 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105540 556220493 /nfs/dbraw/zinc/22/04/93/556220493.db2.gz TUCLQPDXZGLHSJ-DYVFJYSZSA-N 0 3 352.398 2.288 20 5 FEBDHN C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000515134430 561997519 /nfs/dbraw/zinc/99/75/19/561997519.db2.gz QJSUKLQHLYEPKJ-AWEZNQCLSA-N 0 3 362.430 2.099 20 5 FEBDHN Cc1cc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000368328506 556279589 /nfs/dbraw/zinc/27/95/89/556279589.db2.gz PQZLRJQQWSGJPF-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@@H]2CCCOC2)CC1 ZINC000368612461 556362374 /nfs/dbraw/zinc/36/23/74/556362374.db2.gz KPJCJUVBJPDDIH-SJORKVTESA-N 0 3 364.442 2.473 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000368615159 556363819 /nfs/dbraw/zinc/36/38/19/556363819.db2.gz RUXGASYMAHIHRE-BRWVUGGUSA-N 0 3 364.442 2.473 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000369120826 556509704 /nfs/dbraw/zinc/50/97/04/556509704.db2.gz ZBVDSWYSFZUIJI-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000369855101 556713516 /nfs/dbraw/zinc/71/35/16/556713516.db2.gz CKKAFCKCBMSSRC-GOSISDBHSA-N 0 3 363.414 2.193 20 5 FEBDHN O=C(Nc1cccc(F)c1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000370028069 556761645 /nfs/dbraw/zinc/76/16/45/556761645.db2.gz PGKMQRMHXSSAMQ-UHFFFAOYSA-N 0 3 361.377 2.281 20 5 FEBDHN COc1ccc(OCCN2CCC(c3n[nH]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000370377624 556854708 /nfs/dbraw/zinc/85/47/08/556854708.db2.gz TVOAUPUTTCATKB-UHFFFAOYSA-N 0 3 361.402 2.288 20 5 FEBDHN COc1ccc(OCCN2CCC(c3nc(C)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000370377624 556854712 /nfs/dbraw/zinc/85/47/12/556854712.db2.gz TVOAUPUTTCATKB-UHFFFAOYSA-N 0 3 361.402 2.288 20 5 FEBDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000370426151 556869125 /nfs/dbraw/zinc/86/91/25/556869125.db2.gz WBRXUJVSKAFNSU-QGZVFWFLSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503407 556893026 /nfs/dbraw/zinc/89/30/26/556893026.db2.gz SJKKRDCHOYXXNS-HNNXBMFYSA-N 0 3 355.394 2.493 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689123 556940777 /nfs/dbraw/zinc/94/07/77/556940777.db2.gz KBGVKHFOBRDKAV-QZTJIDSGSA-N 0 3 374.441 2.132 20 5 FEBDHN COC1CCN(C2(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)CCCC2)CC1 ZINC000517408748 562089041 /nfs/dbraw/zinc/08/90/41/562089041.db2.gz CYHIAHGUXMJUJI-UHFFFAOYSA-N 0 3 350.419 2.076 20 5 FEBDHN CN1CCC(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)CC1 ZINC000372529570 557494264 /nfs/dbraw/zinc/49/42/64/557494264.db2.gz RSTQAMKMFSINNV-HKUYNNGSSA-N 0 3 372.469 2.336 20 5 FEBDHN O=C(CCNC1(CO)Cc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372598993 557516608 /nfs/dbraw/zinc/51/66/08/557516608.db2.gz JDYCYPAZPPQCER-UHFFFAOYSA-N 0 3 373.384 2.182 20 5 FEBDHN O=C(CCN1CCC[C@@H](c2nnc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372602075 557517618 /nfs/dbraw/zinc/51/76/18/557517618.db2.gz VMJSPHLSQNCRNR-LLVKDONJSA-N 0 3 362.365 2.060 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000373050398 557617081 /nfs/dbraw/zinc/61/70/81/557617081.db2.gz XYAKDZQUNNHSHT-OAHLLOKOSA-N 0 3 359.474 2.027 20 5 FEBDHN C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000520072024 562149005 /nfs/dbraw/zinc/14/90/05/562149005.db2.gz RKTUHTUPTRZBTQ-OAHLLOKOSA-N 0 3 363.462 2.426 20 5 FEBDHN CN1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374319341 557864681 /nfs/dbraw/zinc/86/46/81/557864681.db2.gz XQBGOMLWAGOAKR-CVEARBPZSA-N 0 3 355.394 2.188 20 5 FEBDHN O=C(NC[C@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375963681 558106112 /nfs/dbraw/zinc/10/61/12/558106112.db2.gz KQLCNLYWIDFJLW-MRXNPFEDSA-N 0 3 356.338 2.120 20 5 FEBDHN Cc1c(C(=O)NC[C@H]2NCCc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375989025 558110464 /nfs/dbraw/zinc/11/04/64/558110464.db2.gz HRRQSOCXIZRHQT-MRXNPFEDSA-N 0 3 370.365 2.428 20 5 FEBDHN CCc1cc(N[C@@H]2CCN(CCOC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521667054 562181621 /nfs/dbraw/zinc/18/16/21/562181621.db2.gz PHKJNXYAXWNDDO-MRXNPFEDSA-N 0 3 371.441 2.169 20 5 FEBDHN CCN1CCC(N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)CC1 ZINC000378300772 558524149 /nfs/dbraw/zinc/52/41/49/558524149.db2.gz ZIQQXDPLMUIYAJ-UHFFFAOYSA-N 0 3 372.469 2.433 20 5 FEBDHN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn(CCN2CCCCC2)c1 ZINC000378383420 558544826 /nfs/dbraw/zinc/54/48/26/558544826.db2.gz JRKRXIGBDXTIJG-UHFFFAOYSA-N 0 3 373.413 2.295 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1C ZINC000408059540 558641812 /nfs/dbraw/zinc/64/18/12/558641812.db2.gz QKJXXEQCYMNTKH-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@@H](O)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067365 562223656 /nfs/dbraw/zinc/22/36/56/562223656.db2.gz MQWIYUXZSSLWKQ-SJKOYZFVSA-N 0 3 362.382 2.350 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000408340606 558668840 /nfs/dbraw/zinc/66/88/40/558668840.db2.gz WPCNORUWBFECKS-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524737078 562233444 /nfs/dbraw/zinc/23/34/44/562233444.db2.gz FPKFBPZPJNBACQ-JSGCOSHPSA-N 0 3 357.414 2.208 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411228692 558856830 /nfs/dbraw/zinc/85/68/30/558856830.db2.gz RMNSCVIENLSVID-KBPBESRZSA-N 0 3 362.430 2.221 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000525493428 562249312 /nfs/dbraw/zinc/24/93/12/562249312.db2.gz ZXUGQYBRRADAGL-IBGZPJMESA-N 0 3 370.409 2.353 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000411598343 558926648 /nfs/dbraw/zinc/92/66/48/558926648.db2.gz XEVKOMUHTLNGJS-UHFFFAOYSA-N 0 3 362.430 2.141 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC2CCN(C)CC2)c1F ZINC000412015417 559002592 /nfs/dbraw/zinc/00/25/92/559002592.db2.gz SKGSXUOAJLWBPG-UHFFFAOYSA-N 0 3 353.394 2.085 20 5 FEBDHN O=C(CCN1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412059232 559007926 /nfs/dbraw/zinc/00/79/26/559007926.db2.gz WTYDXBSLWGOIEG-OAHLLOKOSA-N 0 3 374.441 2.400 20 5 FEBDHN COc1ccc(OCCN(C)C(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000412093275 559012856 /nfs/dbraw/zinc/01/28/56/559012856.db2.gz OFWXNRAARCFFIE-UHFFFAOYSA-N 0 3 367.446 2.025 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1F ZINC000412122676 559015764 /nfs/dbraw/zinc/01/57/64/559015764.db2.gz GRMNLQBLRWLOEK-WCQYABFASA-N 0 3 353.394 2.084 20 5 FEBDHN CCN1CCC[C@H]1CN(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412165235 559017769 /nfs/dbraw/zinc/01/77/69/559017769.db2.gz UKJNBJMMTAETTB-LBPRGKRZSA-N 0 3 353.394 2.228 20 5 FEBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328563 559028095 /nfs/dbraw/zinc/02/80/95/559028095.db2.gz CCEFNYDNQWCGHU-YPMHNXCESA-N 0 3 361.402 2.484 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1F ZINC000412343907 559029297 /nfs/dbraw/zinc/02/92/97/559029297.db2.gz WPFUQEVICJDNBF-CHWSQXEVSA-N 0 3 365.405 2.370 20 5 FEBDHN CN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000413062448 559073941 /nfs/dbraw/zinc/07/39/41/559073941.db2.gz RBTZXCGHIADEPG-UHFFFAOYSA-N 0 3 359.405 2.488 20 5 FEBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000413527544 559114192 /nfs/dbraw/zinc/11/41/92/559114192.db2.gz FINDPUMLDHOCPK-SJLPKXTDSA-N 0 3 371.441 2.642 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1F ZINC000413630163 559121469 /nfs/dbraw/zinc/12/14/69/559121469.db2.gz KIRGPNWCEHBMDH-TZMCWYRMSA-N 0 3 365.405 2.228 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C2=CCN(C)CC2)c1F ZINC000413722110 559126987 /nfs/dbraw/zinc/12/69/87/559126987.db2.gz PIGJZKXEXYNGJK-NSHDSACASA-N 0 3 351.378 2.052 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416412179 559311120 /nfs/dbraw/zinc/31/11/20/559311120.db2.gz MCQPGUAEVQBCGS-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000417234921 559354127 /nfs/dbraw/zinc/35/41/27/559354127.db2.gz QNMCLDKRUDBSII-SFHVURJKSA-N 0 3 354.410 2.324 20 5 FEBDHN CCOCCOC[C@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319370 559357288 /nfs/dbraw/zinc/35/72/88/559357288.db2.gz BYSRZNQGWSJHAJ-SJLPKXTDSA-N 0 3 352.431 2.366 20 5 FEBDHN CC[C@H](CNS(C)(=O)=O)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325274 559357727 /nfs/dbraw/zinc/35/77/27/559357727.db2.gz BOZOPNGKBYDCFK-CJNGLKHVSA-N 0 3 355.460 2.280 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420394858 559485215 /nfs/dbraw/zinc/48/52/15/559485215.db2.gz SDRIPGGGSCGIJI-DLBZAZTESA-N 0 3 372.400 2.408 20 5 FEBDHN CN(C(=O)CN1CCNC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000420410888 559486268 /nfs/dbraw/zinc/48/62/68/559486268.db2.gz RMSUCKBWHNUNMM-GOSISDBHSA-N 0 3 354.410 2.204 20 5 FEBDHN CC(C)(C)[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420447009 559487844 /nfs/dbraw/zinc/48/78/44/559487844.db2.gz IOXKLYKEPYATLU-LLVKDONJSA-N 0 3 369.365 2.265 20 5 FEBDHN COC1([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000421028656 559520743 /nfs/dbraw/zinc/52/07/43/559520743.db2.gz HSCRDBWPEQBLNN-LLVKDONJSA-N 0 3 371.821 2.360 20 5 FEBDHN CCOc1cc(C(=O)N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000421699503 559549615 /nfs/dbraw/zinc/54/96/15/559549615.db2.gz BJXXUSBRGKUPEA-LBPRGKRZSA-N 0 3 351.403 2.168 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421714798 559550607 /nfs/dbraw/zinc/55/06/07/559550607.db2.gz WKIXWFMYJWZRKZ-CQSZACIVSA-N 0 3 367.471 2.500 20 5 FEBDHN CN(C[C@H]1CCCN1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000422034017 559561882 /nfs/dbraw/zinc/56/18/82/559561882.db2.gz ISRZYPKUSDSPAQ-CYBMUJFWSA-N 0 3 358.398 2.074 20 5 FEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2ccc(N3CCNCC3)cn2)n1 ZINC000423224268 559623207 /nfs/dbraw/zinc/62/32/07/559623207.db2.gz BOZZEBYTYRTOBJ-HOTGVXAUSA-N 0 3 371.445 2.192 20 5 FEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2ccc(N3CCNCC3)cn2)n1 ZINC000423224267 559623259 /nfs/dbraw/zinc/62/32/59/559623259.db2.gz BOZZEBYTYRTOBJ-CVEARBPZSA-N 0 3 371.445 2.192 20 5 FEBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429629 559702007 /nfs/dbraw/zinc/70/20/07/559702007.db2.gz AFABFWSCUYGBQZ-NWDGAFQWSA-N 0 3 356.220 2.491 20 5 FEBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425548546 559709244 /nfs/dbraw/zinc/70/92/44/559709244.db2.gz NBAPICSUOKJQKO-CMPLNLGQSA-N 0 3 355.358 2.313 20 5 FEBDHN CN(C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000428051323 559768574 /nfs/dbraw/zinc/76/85/74/559768574.db2.gz YNEIVICBNCHNLW-CYBMUJFWSA-N 0 3 358.398 2.074 20 5 FEBDHN CCOc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000429016841 559788582 /nfs/dbraw/zinc/78/85/82/559788582.db2.gz BJBDCTABGFXPLX-UHFFFAOYSA-N 0 3 371.397 2.050 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000436441394 559941758 /nfs/dbraw/zinc/94/17/58/559941758.db2.gz YBOHVJDNMIOTHS-JKSUJKDBSA-N 0 3 365.455 2.397 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1C ZINC000445081100 560128372 /nfs/dbraw/zinc/12/83/72/560128372.db2.gz NRHMMDQAAWNDNR-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231848 /nfs/dbraw/zinc/23/18/48/560231848.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 0 3 374.485 2.361 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449871612 560243422 /nfs/dbraw/zinc/24/34/22/560243422.db2.gz TWXCEGVZJNOTTP-CQSZACIVSA-N 0 3 357.414 2.194 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000450467175 560263362 /nfs/dbraw/zinc/26/33/62/560263362.db2.gz CLOCUJIRGHNEMH-ZDUSSCGKSA-N 0 3 374.441 2.433 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451483939 560309667 /nfs/dbraw/zinc/30/96/67/560309667.db2.gz YVRPRORTBARDDR-JLZZUVOBSA-N 0 3 363.414 2.335 20 5 FEBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836865 560331544 /nfs/dbraw/zinc/33/15/44/560331544.db2.gz HCWHOUZCVOCXHK-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1ccc(NC(=O)CNC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000452096540 560351106 /nfs/dbraw/zinc/35/11/06/560351106.db2.gz NZYGVLYDMUZVGR-UHFFFAOYSA-N 0 3 350.419 2.006 20 5 FEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN(C2CC2)C1 ZINC000452164450 560354200 /nfs/dbraw/zinc/35/42/00/560354200.db2.gz NVGZPUBEGFDBPC-AWEZNQCLSA-N 0 3 369.425 2.337 20 5 FEBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296486 560385486 /nfs/dbraw/zinc/38/54/86/560385486.db2.gz YYONZFJFVJVLOJ-IAQYHMDHSA-N 0 3 355.460 2.235 20 5 FEBDHN CNc1nc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000455103081 560470249 /nfs/dbraw/zinc/47/02/49/560470249.db2.gz QOAHHAKEHHPFHK-INIZCTEOSA-N 0 3 357.414 2.373 20 5 FEBDHN C[C@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000455342098 560478877 /nfs/dbraw/zinc/47/88/77/560478877.db2.gz VNSYGXLSGZTOIT-ZDUSSCGKSA-N 0 3 372.429 2.941 20 5 FEBDHN CNc1nc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455636826 560490100 /nfs/dbraw/zinc/49/01/00/560490100.db2.gz IIUVZJKDWNPUFA-UHFFFAOYSA-N 0 3 373.413 2.361 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456704362 560529808 /nfs/dbraw/zinc/52/98/08/560529808.db2.gz XYGCNIXVKZXVMW-UHFFFAOYSA-N 0 3 351.451 2.301 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000457105484 560549082 /nfs/dbraw/zinc/54/90/82/560549082.db2.gz CMOXRAQIPQONPP-HNNXBMFYSA-N 0 3 357.414 2.335 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000457128053 560551448 /nfs/dbraw/zinc/55/14/48/560551448.db2.gz RVXPMQZDOSUVAH-CYBMUJFWSA-N 0 3 351.403 2.167 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457132346 560551878 /nfs/dbraw/zinc/55/18/78/560551878.db2.gz URRSBNOGIVNNND-MRXNPFEDSA-N 0 3 372.429 2.039 20 5 FEBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457381261 560564253 /nfs/dbraw/zinc/56/42/53/560564253.db2.gz QMZZPSDPULJUPJ-CQSZACIVSA-N 0 3 360.418 2.233 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2COCC[C@@H]21 ZINC000464858489 560853571 /nfs/dbraw/zinc/85/35/71/560853571.db2.gz WWJBHZTULRILPL-BBRMVZONSA-N 0 3 363.414 2.433 20 5 FEBDHN CCOC(=O)Cn1nc(C)c(CNCCc2ccccc2[N+](=O)[O-])c1C ZINC000468005053 560921018 /nfs/dbraw/zinc/92/10/18/560921018.db2.gz NZDOPINLVQRMPE-UHFFFAOYSA-N 0 3 360.414 2.304 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H]2N(C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000468459028 560930487 /nfs/dbraw/zinc/93/04/87/560930487.db2.gz NFGFTCWMBHCRNM-AWEZNQCLSA-N 0 3 351.451 2.035 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)NCC1CCC1 ZINC000468642875 560934837 /nfs/dbraw/zinc/93/48/37/560934837.db2.gz VANAPOZJKSESQI-GXDHUFHOSA-N 0 3 367.471 2.307 20 5 FEBDHN CN(C)Cc1ccc(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472731520 561034055 /nfs/dbraw/zinc/03/40/55/561034055.db2.gz LNXJNQURWGXTIN-UHFFFAOYSA-N 0 3 360.345 2.373 20 5 FEBDHN CCOC(=O)C1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000473053592 561041310 /nfs/dbraw/zinc/04/13/10/561041310.db2.gz ATBKJISBNGFQSU-UHFFFAOYSA-N 0 3 358.398 2.428 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccsc1 ZINC000473173836 561043524 /nfs/dbraw/zinc/04/35/24/561043524.db2.gz VQGAJPPQVJFEJI-AWEZNQCLSA-N 0 3 365.411 2.317 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370624 561072394 /nfs/dbraw/zinc/07/23/94/561072394.db2.gz LAAANFOSCCYNAR-HUUCEWRRSA-N 0 3 352.387 2.050 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000475579601 561100239 /nfs/dbraw/zinc/10/02/39/561100239.db2.gz WGRLWORLEJKOQF-HNNXBMFYSA-N 0 3 364.446 2.426 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000477021438 561134402 /nfs/dbraw/zinc/13/44/02/561134402.db2.gz AIAANPGTIMVSSS-GOEBONIOSA-N 0 3 371.441 2.453 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC1CCCCCC1 ZINC000530773733 562423598 /nfs/dbraw/zinc/42/35/98/562423598.db2.gz VABWMIZUYIEAHN-UHFFFAOYSA-N 0 3 355.460 2.433 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628728 562452105 /nfs/dbraw/zinc/45/21/05/562452105.db2.gz PVLZJLHKTFNUSY-UHFFFAOYSA-N 0 3 364.352 2.472 20 5 FEBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000533047758 562496722 /nfs/dbraw/zinc/49/67/22/562496722.db2.gz MRBDDPDXMKVMHL-CYBMUJFWSA-N 0 3 357.414 2.284 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2nccn2C)C1 ZINC000533865470 562520172 /nfs/dbraw/zinc/52/01/72/562520172.db2.gz OBLQZOKKWOLNNM-AWEZNQCLSA-N 0 3 357.414 2.455 20 5 FEBDHN COc1ccc(CC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901243 562596122 /nfs/dbraw/zinc/59/61/22/562596122.db2.gz XJZYKCOOWPONSJ-IAGOWNOFSA-N 0 3 369.421 2.360 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CC(C)C)C(=O)NCCN(C)C)n1 ZINC000541004713 562600220 /nfs/dbraw/zinc/60/02/20/562600220.db2.gz HMSLYTPQRPJRTA-AWEZNQCLSA-N 0 3 351.451 2.111 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cnn4ccccc34)CC2)cn1 ZINC000602661171 568012374 /nfs/dbraw/zinc/01/23/74/568012374.db2.gz KDOKIPYTMCITIT-UHFFFAOYSA-N 0 3 352.398 2.396 20 5 FEBDHN CCOC(=O)c1nn(C)cc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568799714 568223092 /nfs/dbraw/zinc/22/30/92/568223092.db2.gz CXWRTTGJGJIUOX-UHFFFAOYSA-N 0 3 371.397 2.319 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000569039288 568277967 /nfs/dbraw/zinc/27/79/67/568277967.db2.gz WAGUDTWHIAWLOS-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN CSC1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000569655468 568416063 /nfs/dbraw/zinc/41/60/63/568416063.db2.gz VAUCZWULDKYUQZ-UHFFFAOYSA-N 0 3 351.472 2.471 20 5 FEBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927237 568706225 /nfs/dbraw/zinc/70/62/25/568706225.db2.gz VLPTVGWMGLWFSH-YUMQZZPRSA-N 0 3 355.338 2.018 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925097 568717724 /nfs/dbraw/zinc/71/77/24/568717724.db2.gz CGYMMNKNEFJXQV-QEORTHHSSA-N 0 3 367.833 2.397 20 5 FEBDHN COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000821813999 599428980 /nfs/dbraw/zinc/42/89/80/599428980.db2.gz RPMWTWTYXVQLKZ-UHFFFAOYSA-N 0 3 354.370 2.116 20 5 FEBDHN COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000821813999 599428982 /nfs/dbraw/zinc/42/89/82/599428982.db2.gz RPMWTWTYXVQLKZ-UHFFFAOYSA-N 0 3 354.370 2.116 20 5 FEBDHN C[C@@H](CC[NH+](C)C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820243072 599500335 /nfs/dbraw/zinc/50/03/35/599500335.db2.gz UYTXBCUOXCRZCH-JTQLQIEISA-N 0 3 356.390 2.075 20 5 FEBDHN C[C@@H](CC[NH+](C)C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820243072 599500336 /nfs/dbraw/zinc/50/03/36/599500336.db2.gz UYTXBCUOXCRZCH-JTQLQIEISA-N 0 3 356.390 2.075 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027549 674479907 /nfs/dbraw/zinc/47/99/07/674479907.db2.gz YTMZRYZTVUJWSD-COPLHBTASA-N 0 3 350.394 2.118 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640022 607470748 /nfs/dbraw/zinc/47/07/48/607470748.db2.gz PPGIBSFZPPNHER-MLGOLLRUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640022 607470749 /nfs/dbraw/zinc/47/07/49/607470749.db2.gz PPGIBSFZPPNHER-MLGOLLRUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640022 607470751 /nfs/dbraw/zinc/47/07/51/607470751.db2.gz PPGIBSFZPPNHER-MLGOLLRUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640022 607470753 /nfs/dbraw/zinc/47/07/53/607470753.db2.gz PPGIBSFZPPNHER-MLGOLLRUSA-N 0 3 369.429 2.228 20 5 FEBDHN CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000887 606224864 /nfs/dbraw/zinc/22/48/64/606224864.db2.gz KXJSUPHBZCBIBA-OCCSQVGLSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000887 606224865 /nfs/dbraw/zinc/22/48/65/606224865.db2.gz KXJSUPHBZCBIBA-OCCSQVGLSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000887 606224866 /nfs/dbraw/zinc/22/48/66/606224866.db2.gz KXJSUPHBZCBIBA-OCCSQVGLSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000887 606224867 /nfs/dbraw/zinc/22/48/67/606224867.db2.gz KXJSUPHBZCBIBA-OCCSQVGLSA-N 0 3 357.418 2.228 20 5 FEBDHN CC[NH+](CC)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccco1 ZINC000821181277 606702676 /nfs/dbraw/zinc/70/26/76/606702676.db2.gz LDCIKPLJCSXXJP-LBPRGKRZSA-N 0 3 372.389 2.258 20 5 FEBDHN C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821587397 607114639 /nfs/dbraw/zinc/11/46/39/607114639.db2.gz VNGICQKAQMFHNP-UHFFFAOYSA-N 0 3 373.442 2.405 20 5 FEBDHN C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821587397 607114640 /nfs/dbraw/zinc/11/46/40/607114640.db2.gz VNGICQKAQMFHNP-UHFFFAOYSA-N 0 3 373.442 2.405 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000561750027 674695748 /nfs/dbraw/zinc/69/57/48/674695748.db2.gz NEFMEYHKOALFHT-LSDHHAIUSA-N 0 3 369.487 2.221 20 5 FEBDHN CC(=O)c1cc(Br)ccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102706 674719616 /nfs/dbraw/zinc/71/96/16/674719616.db2.gz JCSZSPKMLSXRJT-QMMMGPOBSA-N 0 3 360.160 2.239 20 5 FEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000813105499 674720076 /nfs/dbraw/zinc/72/00/76/674720076.db2.gz NFZKIZORFOMDEF-ZCFIWIBFSA-N 0 3 350.230 2.027 20 5 FEBDHN CC(COC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813105185 674720126 /nfs/dbraw/zinc/72/01/26/674720126.db2.gz WQDFKBMHNLAAGU-JOYOIKCWSA-N 0 3 358.803 2.064 20 5 FEBDHN CC(COC(=O)c1cc(F)ccc1I)[N+](=O)[O-] ZINC000813107355 674720679 /nfs/dbraw/zinc/72/06/79/674720679.db2.gz MLPPCCDYUFKVHX-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])CN(C)C ZINC000813615207 674762039 /nfs/dbraw/zinc/76/20/39/674762039.db2.gz OSRBZWNKEAQQQH-SECBINFHSA-N 0 3 369.365 2.498 20 5 FEBDHN COC1([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000817295973 675119154 /nfs/dbraw/zinc/11/91/54/675119154.db2.gz BITWTQHNBGRCMC-LLVKDONJSA-N 0 3 371.821 2.360 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000565830428 675154312 /nfs/dbraw/zinc/15/43/12/675154312.db2.gz DXTWPRVINOTSPD-CYBMUJFWSA-N 0 3 355.460 2.120 20 5 FEBDHN C[C@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000576216654 671352204 /nfs/dbraw/zinc/35/22/04/671352204.db2.gz ZYPWKFYNNHRKAN-LBPRGKRZSA-N 0 3 362.167 2.468 20 5 FEBDHN COc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000578636814 671679239 /nfs/dbraw/zinc/67/92/39/671679239.db2.gz GKBAXOHWIBRLNW-ZDUSSCGKSA-N 0 3 352.387 2.127 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000580890588 671843875 /nfs/dbraw/zinc/84/38/75/671843875.db2.gz NKAGTBDBYGHCKB-XJKSGUPXSA-N 0 3 367.471 2.405 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250243 675961015 /nfs/dbraw/zinc/96/10/15/675961015.db2.gz HTHFVVODIDUDEB-HNNXBMFYSA-N 0 3 350.438 2.334 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000139407506 672146320 /nfs/dbraw/zinc/14/63/20/672146320.db2.gz QYZADXLLDPZKTO-UHFFFAOYSA-N 0 3 359.423 2.229 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[C@@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939065 672549384 /nfs/dbraw/zinc/54/93/84/672549384.db2.gz NPVKHZYLZVEJLZ-YGRLFVJLSA-N 0 3 362.304 2.302 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591736060 672706735 /nfs/dbraw/zinc/70/67/35/672706735.db2.gz HQNZUZHSGZJBGT-HUUCEWRRSA-N 0 3 369.487 2.221 20 5 FEBDHN Cc1noc(C)c1[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757214 672708444 /nfs/dbraw/zinc/70/84/44/672708444.db2.gz XSZZMHQZJPZQPH-LLVKDONJSA-N 0 3 367.427 2.367 20 5 FEBDHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595878598 673333979 /nfs/dbraw/zinc/33/39/79/673333979.db2.gz UIVNVGBXAHSICM-UHFFFAOYSA-N 0 3 352.387 2.195 20 5 FEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000733158963 673401068 /nfs/dbraw/zinc/40/10/68/673401068.db2.gz VGANGHVGCPJOIU-CQSZACIVSA-N 0 3 351.378 2.107 20 5 FEBDHN CS[C@@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000539523873 673494544 /nfs/dbraw/zinc/49/45/44/673494544.db2.gz HIQFOXGNJNRODF-GOEBONIOSA-N 0 3 367.471 2.176 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855287 673610631 /nfs/dbraw/zinc/61/06/31/673610631.db2.gz COWWBDOGJUDUAM-JOYOIKCWSA-N 0 3 355.341 2.409 20 5 FEBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCCCC1 ZINC000599125866 673635269 /nfs/dbraw/zinc/63/52/69/673635269.db2.gz DUFWYJXLDBAALU-CQSZACIVSA-N 0 3 368.459 2.061 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000599390010 673667963 /nfs/dbraw/zinc/66/79/63/673667963.db2.gz GEHFQVTUMDOHIJ-KRWDZBQOSA-N 0 3 367.471 2.421 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461294 673866313 /nfs/dbraw/zinc/86/63/13/673866313.db2.gz AKCDANKGMQCPFU-NSHDSACASA-N 0 3 361.489 2.363 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461294 673866315 /nfs/dbraw/zinc/86/63/15/673866315.db2.gz AKCDANKGMQCPFU-NSHDSACASA-N 0 3 361.489 2.363 20 5 FEBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767097 673910935 /nfs/dbraw/zinc/91/09/35/673910935.db2.gz VSJWRVHYDUISJO-DZGCQCFKSA-N 0 3 351.451 2.117 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000825769640 675668141 /nfs/dbraw/zinc/66/81/41/675668141.db2.gz AKNMFNMPUFDBAC-GFCCVEGCSA-N 0 3 350.394 2.014 20 5 FEBDHN COc1ccc(CNC(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000604105373 675803673 /nfs/dbraw/zinc/80/36/73/675803673.db2.gz PIJOQFBYHPCYHF-UHFFFAOYSA-N 0 3 352.435 2.333 20 5 FEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000829563249 675883419 /nfs/dbraw/zinc/88/34/19/675883419.db2.gz BGSABIWNESBHPE-DTWKUNHWSA-N 0 3 356.785 2.278 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000760555293 680692562 /nfs/dbraw/zinc/69/25/62/680692562.db2.gz SCXHMDIMESHUMC-LBPRGKRZSA-N 0 3 357.357 2.355 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000747960342 679916273 /nfs/dbraw/zinc/91/62/73/679916273.db2.gz ZLXRISGXCZLFNL-ZDUSSCGKSA-N 0 3 353.423 2.028 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768722613 680956149 /nfs/dbraw/zinc/95/61/49/680956149.db2.gz ZCSATCBQHOJCSQ-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCNC[C@](C)(F)C1 ZINC000843388404 681000823 /nfs/dbraw/zinc/00/08/23/681000823.db2.gz YAWWRCKUDGUGRQ-BMIGLBTASA-N 0 3 358.801 2.209 20 5 FEBDHN COc1cc(OCC(=O)OC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736636 681149633 /nfs/dbraw/zinc/14/96/33/681149633.db2.gz WRZCRCZGFZPOTB-GFCCVEGCSA-N 0 3 352.387 2.398 20 5 FEBDHN CC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875001 681158177 /nfs/dbraw/zinc/15/81/77/681158177.db2.gz KQXBQBFNDKFCHQ-PVXIVEMSSA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@@H](OC(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845879312 681158705 /nfs/dbraw/zinc/15/87/05/681158705.db2.gz IOSNIFSCSGMAOI-BFQNTYOBSA-N 0 3 373.402 2.290 20 5 FEBDHN CC([C@H](OC(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845879314 681158853 /nfs/dbraw/zinc/15/88/53/681158853.db2.gz IOSNIFSCSGMAOI-WQGACYEGSA-N 0 3 373.402 2.290 20 5 FEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484427 681395748 /nfs/dbraw/zinc/39/57/48/681395748.db2.gz HVLZMFQWVAZLIF-PSOPSSQASA-N 0 3 371.821 2.359 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916663373 685526711 /nfs/dbraw/zinc/52/67/11/685526711.db2.gz CLHAROMORLKDFT-NEPJUHHUSA-N 0 3 373.862 2.129 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000918465492 685539341 /nfs/dbraw/zinc/53/93/41/685539341.db2.gz OMXXMDSICIQNAN-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN NCc1cn([C@@H]2CCCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)nn1 ZINC000853015816 682364325 /nfs/dbraw/zinc/36/43/25/682364325.db2.gz GCCJFDUFJGUGFD-SNVBAGLBSA-N 0 3 354.773 2.279 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2SCCS2)cc1 ZINC000853121517 682378730 /nfs/dbraw/zinc/37/87/30/682378730.db2.gz DIICPTKMHHDMBN-UHFFFAOYSA-N 0 3 362.498 2.154 20 5 FEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000866295431 684089939 /nfs/dbraw/zinc/08/99/39/684089939.db2.gz BSODXSUVSPEUNB-CABZTGNLSA-N 0 3 363.311 2.418 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000873153477 685083723 /nfs/dbraw/zinc/08/37/23/685083723.db2.gz UULPRLSRKMSUKQ-CYBMUJFWSA-N 0 3 352.387 2.051 20 5 FEBDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481810 686387765 /nfs/dbraw/zinc/38/77/65/686387765.db2.gz SXRAFDXKZMTDTP-CVEARBPZSA-N 0 3 352.431 2.057 20 5 FEBDHN COCCN1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287798 687599381 /nfs/dbraw/zinc/59/93/81/687599381.db2.gz GTHVGFCNASOVIH-CYBMUJFWSA-N 0 3 358.236 2.168 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCNCCC23CCC3)cc1[N+](=O)[O-] ZINC000883478891 687643630 /nfs/dbraw/zinc/64/36/30/687643630.db2.gz DMBJFSNJYAFHGT-UHFFFAOYSA-N 0 3 353.444 2.064 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000885870167 688174073 /nfs/dbraw/zinc/17/40/73/688174073.db2.gz YQKPOFMJRRRMHR-AWEZNQCLSA-N 0 3 353.806 2.231 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCCN(CCO)CC1 ZINC000892338113 689182841 /nfs/dbraw/zinc/18/28/41/689182841.db2.gz OAQVRVFAMRYDJO-UHFFFAOYSA-N 0 3 350.806 2.301 20 5 FEBDHN COc1cc([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140996 690850457 /nfs/dbraw/zinc/85/04/57/690850457.db2.gz JNRHBJQJPAKMKI-MLGOLLRUSA-N 0 3 352.387 2.176 20 5 FEBDHN COCCN1CC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906620218 691293058 /nfs/dbraw/zinc/29/30/58/691293058.db2.gz YXDSJZFPFZFAAC-CYBMUJFWSA-N 0 3 355.822 2.018 20 5 FEBDHN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000031708636 539916108 /nfs/dbraw/zinc/91/61/08/539916108.db2.gz CVOYHSZEAYFXST-UHFFFAOYSA-N 0 3 353.806 2.370 20 5 FEBDHN CC(=O)NCC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052849037 540493376 /nfs/dbraw/zinc/49/33/76/540493376.db2.gz KZNCWPNKYQUSRX-UHFFFAOYSA-N 0 3 362.430 2.080 20 5 FEBDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862431 540495058 /nfs/dbraw/zinc/49/50/58/540495058.db2.gz HIEVGHHEEPJQRV-CYBMUJFWSA-N 0 3 359.386 2.494 20 5 FEBDHN CCOc1cc(C(=O)NC[C@H]2CCCN2CC)c([N+](=O)[O-])cc1OC ZINC000053275155 540523377 /nfs/dbraw/zinc/52/33/77/540523377.db2.gz ZAWGWYHEYRIVRM-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000055281233 540642755 /nfs/dbraw/zinc/64/27/55/540642755.db2.gz QFGZOAQOURMSKT-ZDUSSCGKSA-N 0 3 355.460 2.304 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccsc1 ZINC000065866882 541268163 /nfs/dbraw/zinc/26/81/63/541268163.db2.gz LSEVNKVQNINMOS-AWEZNQCLSA-N 0 3 365.459 2.361 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000065901462 541269909 /nfs/dbraw/zinc/26/99/09/541269909.db2.gz VTHIAMPAOMPXFE-QGZVFWFLSA-N 0 3 371.441 2.128 20 5 FEBDHN CCCc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068229340 541566540 /nfs/dbraw/zinc/56/65/40/541566540.db2.gz PMZIRRPVCOWFBP-CYBMUJFWSA-N 0 3 361.402 2.430 20 5 FEBDHN C[C@H](NC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068386156 541585849 /nfs/dbraw/zinc/58/58/49/541585849.db2.gz RTFSPKPMORYLJK-AWEZNQCLSA-N 0 3 359.430 2.427 20 5 FEBDHN CN(C)CCOc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068519519 541602992 /nfs/dbraw/zinc/60/29/92/541602992.db2.gz KJZRLUURUDYBDU-UHFFFAOYSA-N 0 3 373.409 2.344 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074113873 542039257 /nfs/dbraw/zinc/03/92/57/542039257.db2.gz HCRDAZIXQOPBCG-UHFFFAOYSA-N 0 3 353.382 2.463 20 5 FEBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447272 542084996 /nfs/dbraw/zinc/08/49/96/542084996.db2.gz GTRHTPBJJHAGHT-HNNXBMFYSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447272 542085000 /nfs/dbraw/zinc/08/50/00/542085000.db2.gz GTRHTPBJJHAGHT-HNNXBMFYSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000075630615 542193280 /nfs/dbraw/zinc/19/32/80/542193280.db2.gz URBFCGGJTXAITK-QGZVFWFLSA-N 0 3 371.441 2.443 20 5 FEBDHN C[C@@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000075749171 542202712 /nfs/dbraw/zinc/20/27/12/542202712.db2.gz AIUQNMWDVLXJOP-JQFCIGGWSA-N 0 3 362.455 2.331 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077704332 542409837 /nfs/dbraw/zinc/40/98/37/542409837.db2.gz AQVVAUWFCGNZJT-UHFFFAOYSA-N 0 3 359.423 2.227 20 5 FEBDHN Cc1c(NC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000085548321 542729125 /nfs/dbraw/zinc/72/91/25/542729125.db2.gz XJFGEWUUJKRESU-HUUCEWRRSA-N 0 3 362.430 2.356 20 5 FEBDHN C[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997031 543001900 /nfs/dbraw/zinc/00/19/00/543001900.db2.gz UAXKATCGCSEHJC-LBPRGKRZSA-N 0 3 359.423 2.277 20 5 FEBDHN C[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997031 543001903 /nfs/dbraw/zinc/00/19/03/543001903.db2.gz UAXKATCGCSEHJC-LBPRGKRZSA-N 0 3 359.423 2.277 20 5 FEBDHN C[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997030 543001919 /nfs/dbraw/zinc/00/19/19/543001919.db2.gz UAXKATCGCSEHJC-GFCCVEGCSA-N 0 3 359.423 2.277 20 5 FEBDHN C[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997030 543001920 /nfs/dbraw/zinc/00/19/20/543001920.db2.gz UAXKATCGCSEHJC-GFCCVEGCSA-N 0 3 359.423 2.277 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000104748828 543141821 /nfs/dbraw/zinc/14/18/21/543141821.db2.gz IEPXHPQBFBYGIB-LLVKDONJSA-N 0 3 361.851 2.129 20 5 FEBDHN Cc1cc(N2CCN(CC(C)(C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110490516 543359258 /nfs/dbraw/zinc/35/92/58/543359258.db2.gz AFMUINFPALVEBS-UHFFFAOYSA-N 0 3 371.441 2.253 20 5 FEBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000110514619 543359677 /nfs/dbraw/zinc/35/96/77/543359677.db2.gz CBSJXHMYXNWHFO-MRXNPFEDSA-N 0 3 355.398 2.091 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137064792 544384021 /nfs/dbraw/zinc/38/40/21/544384021.db2.gz MLLVTUOJBVSUPN-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000143001014 544419378 /nfs/dbraw/zinc/41/93/78/544419378.db2.gz CHBOISQPNDZENH-QGZVFWFLSA-N 0 3 371.441 2.361 20 5 FEBDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151050752 544499753 /nfs/dbraw/zinc/49/97/53/544499753.db2.gz HROLHXNMFHKXSN-ZDUSSCGKSA-N 0 3 370.247 2.452 20 5 FEBDHN COc1ccc(OCCN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000151268308 544522928 /nfs/dbraw/zinc/52/29/28/544522928.db2.gz FPDVRJFWXUXHGA-UHFFFAOYSA-N 0 3 358.398 2.199 20 5 FEBDHN Cc1nn(C)c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000153100850 544733674 /nfs/dbraw/zinc/73/36/74/544733674.db2.gz ZIUCICSZXOJSGY-UHFFFAOYSA-N 0 3 359.430 2.277 20 5 FEBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000153385375 544769039 /nfs/dbraw/zinc/76/90/39/544769039.db2.gz PPWJEJGPTVOYMU-LJQANCHMSA-N 0 3 373.409 2.430 20 5 FEBDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153818500 544828205 /nfs/dbraw/zinc/82/82/05/544828205.db2.gz WNLSTOXLJAQEQM-OAHLLOKOSA-N 0 3 355.460 2.279 20 5 FEBDHN CC[C@H]1CCCCN1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153818591 544828635 /nfs/dbraw/zinc/82/86/35/544828635.db2.gz WNLSTOXLJAQEQM-HNNXBMFYSA-N 0 3 355.460 2.279 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000154354070 544895520 /nfs/dbraw/zinc/89/55/20/544895520.db2.gz STHSYQKLHPOOST-AWEZNQCLSA-N 0 3 351.451 2.153 20 5 FEBDHN CC(C)(C)CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220038 327766151 /nfs/dbraw/zinc/76/61/51/327766151.db2.gz GEWSQCBATVBLSR-MRXNPFEDSA-N 0 3 365.474 2.388 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cnn(C)c1C ZINC000183462235 327819508 /nfs/dbraw/zinc/81/95/08/327819508.db2.gz MYPGCQLYPRVCTL-LLVKDONJSA-N 0 3 361.402 2.325 20 5 FEBDHN CC(C)c1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000188136840 328068432 /nfs/dbraw/zinc/06/84/32/328068432.db2.gz HOELSJUOSAJMLF-HNNXBMFYSA-N 0 3 362.474 2.474 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000188257380 328076035 /nfs/dbraw/zinc/07/60/35/328076035.db2.gz GPXUSHSKOCVDMJ-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000189442362 328148503 /nfs/dbraw/zinc/14/85/03/328148503.db2.gz QHSURBYSBCTBDL-HNNXBMFYSA-N 0 3 350.463 2.427 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000191495026 328268471 /nfs/dbraw/zinc/26/84/71/328268471.db2.gz KYLDEQJDXWLZDR-UHFFFAOYSA-N 0 3 357.414 2.206 20 5 FEBDHN CC(C)C[C@]1(CO)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191654542 328276155 /nfs/dbraw/zinc/27/61/55/328276155.db2.gz JLZDOHRERADZLF-IBGZPJMESA-N 0 3 361.442 2.357 20 5 FEBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccncc2)CC1 ZINC000089393693 325314701 /nfs/dbraw/zinc/31/47/01/325314701.db2.gz WOCFVYJRNSHZTR-UHFFFAOYSA-N 0 3 369.425 2.435 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccc(F)cc2)CCOCC1 ZINC000090554163 325363386 /nfs/dbraw/zinc/36/33/86/325363386.db2.gz GPFNPYZNPWWHLF-UHFFFAOYSA-N 0 3 361.373 2.191 20 5 FEBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707467 325633900 /nfs/dbraw/zinc/63/39/00/325633900.db2.gz UAVWMZXLWSVRBK-CYBMUJFWSA-N 0 3 371.434 2.373 20 5 FEBDHN COc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)N(C)C)cc1OC ZINC000114708547 325915077 /nfs/dbraw/zinc/91/50/77/325915077.db2.gz SBJJMPJSLJEFRJ-ZDUSSCGKSA-N 0 3 363.418 2.369 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000116907561 326041686 /nfs/dbraw/zinc/04/16/86/326041686.db2.gz LBWIRACGDPXPIP-GFCCVEGCSA-N 0 3 367.402 2.363 20 5 FEBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118117666 326083223 /nfs/dbraw/zinc/08/32/23/326083223.db2.gz OUMYRUAFVDGLAU-SNVBAGLBSA-N 0 3 356.810 2.033 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118787575 326102242 /nfs/dbraw/zinc/10/22/42/326102242.db2.gz NJPKCLCXBQDKKY-AWEZNQCLSA-N 0 3 363.462 2.298 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118792962 326102352 /nfs/dbraw/zinc/10/23/52/326102352.db2.gz GJOUQMHZNJDTNK-CQSZACIVSA-N 0 3 363.462 2.298 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120863722 326294401 /nfs/dbraw/zinc/29/44/01/326294401.db2.gz SNBPUIWIOPPKRE-GUYCJALGSA-N 0 3 357.414 2.193 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120954750 326302121 /nfs/dbraw/zinc/30/21/21/326302121.db2.gz CGDKQXUJEYFJJM-JKSUJKDBSA-N 0 3 367.471 2.026 20 5 FEBDHN CN1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121075402 326311192 /nfs/dbraw/zinc/31/11/92/326311192.db2.gz VJTRMDOAYWYXIR-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000121851858 326371870 /nfs/dbraw/zinc/37/18/70/326371870.db2.gz YCHSHXDVVAXENP-UHFFFAOYSA-N 0 3 351.403 2.218 20 5 FEBDHN Cc1sc(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000127110504 326500497 /nfs/dbraw/zinc/50/04/97/326500497.db2.gz GRPPRULILBFCIL-UHFFFAOYSA-N 0 3 361.489 2.365 20 5 FEBDHN CS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150881440 326670185 /nfs/dbraw/zinc/67/01/85/326670185.db2.gz QFRNPHKTXLQLQO-CQSZACIVSA-N 0 3 367.471 2.453 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169028 326676346 /nfs/dbraw/zinc/67/63/46/326676346.db2.gz QCDVQPQMTCYAHY-ADSMDIBLSA-N 0 3 363.414 2.478 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153616109 326737900 /nfs/dbraw/zinc/73/79/00/326737900.db2.gz LGNMSZVURGRBCK-GJZGRUSLSA-N 0 3 350.463 2.280 20 5 FEBDHN CCc1n[nH]c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171775273 327160733 /nfs/dbraw/zinc/16/07/33/327160733.db2.gz CWRHLEQXPLYGPQ-UHFFFAOYSA-N 0 3 371.441 2.317 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(CC3CCOCC3)CC2)cc1 ZINC000172422021 327200982 /nfs/dbraw/zinc/20/09/82/327200982.db2.gz LYTAIHHCLQWMTC-UHFFFAOYSA-N 0 3 363.458 2.408 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)[C@@H]2CCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000172765180 327217962 /nfs/dbraw/zinc/21/79/62/327217962.db2.gz NDFKZJGFDVVUBT-TZMCWYRMSA-N 0 3 350.419 2.333 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174369480 327322819 /nfs/dbraw/zinc/32/28/19/327322819.db2.gz VYEREVCZMYJQAH-QGZVFWFLSA-N 0 3 361.446 2.229 20 5 FEBDHN Cc1nn(C)c(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174955374 327363473 /nfs/dbraw/zinc/36/34/73/327363473.db2.gz ZCUNFIDQDZLNHM-MRXNPFEDSA-N 0 3 371.441 2.231 20 5 FEBDHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746889 328886227 /nfs/dbraw/zinc/88/62/27/328886227.db2.gz AMQNRHXOHAPYQK-DTWKUNHWSA-N 0 3 367.349 2.032 20 5 FEBDHN CN(C)CCOc1ccccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000265615774 329143459 /nfs/dbraw/zinc/14/34/59/329143459.db2.gz WJJMJGDFLBIXRR-UHFFFAOYSA-N 0 3 371.441 2.257 20 5 FEBDHN COc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1OC ZINC000265975386 329178199 /nfs/dbraw/zinc/17/81/99/329178199.db2.gz XDBOBNNBGBFPPK-ZDUSSCGKSA-N 0 3 353.419 2.318 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC3(CCOCC3)C2)c1 ZINC000266046291 329184974 /nfs/dbraw/zinc/18/49/74/329184974.db2.gz XSNOBMPVKOEAKU-INIZCTEOSA-N 0 3 350.415 2.227 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000270619521 329615959 /nfs/dbraw/zinc/61/59/59/329615959.db2.gz DBWNPUJNGVRXOO-KGLIPLIRSA-N 0 3 372.878 2.164 20 5 FEBDHN COC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000275764685 330086403 /nfs/dbraw/zinc/08/64/03/330086403.db2.gz UCPFRRREKZIZBK-MRXNPFEDSA-N 0 3 356.444 2.163 20 5 FEBDHN C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000367059171 330212253 /nfs/dbraw/zinc/21/22/53/330212253.db2.gz CCVGQOKRQJLMJV-WBMJQRKESA-N 0 3 354.401 2.335 20 5 FEBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187588 330275939 /nfs/dbraw/zinc/27/59/39/330275939.db2.gz OLVLOJIKOHYVDA-GJZGRUSLSA-N 0 3 370.471 2.179 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000555070441 674346698 /nfs/dbraw/zinc/34/66/98/674346698.db2.gz DGOWYBKDXPQYKT-NSHDSACASA-N 0 3 359.329 2.246 20 5 FEBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155333827 545513319 /nfs/dbraw/zinc/51/33/19/545513319.db2.gz DUMPCWODDBBHMB-AWEZNQCLSA-N 0 3 367.409 2.374 20 5 FEBDHN CC(C)CN1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156335266 545618133 /nfs/dbraw/zinc/61/81/33/545618133.db2.gz PSOXSIGBDSQBHG-MRXNPFEDSA-N 0 3 369.487 2.382 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C(C)C)cc1OC ZINC000156771323 545658306 /nfs/dbraw/zinc/65/83/06/545658306.db2.gz XJADZYRJTZDSCD-UHFFFAOYSA-N 0 3 353.419 2.414 20 5 FEBDHN O=C(Nc1ccc(F)cc1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157907923 545799306 /nfs/dbraw/zinc/79/93/06/545799306.db2.gz BUOIGWUKLYIFTJ-UHFFFAOYSA-N 0 3 361.377 2.281 20 5 FEBDHN CCOc1ccc(C(=O)NC2CCN(CCCOC)CC2)cc1[N+](=O)[O-] ZINC000171138427 546193330 /nfs/dbraw/zinc/19/33/30/546193330.db2.gz DJZLKXSNMSIXMR-UHFFFAOYSA-N 0 3 365.430 2.224 20 5 FEBDHN COCCCN(C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176334693 546433194 /nfs/dbraw/zinc/43/31/94/546433194.db2.gz YNXBLPQFSSPFDP-CQSZACIVSA-N 0 3 352.435 2.232 20 5 FEBDHN CCCCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000480513440 561211014 /nfs/dbraw/zinc/21/10/14/561211014.db2.gz CVJWGPUIFNBJIA-AWEZNQCLSA-N 0 3 370.475 2.309 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031949 546528265 /nfs/dbraw/zinc/52/82/65/546528265.db2.gz OYHZJRNWPGENOF-SMDDNHRTSA-N 0 3 361.398 2.127 20 5 FEBDHN COc1cnccc1N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000481060124 561224115 /nfs/dbraw/zinc/22/41/15/561224115.db2.gz ZSXCUPDISQSHAF-UHFFFAOYSA-N 0 3 360.399 2.034 20 5 FEBDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737330 561240296 /nfs/dbraw/zinc/24/02/96/561240296.db2.gz CWZZAJTVSJGLJO-ZBFHGGJFSA-N 0 3 352.387 2.016 20 5 FEBDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745296 561240713 /nfs/dbraw/zinc/24/07/13/561240713.db2.gz CHFYAHMSRNZIFD-ZBFHGGJFSA-N 0 3 352.387 2.016 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000179923764 547029561 /nfs/dbraw/zinc/02/95/61/547029561.db2.gz MEWINBVXLPPZFL-HNNXBMFYSA-N 0 3 357.366 2.356 20 5 FEBDHN CCO[C@@H]1C[C@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482515973 561255379 /nfs/dbraw/zinc/25/53/79/561255379.db2.gz BAQVZWIJHIFXLA-ZYIUAKIQSA-N 0 3 351.403 2.094 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000184883405 547893574 /nfs/dbraw/zinc/89/35/74/547893574.db2.gz NFUHNYKOSOSXLN-SJLPKXTDSA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)NCCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000186131682 548089542 /nfs/dbraw/zinc/08/95/42/548089542.db2.gz YIPPYSZFLHHJQM-UHFFFAOYSA-N 0 3 359.423 2.197 20 5 FEBDHN CCN1CCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000194146073 548440826 /nfs/dbraw/zinc/44/08/26/548440826.db2.gz JMPXEPRDGNGGPI-AWEZNQCLSA-N 0 3 365.430 2.145 20 5 FEBDHN CCOc1cc(C(=O)NC[C@H](N)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000236893196 548787349 /nfs/dbraw/zinc/78/73/49/548787349.db2.gz SNQDUZBOIDICLK-AWEZNQCLSA-N 0 3 359.382 2.432 20 5 FEBDHN CC[C@@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000236942417 548789375 /nfs/dbraw/zinc/78/93/75/548789375.db2.gz FSYUMXIUUJTXDL-ZIAGYGMSSA-N 0 3 355.460 2.432 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971135 561380274 /nfs/dbraw/zinc/38/02/74/561380274.db2.gz MWJOKNWUPYTSLO-KRWDZBQOSA-N 0 3 364.446 2.204 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000246150972 549064174 /nfs/dbraw/zinc/06/41/74/549064174.db2.gz LAOXYFNAQLSEKK-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN CCOc1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246715518 549194052 /nfs/dbraw/zinc/19/40/52/549194052.db2.gz KZJCKZNTGMGTDI-AEFFLSMTSA-N 0 3 360.414 2.388 20 5 FEBDHN CCOc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247138464 549290888 /nfs/dbraw/zinc/29/08/88/549290888.db2.gz JPKKHZYVPFQLBW-OLZOCXBDSA-N 0 3 363.414 2.311 20 5 FEBDHN CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000247698355 549373920 /nfs/dbraw/zinc/37/39/20/549373920.db2.gz XDUMSNRJFBRXRR-WCQYABFASA-N 0 3 353.448 2.173 20 5 FEBDHN CC(C)CN1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268284428 550044752 /nfs/dbraw/zinc/04/47/52/550044752.db2.gz XFQRSONQXKLOKQ-CYBMUJFWSA-N 0 3 355.460 2.388 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000269124731 550158224 /nfs/dbraw/zinc/15/82/24/550158224.db2.gz WQDOUARFIWYPJZ-TZMCWYRMSA-N 0 3 363.414 2.168 20 5 FEBDHN CSc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000269153608 550161324 /nfs/dbraw/zinc/16/13/24/550161324.db2.gz CUMYJMIAEIVEQF-UHFFFAOYSA-N 0 3 373.438 2.374 20 5 FEBDHN CCOc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000493573494 561457003 /nfs/dbraw/zinc/45/70/03/561457003.db2.gz PIMZLZIDCPWWHI-AWEZNQCLSA-N 0 3 351.447 2.271 20 5 FEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1N(C)C ZINC000270340344 550263496 /nfs/dbraw/zinc/26/34/96/550263496.db2.gz DTYSLTAQGJHJCW-MNOVXSKESA-N 0 3 361.265 2.234 20 5 FEBDHN COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668280 550393572 /nfs/dbraw/zinc/39/35/72/550393572.db2.gz MPCAWHXPHKVLAI-SUMWQHHRSA-N 0 3 374.393 2.472 20 5 FEBDHN COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000272452593 550449211 /nfs/dbraw/zinc/44/92/11/550449211.db2.gz MVWFHBZIGSFDNB-GJZGRUSLSA-N 0 3 362.430 2.229 20 5 FEBDHN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272846081 550473351 /nfs/dbraw/zinc/47/33/51/550473351.db2.gz GXCODDNUDSFKBS-ZDUSSCGKSA-N 0 3 355.398 2.161 20 5 FEBDHN CC(=O)N1CCN(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272865360 550474138 /nfs/dbraw/zinc/47/41/38/550474138.db2.gz RKZXUCHUCZVCCZ-UHFFFAOYSA-N 0 3 357.414 2.027 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274037356 550520498 /nfs/dbraw/zinc/52/04/98/550520498.db2.gz MZBHILJITOBGKZ-CVEARBPZSA-N 0 3 364.471 2.045 20 5 FEBDHN CCO[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000274934209 550565847 /nfs/dbraw/zinc/56/58/47/550565847.db2.gz OYEUFSCAECNYNE-JZXOWHBKSA-N 0 3 360.414 2.277 20 5 FEBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000276934465 550612690 /nfs/dbraw/zinc/61/26/90/550612690.db2.gz MUTQGZCWVXCTAB-UHFFFAOYSA-N 0 3 355.460 2.277 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277482053 550675977 /nfs/dbraw/zinc/67/59/77/550675977.db2.gz IUNHTOILYIGZME-CYBMUJFWSA-N 0 3 363.414 2.359 20 5 FEBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H](C)C1 ZINC000277607516 550691021 /nfs/dbraw/zinc/69/10/21/550691021.db2.gz AMGHIXGOECROGK-STQMWFEESA-N 0 3 374.445 2.391 20 5 FEBDHN Nc1cc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ccn1 ZINC000278344906 550775187 /nfs/dbraw/zinc/77/51/87/550775187.db2.gz CNZQWTAAXDUIQX-UHFFFAOYSA-N 0 3 367.413 2.161 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278731768 550816111 /nfs/dbraw/zinc/81/61/11/550816111.db2.gz WHLBSTGOQCREJM-CYBMUJFWSA-N 0 3 369.849 2.408 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000495471501 561488757 /nfs/dbraw/zinc/48/87/57/561488757.db2.gz YJLVLJNERPWBDK-USXIJHARSA-N 0 3 352.431 2.063 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280943229 551048175 /nfs/dbraw/zinc/04/81/75/551048175.db2.gz IBDCGLLHXRUYNE-HKUYNNGSSA-N 0 3 373.409 2.021 20 5 FEBDHN O=C1N[C@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2CO1 ZINC000281393306 551091857 /nfs/dbraw/zinc/09/18/57/551091857.db2.gz PYIFQRLKJYYKEP-HIFRSBDPSA-N 0 3 372.381 2.223 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281842445 551146859 /nfs/dbraw/zinc/14/68/59/551146859.db2.gz OGCQHJXBUGRURU-UHFFFAOYSA-N 0 3 363.462 2.359 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281889219 551153587 /nfs/dbraw/zinc/15/35/87/551153587.db2.gz YBHARRGQHISCIX-FYWRMAATSA-N 0 3 360.458 2.140 20 5 FEBDHN O=C(CN[C@@H]1CCCC12CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282173639 551190422 /nfs/dbraw/zinc/19/04/22/551190422.db2.gz VHTNJCZEUSLZKC-QGZVFWFLSA-N 0 3 359.426 2.423 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285574179 551776917 /nfs/dbraw/zinc/77/69/17/551776917.db2.gz NZCXNTFXXIYOLN-HIFRSBDPSA-N 0 3 362.430 2.101 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Cl ZINC000285636077 551786857 /nfs/dbraw/zinc/78/68/57/551786857.db2.gz ZAGSPPSOPQQXMH-UHFFFAOYSA-N 0 3 353.766 2.164 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000286720360 551918454 /nfs/dbraw/zinc/91/84/54/551918454.db2.gz NGCUHBHBKRZJMG-GXTWGEPZSA-N 0 3 371.434 2.290 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288380331 552143710 /nfs/dbraw/zinc/14/37/10/552143710.db2.gz VICXAFKKJMASNM-WMLDXEAASA-N 0 3 371.441 2.269 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000289280036 552294394 /nfs/dbraw/zinc/29/43/94/552294394.db2.gz ZCIFVQHIIWDHMD-HIFRSBDPSA-N 0 3 374.441 2.235 20 5 FEBDHN CC[C@H]1CCCCN1CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000500409145 561571911 /nfs/dbraw/zinc/57/19/11/561571911.db2.gz OGIXFURSDHBZGC-ZDUSSCGKSA-N 0 3 370.475 2.179 20 5 FEBDHN CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCc2ccccc2C1 ZINC000500792062 561582563 /nfs/dbraw/zinc/58/25/63/561582563.db2.gz CSRRHBQNYCXBND-MRXNPFEDSA-N 0 3 371.441 2.141 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000500936238 561586099 /nfs/dbraw/zinc/58/60/99/561586099.db2.gz PSPITJIJRSTUBK-HOCLYGCPSA-N 0 3 369.487 2.272 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291730581 552655554 /nfs/dbraw/zinc/65/55/54/552655554.db2.gz JOTTYQNCUSLVJM-HXUWFJFHSA-N 0 3 371.437 2.074 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOC[C@@H](C2CCC2)C1 ZINC000292077178 552691428 /nfs/dbraw/zinc/69/14/28/552691428.db2.gz FHDCDPRKAZJLNG-JKSUJKDBSA-N 0 3 350.415 2.083 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292140707 552697763 /nfs/dbraw/zinc/69/77/63/552697763.db2.gz YZPCOIZCCNWKPP-OAHLLOKOSA-N 0 3 373.862 2.273 20 5 FEBDHN C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000501499626 561598945 /nfs/dbraw/zinc/59/89/45/561598945.db2.gz GIQZQCLZQXTPLD-LSDHHAIUSA-N 0 3 363.462 2.426 20 5 FEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294762286 552932254 /nfs/dbraw/zinc/93/22/54/552932254.db2.gz YGLOCBUFDKFUGQ-LBPRGKRZSA-N 0 3 351.378 2.443 20 5 FEBDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000295263167 552978213 /nfs/dbraw/zinc/97/82/13/552978213.db2.gz GGVYFSKDQNZFSY-LBPRGKRZSA-N 0 3 363.414 2.168 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000295302309 552984346 /nfs/dbraw/zinc/98/43/46/552984346.db2.gz KGLDQYBKHAZBBG-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN Cc1cc(F)c(NC(=O)NC2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000296808581 553214438 /nfs/dbraw/zinc/21/44/38/553214438.db2.gz RGMUMGQLJMIYQY-UHFFFAOYSA-N 0 3 367.425 2.190 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803015 553340527 /nfs/dbraw/zinc/34/05/27/553340527.db2.gz IAQUJGHAMXMJHF-JSGCOSHPSA-N 0 3 362.430 2.078 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301860254 553686438 /nfs/dbraw/zinc/68/64/38/553686438.db2.gz DIYOEPDQOYFEOA-LBPRGKRZSA-N 0 3 371.235 2.418 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301970341 553695001 /nfs/dbraw/zinc/69/50/01/553695001.db2.gz RHYLMJZLEDZGNK-KRWDZBQOSA-N 0 3 369.425 2.062 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301975626 553695752 /nfs/dbraw/zinc/69/57/52/553695752.db2.gz VWBPQGZKDMMORI-AWEZNQCLSA-N 0 3 352.822 2.167 20 5 FEBDHN Cc1cc(NC[C@H]2CCCN2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302087090 553703732 /nfs/dbraw/zinc/70/37/32/553703732.db2.gz NSRFPZQUFMHZLX-CYBMUJFWSA-N 0 3 364.427 2.287 20 5 FEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000510546091 561838473 /nfs/dbraw/zinc/83/84/73/561838473.db2.gz IDQXUIMXSFCGJL-BLLLJJGKSA-N 0 3 357.414 2.302 20 5 FEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnnn1CCN(C)C ZINC000511071669 561855798 /nfs/dbraw/zinc/85/57/98/561855798.db2.gz AIMYCGTVIFCCEE-UHFFFAOYSA-N 0 3 366.447 2.222 20 5 FEBDHN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1=CCN(C)CC1 ZINC000511343446 561866050 /nfs/dbraw/zinc/86/60/50/561866050.db2.gz LMJRMBOQKGOXLS-CYBMUJFWSA-N 0 3 355.398 2.161 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362080671 554948538 /nfs/dbraw/zinc/94/85/38/554948538.db2.gz SZWXFCDVFWVRHJ-MAUKXSAKSA-N 0 3 362.474 2.061 20 5 FEBDHN Cc1ccc(CN2CCC(CNC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000363072423 555023705 /nfs/dbraw/zinc/02/37/05/555023705.db2.gz MBZMMEYAZMFPAH-UHFFFAOYSA-N 0 3 371.441 2.128 20 5 FEBDHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263704 555067555 /nfs/dbraw/zinc/06/75/55/555067555.db2.gz AMKBXRQAQQJHTH-ISTRZQFTSA-N 0 3 369.425 2.094 20 5 FEBDHN CN1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000363694605 555165907 /nfs/dbraw/zinc/16/59/07/555165907.db2.gz ARDRQVFQFJAZLX-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000363700494 555167246 /nfs/dbraw/zinc/16/72/46/555167246.db2.gz YYWVTCRBLFZEEP-INIZCTEOSA-N 0 3 357.414 2.330 20 5 FEBDHN N[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364195281 555267568 /nfs/dbraw/zinc/26/75/68/555267568.db2.gz MBKJHXVUZPPRHY-LSDHHAIUSA-N 0 3 358.373 2.099 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427818 555312378 /nfs/dbraw/zinc/31/23/78/555312378.db2.gz SAVGPPMHWONYPW-XPKDYRNWSA-N 0 3 365.405 2.353 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556829 555337616 /nfs/dbraw/zinc/33/76/16/555337616.db2.gz KQFYUJUJCZEKQU-IVMMDQJWSA-N 0 3 365.405 2.353 20 5 FEBDHN C[C@@H](CO)N1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892680 555428182 /nfs/dbraw/zinc/42/81/82/555428182.db2.gz GIBMUGXOHHVWKO-HNNXBMFYSA-N 0 3 374.441 2.181 20 5 FEBDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364956015 555449117 /nfs/dbraw/zinc/44/91/17/555449117.db2.gz RHZGOLNCTGTHSV-LLVKDONJSA-N 0 3 356.810 2.169 20 5 FEBDHN CN1C(=O)C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365204505 555510343 /nfs/dbraw/zinc/51/03/43/555510343.db2.gz RPMIMOCNVRSPLY-JENIJYKNSA-N 0 3 373.384 2.329 20 5 FEBDHN CN(CCCN1CCCC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000513069035 561924064 /nfs/dbraw/zinc/92/40/64/561924064.db2.gz MSTIVNRQZREADF-UHFFFAOYSA-N 0 3 371.441 2.481 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000365726297 555652308 /nfs/dbraw/zinc/65/23/08/555652308.db2.gz WWDIUMRAKXDCEE-UHFFFAOYSA-N 0 3 358.324 2.413 20 5 FEBDHN O=C([C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657700 555901068 /nfs/dbraw/zinc/90/10/68/555901068.db2.gz SEJQKAXKGUHJBY-WMZOPIPTSA-N 0 3 361.442 2.353 20 5 FEBDHN Cc1n[nH]cc1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000366942622 555978001 /nfs/dbraw/zinc/97/80/01/555978001.db2.gz FSMIRTSZWKEJLU-HNNXBMFYSA-N 0 3 360.414 2.246 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367296660 556010813 /nfs/dbraw/zinc/01/08/13/556010813.db2.gz RNCBJURLCUXUQN-MRXNPFEDSA-N 0 3 366.849 2.162 20 5 FEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446419 556051185 /nfs/dbraw/zinc/05/11/85/556051185.db2.gz DVXWYRRUEWYDSM-JKSUJKDBSA-N 0 3 364.402 2.236 20 5 FEBDHN CCN1CCC(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514855914 561983568 /nfs/dbraw/zinc/98/35/68/561983568.db2.gz GCXUUPUHUOOIOV-UHFFFAOYSA-N 0 3 369.487 2.080 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000368615160 556363453 /nfs/dbraw/zinc/36/34/53/556363453.db2.gz RUXGASYMAHIHRE-GVDBMIGSSA-N 0 3 364.442 2.473 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664826 556378746 /nfs/dbraw/zinc/37/87/46/556378746.db2.gz YUEZPSIPGNXHGQ-GDBMZVCRSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664826 556378749 /nfs/dbraw/zinc/37/87/49/556378749.db2.gz YUEZPSIPGNXHGQ-GDBMZVCRSA-N 0 3 360.414 2.246 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000515422629 562010112 /nfs/dbraw/zinc/01/01/12/562010112.db2.gz BRUBKXKWZBECRL-DOMZBBRYSA-N 0 3 358.423 2.494 20 5 FEBDHN CCc1ccc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370000191 556753954 /nfs/dbraw/zinc/75/39/54/556753954.db2.gz XNODVKBIFYTTDS-INIZCTEOSA-N 0 3 374.485 2.257 20 5 FEBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000370147947 556794322 /nfs/dbraw/zinc/79/43/22/556794322.db2.gz HLTBPTDJCCXINX-WMLDXEAASA-N 0 3 373.457 2.194 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352410 556847681 /nfs/dbraw/zinc/84/76/81/556847681.db2.gz YSPKKLVLEFDESM-GJZGRUSLSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352410 556847682 /nfs/dbraw/zinc/84/76/82/556847682.db2.gz YSPKKLVLEFDESM-GJZGRUSLSA-N 0 3 360.414 2.246 20 5 FEBDHN COc1ccc(OCCN2CCCC[C@@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000370698588 556943503 /nfs/dbraw/zinc/94/35/03/556943503.db2.gz OHPOFFBCRSVOMI-CQSZACIVSA-N 0 3 361.402 2.128 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000371254666 557120899 /nfs/dbraw/zinc/12/08/99/557120899.db2.gz YJUOJRBGJVGPAY-DZFIZOCASA-N 0 3 367.405 2.464 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281217 557129494 /nfs/dbraw/zinc/12/94/94/557129494.db2.gz BQGRBVJJKOFVMG-LPHOPBHVSA-N 0 3 363.458 2.435 20 5 FEBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000371342324 557153367 /nfs/dbraw/zinc/15/33/67/557153367.db2.gz XASDUNZPFDRADX-UHFFFAOYSA-N 0 3 360.458 2.225 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371356062 557158336 /nfs/dbraw/zinc/15/83/36/557158336.db2.gz VAZNUKOUYODDQD-FEHORCSSSA-N 0 3 372.469 2.092 20 5 FEBDHN Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359447 557160373 /nfs/dbraw/zinc/16/03/73/557160373.db2.gz JOSJATRYUYWBKD-DOTOQJQBSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000517652625 562094730 /nfs/dbraw/zinc/09/47/30/562094730.db2.gz QYPOCSURXJQCMD-UHFFFAOYSA-N 0 3 355.398 2.302 20 5 FEBDHN CN(C)[C@@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000371534478 557213069 /nfs/dbraw/zinc/21/30/69/557213069.db2.gz FPBQQBSDEVKBQS-ZIFCJYIRSA-N 0 3 372.469 2.289 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000371647929 557250109 /nfs/dbraw/zinc/25/01/09/557250109.db2.gz VETLBCQNIMYCEI-AEFFLSMTSA-N 0 3 364.442 2.473 20 5 FEBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000372313763 557437182 /nfs/dbraw/zinc/43/71/82/557437182.db2.gz RVAIOAKWVQVNDY-YOEHRIQHSA-N 0 3 361.446 2.085 20 5 FEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000372313760 557437192 /nfs/dbraw/zinc/43/71/92/557437192.db2.gz RVAIOAKWVQVNDY-PBHICJAKSA-N 0 3 361.446 2.085 20 5 FEBDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000372353598 557447978 /nfs/dbraw/zinc/44/79/78/557447978.db2.gz ANWPTHJVBCYKOH-DOTOQJQBSA-N 0 3 360.458 2.001 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520312196 562153114 /nfs/dbraw/zinc/15/31/14/562153114.db2.gz PKJFYEFETDTYKA-INIZCTEOSA-N 0 3 357.414 2.385 20 5 FEBDHN CC(C)NC(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672499 557736088 /nfs/dbraw/zinc/73/60/88/557736088.db2.gz IEPDOFADDIGQBG-HUUCEWRRSA-N 0 3 362.430 2.008 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760725 562163079 /nfs/dbraw/zinc/16/30/79/562163079.db2.gz GMBOSFXVONHWAF-CHWSQXEVSA-N 0 3 363.414 2.359 20 5 FEBDHN CN1CCC2(CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000374296575 557860536 /nfs/dbraw/zinc/86/05/36/557860536.db2.gz PWDNJHURCAHVBJ-UHFFFAOYSA-N 0 3 367.471 2.027 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550187 557898374 /nfs/dbraw/zinc/89/83/74/557898374.db2.gz HPRUKOJYYVAODU-CHWSQXEVSA-N 0 3 362.352 2.207 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000374871254 557944121 /nfs/dbraw/zinc/94/41/21/557944121.db2.gz CPUKKCLBBMETKG-KSSFIOAISA-N 0 3 360.458 2.378 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1OC ZINC000375017026 557964708 /nfs/dbraw/zinc/96/47/08/557964708.db2.gz GFHODUGVZIGKEZ-SWLSCSKDSA-N 0 3 363.414 2.168 20 5 FEBDHN NC(=O)[C@]1(O)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000375520158 558042378 /nfs/dbraw/zinc/04/23/78/558042378.db2.gz SGFSSHGURKVMCG-KRWDZBQOSA-N 0 3 361.423 2.136 20 5 FEBDHN O=C(CCN1CCCC[C@@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000375594877 558054249 /nfs/dbraw/zinc/05/42/49/558054249.db2.gz BZCGABJNVYNAGK-OAHLLOKOSA-N 0 3 374.441 2.400 20 5 FEBDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376055655 558120723 /nfs/dbraw/zinc/12/07/23/558120723.db2.gz JNRXZZZBTYSDKE-TZMCWYRMSA-N 0 3 353.444 2.202 20 5 FEBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000522650437 562200977 /nfs/dbraw/zinc/20/09/77/562200977.db2.gz MUVPRTBEWWKNNK-GFCCVEGCSA-N 0 3 353.806 2.370 20 5 FEBDHN Cc1sc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000378094211 558479228 /nfs/dbraw/zinc/47/92/28/558479228.db2.gz CNXVOYSQZJKZTK-CQSZACIVSA-N 0 3 366.487 2.205 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408063816 558642835 /nfs/dbraw/zinc/64/28/35/558642835.db2.gz XCXVKLSFGRVBCR-KBPBESRZSA-N 0 3 373.862 2.462 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411132424 558842513 /nfs/dbraw/zinc/84/25/13/558842513.db2.gz JYXAQRUYBPOTKD-KGLIPLIRSA-N 0 3 362.430 2.221 20 5 FEBDHN CO[C@@](C)([C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965812 558996500 /nfs/dbraw/zinc/99/65/00/558996500.db2.gz FZJWPHNXLYZNRD-LRDDRELGSA-N 0 3 356.444 2.162 20 5 FEBDHN NC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411976625 558998494 /nfs/dbraw/zinc/99/84/94/558998494.db2.gz ITXUAXCZJJDURS-JKSUJKDBSA-N 0 3 355.394 2.175 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289770 559025305 /nfs/dbraw/zinc/02/53/05/559025305.db2.gz NWFLNAHJRSIUOL-MDASCCDHSA-N 0 3 373.453 2.410 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413135029 559081624 /nfs/dbraw/zinc/08/16/24/559081624.db2.gz LUSJGSCJQULUMI-QGZVFWFLSA-N 0 3 355.442 2.359 20 5 FEBDHN CC(C)[C@@H]1N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159992 559151293 /nfs/dbraw/zinc/15/12/93/559151293.db2.gz XIDMEYPSFWCPHW-QAPCUYQASA-N 0 3 364.442 2.472 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000416429735 559312313 /nfs/dbraw/zinc/31/23/13/559312313.db2.gz ZXAFZEOBZYVKHJ-CQSZACIVSA-N 0 3 361.423 2.290 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416454727 559314142 /nfs/dbraw/zinc/31/41/42/559314142.db2.gz DZRIEQUNJKETDS-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416658871 559328232 /nfs/dbraw/zinc/32/82/32/559328232.db2.gz GOZPLELWGWNUGE-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420007861 559468702 /nfs/dbraw/zinc/46/87/02/559468702.db2.gz CWKLLWYTJJIHHM-CQSZACIVSA-N 0 3 363.336 2.046 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420452113 559488142 /nfs/dbraw/zinc/48/81/42/559488142.db2.gz BZUJDDPBPYJVDJ-INIZCTEOSA-N 0 3 363.439 2.444 20 5 FEBDHN N[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000422941925 559612296 /nfs/dbraw/zinc/61/22/96/559612296.db2.gz WAWAIYUSYJZZDM-ZDUSSCGKSA-N 0 3 360.336 2.269 20 5 FEBDHN N[C@H](CC1CCCCC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411995 559628231 /nfs/dbraw/zinc/62/82/31/559628231.db2.gz GRVNQUBJTOIZAT-GOEBONIOSA-N 0 3 361.446 2.300 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CO)C1CCOCC1 ZINC000425457055 559703210 /nfs/dbraw/zinc/70/32/10/559703210.db2.gz KPIHXDWFFAGAMV-ZDUSSCGKSA-N 0 3 359.220 2.234 20 5 FEBDHN C[C@H]1C[C@H]1N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018053 559788807 /nfs/dbraw/zinc/78/88/07/559788807.db2.gz HJLRYJNQJDXQBA-RVKKMQEKSA-N 0 3 372.469 2.146 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434019665 559892548 /nfs/dbraw/zinc/89/25/48/559892548.db2.gz AUPANLHLPHHXQC-UHFFFAOYSA-N 0 3 367.450 2.061 20 5 FEBDHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434493774 559901505 /nfs/dbraw/zinc/90/15/05/559901505.db2.gz VSGFUJHBCSPSBS-CYBMUJFWSA-N 0 3 364.475 2.047 20 5 FEBDHN CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000436183556 559937067 /nfs/dbraw/zinc/93/70/67/559937067.db2.gz AWFLIBQOHTZGDQ-HNNXBMFYSA-N 0 3 357.414 2.088 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443653111 560089250 /nfs/dbraw/zinc/08/92/50/560089250.db2.gz LHSBLNBSYHKBLW-BETUJISGSA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785871 560092908 /nfs/dbraw/zinc/09/29/08/560092908.db2.gz YHSFWSJBGQOOMR-KBPBESRZSA-N 0 3 355.460 2.277 20 5 FEBDHN CN(C)[C@@H]1CCOc2c(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cccc21 ZINC000447725059 560168020 /nfs/dbraw/zinc/16/80/20/560168020.db2.gz ZJFFSHSURXFTKW-CYBMUJFWSA-N 0 3 358.354 2.333 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448325851 560184950 /nfs/dbraw/zinc/18/49/50/560184950.db2.gz SZXNKDFAYPKLLG-OAHLLOKOSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@]12CN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555951 560189781 /nfs/dbraw/zinc/18/97/81/560189781.db2.gz NSHANPLCDLUPSN-ILKHFPFNSA-N 0 3 367.405 2.371 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448710773 560195904 /nfs/dbraw/zinc/19/59/04/560195904.db2.gz VBCNGHVDEOFPNO-CQSZACIVSA-N 0 3 357.414 2.242 20 5 FEBDHN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000449069944 560214791 /nfs/dbraw/zinc/21/47/91/560214791.db2.gz BDNFXWGNGDXOPJ-IUODEOHRSA-N 0 3 363.414 2.234 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccnc1N1CCN(C)CC1 ZINC000449104444 560216304 /nfs/dbraw/zinc/21/63/04/560216304.db2.gz FQZLSXBGYVHYFW-MRXNPFEDSA-N 0 3 369.469 2.462 20 5 FEBDHN COc1cc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508777 560232293 /nfs/dbraw/zinc/23/22/93/560232293.db2.gz NRFGAQKMLHKAQP-KBXCAEBGSA-N 0 3 350.415 2.499 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449931058 560245614 /nfs/dbraw/zinc/24/56/14/560245614.db2.gz XWALEBNSBCUYBF-DZGCQCFKSA-N 0 3 357.414 2.335 20 5 FEBDHN CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449956783 560246339 /nfs/dbraw/zinc/24/63/39/560246339.db2.gz AXKDMDSGLSLUTB-QGZVFWFLSA-N 0 3 357.414 2.397 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCCN1CCCO ZINC000450594307 560267414 /nfs/dbraw/zinc/26/74/14/560267414.db2.gz KFJITEXPXLTNRZ-LLVKDONJSA-N 0 3 359.224 2.011 20 5 FEBDHN CCO[C@@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475611 560309258 /nfs/dbraw/zinc/30/92/58/560309258.db2.gz CLWSAJFIXHVAFF-DLBZAZTESA-N 0 3 359.426 2.421 20 5 FEBDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451651102 560319599 /nfs/dbraw/zinc/31/95/99/560319599.db2.gz MEUGBIXAEUUDFU-AWEZNQCLSA-N 0 3 355.460 2.384 20 5 FEBDHN CO[C@@H]1C[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845656 560332089 /nfs/dbraw/zinc/33/20/89/560332089.db2.gz ITQOLMIEAJCNRA-XOKHGSTOSA-N 0 3 350.415 2.224 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C ZINC000451881210 560334351 /nfs/dbraw/zinc/33/43/51/560334351.db2.gz ASCTUZFRBLRZGD-UHFFFAOYSA-N 0 3 359.448 2.002 20 5 FEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452035016 560346949 /nfs/dbraw/zinc/34/69/49/560346949.db2.gz MZOJHKIHLFEFAH-UKRRQHHQSA-N 0 3 351.403 2.479 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1CCCO ZINC000452786246 560373964 /nfs/dbraw/zinc/37/39/64/560373964.db2.gz XFHDFKSUEVCCRA-CYBMUJFWSA-N 0 3 355.822 2.133 20 5 FEBDHN CNc1nc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455993899 560503826 /nfs/dbraw/zinc/50/38/26/560503826.db2.gz LWXWEYSFSHPVFL-CYBMUJFWSA-N 0 3 357.414 2.282 20 5 FEBDHN Cc1c(C(=O)NC(C)(C)CN2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457035585 560545110 /nfs/dbraw/zinc/54/51/10/560545110.db2.gz PLPPNZXDXDGFSV-UHFFFAOYSA-N 0 3 372.429 2.088 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)Cn3ccnn3)s2)cc1 ZINC000459699641 560702998 /nfs/dbraw/zinc/70/29/98/560702998.db2.gz OPGHWSBZZLIIHJ-AWEZNQCLSA-N 0 3 359.411 2.066 20 5 FEBDHN COc1ccc([C@H](CO)C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000459760862 560706605 /nfs/dbraw/zinc/70/66/05/560706605.db2.gz URRZCARBUVOGPE-AWEZNQCLSA-N 0 3 362.382 2.183 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459759010 560706655 /nfs/dbraw/zinc/70/66/55/560706655.db2.gz LQZTVLDDISSALK-IUIKQTSFSA-N 0 3 363.414 2.478 20 5 FEBDHN COCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000464708747 560848895 /nfs/dbraw/zinc/84/88/95/560848895.db2.gz IUARAYPCWZTIIZ-UHFFFAOYSA-N 0 3 367.421 2.236 20 5 FEBDHN C[C@@H](C(=O)NCCCN1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105887 560974517 /nfs/dbraw/zinc/97/45/17/560974517.db2.gz RIYNAVJCNBKPJI-UONOGXRCSA-N 0 3 367.421 2.455 20 5 FEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000470178060 560976110 /nfs/dbraw/zinc/97/61/10/560976110.db2.gz WLJKSQWIUDQFTN-XGCMIMOYSA-N 0 3 372.425 2.308 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475584456 561100403 /nfs/dbraw/zinc/10/04/03/561100403.db2.gz YUZJHJWDHAKVKN-CQSZACIVSA-N 0 3 350.419 2.444 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000475692788 561102448 /nfs/dbraw/zinc/10/24/48/561102448.db2.gz BFFYJNVRFJQQGT-AWEZNQCLSA-N 0 3 352.387 2.005 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000477006946 561134200 /nfs/dbraw/zinc/13/42/00/561134200.db2.gz BACXNSBDZKPGOM-IAQYHMDHSA-N 0 3 363.443 2.203 20 5 FEBDHN COC(=O)c1cc2c(o1)c(OC)ccc2CNCCn1cc([N+](=O)[O-])cn1 ZINC000533186653 562500894 /nfs/dbraw/zinc/50/08/94/562500894.db2.gz ICPKFBITCGCWOB-UHFFFAOYSA-N 0 3 374.353 2.123 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866799 562520199 /nfs/dbraw/zinc/52/01/99/562520199.db2.gz MSQAWPIIPKYAJG-CYBMUJFWSA-N 0 3 373.413 2.155 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1=O ZINC000534491065 562534991 /nfs/dbraw/zinc/53/49/91/562534991.db2.gz DHHQSZNNSDPLSX-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602784 562616204 /nfs/dbraw/zinc/61/62/04/562616204.db2.gz XBYMZSJXFCCGET-NVXWUHKLSA-N 0 3 362.430 2.426 20 5 FEBDHN CC[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736569731 599259708 /nfs/dbraw/zinc/25/97/08/599259708.db2.gz INJSRDAZCJXJOE-UHFFFAOYSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736569731 599259709 /nfs/dbraw/zinc/25/97/09/599259709.db2.gz INJSRDAZCJXJOE-UHFFFAOYSA-N 0 3 368.401 2.219 20 5 FEBDHN CC(COC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[N+](=O)[O-] ZINC000813102002 674719431 /nfs/dbraw/zinc/71/94/31/674719431.db2.gz MOPPCIRKTNCIKE-SECBINFHSA-N 0 3 369.424 2.137 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[N+](=O)[O-] ZINC000813105991 674720108 /nfs/dbraw/zinc/72/01/08/674720108.db2.gz XEGSUALLLSCOSK-NWDGAFQWSA-N 0 3 353.350 2.278 20 5 FEBDHN CC(COC(=O)c1ccn(-c2cccc(Br)c2)n1)[N+](=O)[O-] ZINC000813108237 674720461 /nfs/dbraw/zinc/72/04/61/674720461.db2.gz WKJHBYQVHCEVAL-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+](C)C ZINC000813730230 674774938 /nfs/dbraw/zinc/77/49/38/674774938.db2.gz MHBDQUADWSDSPU-MRVPVSSYSA-N 0 3 370.258 2.378 20 5 FEBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127973 674848395 /nfs/dbraw/zinc/84/83/95/674848395.db2.gz YLGRELJIGFTDDE-SFYZADRCSA-N 0 3 355.338 2.018 20 5 FEBDHN C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000814987837 674893358 /nfs/dbraw/zinc/89/33/58/674893358.db2.gz FYXUOQDQNQGJIQ-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000065978381 670435982 /nfs/dbraw/zinc/43/59/82/670435982.db2.gz NOYUIUONDGUXOJ-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN CO[C@@H]1[C@H](C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452247 675122525 /nfs/dbraw/zinc/12/25/25/675122525.db2.gz ZRPDHFHQARHJOX-BYCMXARLSA-N 0 3 356.444 2.018 20 5 FEBDHN CC(C)N(CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000574939085 671287513 /nfs/dbraw/zinc/28/75/13/671287513.db2.gz AKXFEHXAXREICY-UHFFFAOYSA-N 0 3 357.476 2.077 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134982 675956399 /nfs/dbraw/zinc/95/63/99/675956399.db2.gz ICEHETOULDFPGK-KGLIPLIRSA-N 0 3 355.460 2.397 20 5 FEBDHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2cnccc21 ZINC000176974841 672378724 /nfs/dbraw/zinc/37/87/24/672378724.db2.gz GDGBSLFZFGNJTF-UHFFFAOYSA-N 0 3 368.802 2.288 20 5 FEBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)CO ZINC000589254086 672516944 /nfs/dbraw/zinc/51/69/44/672516944.db2.gz BGRYBEHKZWIELJ-UHFFFAOYSA-N 0 3 364.183 2.402 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590046968 672556436 /nfs/dbraw/zinc/55/64/36/672556436.db2.gz QEUYGKLGAQXGHI-HZMBPMFUSA-N 0 3 368.231 2.442 20 5 FEBDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593722177 672983215 /nfs/dbraw/zinc/98/32/15/672983215.db2.gz IEENETGIWLZOMN-UHFFFAOYSA-N 0 3 368.821 2.131 20 5 FEBDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779963 673324450 /nfs/dbraw/zinc/32/44/50/673324450.db2.gz HBEGXAJSWHZFBL-CUOATXAZSA-N 0 3 353.806 2.468 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1 ZINC000598572004 673584953 /nfs/dbraw/zinc/58/49/53/673584953.db2.gz JRCRWOPQIMXINL-AWEZNQCLSA-N 0 3 370.247 2.356 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000740894707 673659712 /nfs/dbraw/zinc/65/97/12/673659712.db2.gz VSHLHQCEXPCIAZ-NEPJUHHUSA-N 0 3 359.423 2.227 20 5 FEBDHN COc1cc(CN2CC3(CCOCC3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000599542844 673689832 /nfs/dbraw/zinc/68/98/32/673689832.db2.gz FHLUVSVJJUGGBX-HNNXBMFYSA-N 0 3 350.415 2.357 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)n1 ZINC000599544972 673690074 /nfs/dbraw/zinc/69/00/74/673690074.db2.gz ONFZVUFLZBTWJU-BXUZGUMPSA-N 0 3 356.304 2.316 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625764 673698816 /nfs/dbraw/zinc/69/88/16/673698816.db2.gz OKGHCQPSVXIONE-RPHNGCRZSA-N 0 3 351.403 2.332 20 5 FEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CCCS1 ZINC000600164976 673745388 /nfs/dbraw/zinc/74/53/88/673745388.db2.gz MPZIGAKFPSBWJY-OAHLLOKOSA-N 0 3 373.500 2.091 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602846450 673911758 /nfs/dbraw/zinc/91/17/58/673911758.db2.gz OPTVDZMCGRLPIB-JSGCOSHPSA-N 0 3 352.435 2.399 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926737 673913915 /nfs/dbraw/zinc/91/39/15/673913915.db2.gz WUTJTRBSDQFMKS-CYBMUJFWSA-N 0 3 358.320 2.442 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825456186 675653826 /nfs/dbraw/zinc/65/38/26/675653826.db2.gz MAZRQLANKKKVHM-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825644194 675662044 /nfs/dbraw/zinc/66/20/44/675662044.db2.gz XRDAGTDIALJUQE-NWDGAFQWSA-N 0 3 353.806 2.150 20 5 FEBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839529408 680759581 /nfs/dbraw/zinc/75/95/81/680759581.db2.gz GPFHOJVZZXXBBQ-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217667 679948814 /nfs/dbraw/zinc/94/88/14/679948814.db2.gz FWSXMKLROQKCDW-QEORTHHSSA-N 0 3 367.833 2.397 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186123 680565167 /nfs/dbraw/zinc/56/51/67/680565167.db2.gz NCQQYVOBJRKSGC-LBPRGKRZSA-N 0 3 350.375 2.366 20 5 FEBDHN COC(=O)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845873570 681158278 /nfs/dbraw/zinc/15/82/78/681158278.db2.gz DBZOVQIXHDNOKW-OQPBUACISA-N 0 3 352.274 2.164 20 5 FEBDHN CC([C@H](OC(=O)c1ccoc1CC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881997 681159103 /nfs/dbraw/zinc/15/91/03/681159103.db2.gz NJJNQBUWBPMOCS-PSLIRLAXSA-N 0 3 350.302 2.010 20 5 FEBDHN CCCN1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845882540 681159189 /nfs/dbraw/zinc/15/91/89/681159189.db2.gz VDRXYKSLIMNBTI-HSMVNMDESA-N 0 3 352.362 2.334 20 5 FEBDHN COCCN1CC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932264553 681208987 /nfs/dbraw/zinc/20/89/87/681208987.db2.gz ZOIQAGSZAYTBON-LBPRGKRZSA-N 0 3 355.822 2.018 20 5 FEBDHN COC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000852320948 682260161 /nfs/dbraw/zinc/26/01/61/682260161.db2.gz HUVYXWAIIDFXRW-AWEZNQCLSA-N 0 3 371.821 2.218 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000918359786 685538795 /nfs/dbraw/zinc/53/87/95/685538795.db2.gz JPOHBARGTFOTCY-HZPDHXFCSA-N 0 3 371.434 2.005 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917829215 685534891 /nfs/dbraw/zinc/53/48/91/685534891.db2.gz OZCIBMTWPBMYLK-CJNGLKHVSA-N 0 3 350.419 2.066 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791211397 682728693 /nfs/dbraw/zinc/72/86/93/682728693.db2.gz OISXIMJBJNJPQA-LBPRGKRZSA-N 0 3 352.410 2.404 20 5 FEBDHN C[NH+]1CCC(O[N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000861550190 683434299 /nfs/dbraw/zinc/43/42/99/683434299.db2.gz CSGUHHSLTISVAV-UHFFFAOYSA-N 0 3 358.192 2.113 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1F ZINC000866972199 684189512 /nfs/dbraw/zinc/18/95/12/684189512.db2.gz NQKLZRBUKMBBBK-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000867308824 684244073 /nfs/dbraw/zinc/24/40/73/684244073.db2.gz NYLCOQSPVNFTPV-JQWIXIFHSA-N 0 3 361.851 2.270 20 5 FEBDHN CCOc1cc(CN2CCN(CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000931495369 684291994 /nfs/dbraw/zinc/29/19/94/684291994.db2.gz JUQMKNIVXCQVHS-UHFFFAOYSA-N 0 3 351.447 2.274 20 5 FEBDHN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCCN(C2CC2)C1=O ZINC000924056656 684397408 /nfs/dbraw/zinc/39/74/08/684397408.db2.gz XQPJKSUACOPKBS-LLVKDONJSA-N 0 3 354.309 2.317 20 5 FEBDHN CC(C)OC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000872244538 684931262 /nfs/dbraw/zinc/93/12/62/684931262.db2.gz NDAMLOGGLGEBKB-UHFFFAOYSA-N 0 3 356.444 2.306 20 5 FEBDHN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000879406088 686816106 /nfs/dbraw/zinc/81/61/06/686816106.db2.gz LNWUESIWNWVSFD-OAHLLOKOSA-N 0 3 356.444 2.306 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000885874847 688175394 /nfs/dbraw/zinc/17/53/94/688175394.db2.gz BIISLPQCCVYOIG-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000890072266 688875242 /nfs/dbraw/zinc/87/52/42/688875242.db2.gz PUOPGIYIQPTQSX-UHFFFAOYSA-N 0 3 371.235 2.214 20 5 FEBDHN CO[C@@H](CNCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000895611162 689744181 /nfs/dbraw/zinc/74/41/81/689744181.db2.gz SAUODJNHIRLUBL-FZMZJTMJSA-N 0 3 359.220 2.498 20 5 FEBDHN Cn1nnc2c1C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000897347913 690010284 /nfs/dbraw/zinc/01/02/84/690010284.db2.gz WVFMNOMHKJDHFM-SSDOTTSWSA-N 0 3 372.248 2.194 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCO[C@@]12CCOC2 ZINC000903216560 690868343 /nfs/dbraw/zinc/86/83/43/690868343.db2.gz DCTCHJKZQRYSCP-UONOGXRCSA-N 0 3 357.204 2.395 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902109 721520520 /nfs/dbraw/zinc/52/05/20/721520520.db2.gz ZGLLPAZGMFXANQ-GDBMZVCRSA-N 0 3 358.373 2.471 20 5 FEBDHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000800309757 674040578 /nfs/dbraw/zinc/04/05/78/674040578.db2.gz RMCLIMNGNUTEEA-HZMBPMFUSA-N 0 3 361.851 2.056 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032247118 539931845 /nfs/dbraw/zinc/93/18/45/539931845.db2.gz XOEWDIAMCSHEME-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2(N(C)C)CCCC2)c1C ZINC000041630935 540028522 /nfs/dbraw/zinc/02/85/22/540028522.db2.gz KZXZUCNFVIUEPQ-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000052781247 540489266 /nfs/dbraw/zinc/48/92/66/540489266.db2.gz ZZDGEOBXGDQKCS-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676255 540601707 /nfs/dbraw/zinc/60/17/07/540601707.db2.gz XXJBJYZCUCXBLH-CYBMUJFWSA-N 0 3 359.386 2.494 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056140902 540706392 /nfs/dbraw/zinc/70/63/92/540706392.db2.gz ZLWFTZPLPMRKTK-AGUYFDCRSA-N 0 3 353.444 2.054 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000056140902 540706395 /nfs/dbraw/zinc/70/63/95/540706395.db2.gz ZLWFTZPLPMRKTK-AGUYFDCRSA-N 0 3 353.444 2.054 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000064312892 541200933 /nfs/dbraw/zinc/20/09/33/541200933.db2.gz PSTNWNBKTWHFDM-IJLUTSLNSA-N 0 3 352.410 2.412 20 5 FEBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066641804 541353411 /nfs/dbraw/zinc/35/34/11/541353411.db2.gz UKEGSHNLQOVNFP-UHFFFAOYSA-N 0 3 363.414 2.312 20 5 FEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000067706479 541502554 /nfs/dbraw/zinc/50/25/54/541502554.db2.gz DLQIFYTYAOCVIK-INIZCTEOSA-N 0 3 354.410 2.397 20 5 FEBDHN COc1cc(OCC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068882474 541636614 /nfs/dbraw/zinc/63/66/14/541636614.db2.gz WWCBLXYEEOCTCZ-ZIAGYGMSSA-N 0 3 365.430 2.219 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069034478 541650105 /nfs/dbraw/zinc/65/01/05/541650105.db2.gz YEUFKNBZEPFRPP-CQSZACIVSA-N 0 3 350.419 2.147 20 5 FEBDHN CCN1CCN(Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000071954624 541776341 /nfs/dbraw/zinc/77/63/41/541776341.db2.gz YAFJQCBEFSLEKY-UHFFFAOYSA-N 0 3 358.446 2.078 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000071895880 541774791 /nfs/dbraw/zinc/77/47/91/541774791.db2.gz VEPRRXWNQCTPRI-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000072022901 541779303 /nfs/dbraw/zinc/77/93/03/541779303.db2.gz JVULLORXDSPRNK-OAHLLOKOSA-N 0 3 365.459 2.442 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072855592 541882176 /nfs/dbraw/zinc/88/21/76/541882176.db2.gz XYLPXUDPGQOQGY-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077140534 542348452 /nfs/dbraw/zinc/34/84/52/542348452.db2.gz QOKNZARGHOWKBJ-ZDUSSCGKSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077140534 542348455 /nfs/dbraw/zinc/34/84/55/542348455.db2.gz QOKNZARGHOWKBJ-ZDUSSCGKSA-N 0 3 357.414 2.363 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000079709693 542538478 /nfs/dbraw/zinc/53/84/78/542538478.db2.gz ILVQLWMDQJOWBY-RDJZCZTQSA-N 0 3 371.441 2.351 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000103976512 543119794 /nfs/dbraw/zinc/11/97/94/543119794.db2.gz PBRHGJYMNJHUBR-HNNXBMFYSA-N 0 3 363.414 2.328 20 5 FEBDHN O=C1[C@H](N2CCN(C3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109130783 543314927 /nfs/dbraw/zinc/31/49/27/543314927.db2.gz LXNPCVUHIPGCFM-GOSISDBHSA-N 0 3 358.442 2.260 20 5 FEBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C)C1 ZINC000109986185 543345697 /nfs/dbraw/zinc/34/56/97/543345697.db2.gz MWKCHWVNIGDFBR-STQMWFEESA-N 0 3 372.425 2.287 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000110993885 543377969 /nfs/dbraw/zinc/37/79/69/543377969.db2.gz FJULWRLJLUCABG-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000110994974 543377993 /nfs/dbraw/zinc/37/79/93/543377993.db2.gz SKPOIKNLLYFRCO-MRXNPFEDSA-N 0 3 372.429 2.088 20 5 FEBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000112852324 543465146 /nfs/dbraw/zinc/46/51/46/543465146.db2.gz KGVADHMQVPDBQZ-HUUCEWRRSA-N 0 3 374.441 2.175 20 5 FEBDHN CCCN1CCCN(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000114463550 543518606 /nfs/dbraw/zinc/51/86/06/543518606.db2.gz RCNQLJMQSCDFFH-UHFFFAOYSA-N 0 3 364.446 2.350 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115586065 543575800 /nfs/dbraw/zinc/57/58/00/543575800.db2.gz NTOMMVDPKJQOCE-NSHDSACASA-N 0 3 361.851 2.211 20 5 FEBDHN CSc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000116451573 543608747 /nfs/dbraw/zinc/60/87/47/543608747.db2.gz AADCGZHFNCCJLK-AWEZNQCLSA-N 0 3 367.471 2.139 20 5 FEBDHN O=C(CC1(N2CCOCC2)CCCC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122790866 543724370 /nfs/dbraw/zinc/72/43/70/543724370.db2.gz SSMUMSHAYWAHKA-UHFFFAOYSA-N 0 3 373.413 2.445 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000122828351 543726050 /nfs/dbraw/zinc/72/60/50/543726050.db2.gz VLZDSRVWLIRQRX-AWEZNQCLSA-N 0 3 367.471 2.283 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123896947 543790000 /nfs/dbraw/zinc/79/00/00/543790000.db2.gz YILCWGZIQKIPKK-IUODEOHRSA-N 0 3 363.414 2.326 20 5 FEBDHN Cc1c(NC(=O)CCN2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000125238922 543869640 /nfs/dbraw/zinc/86/96/40/543869640.db2.gz WJVHYKOZUFSCSM-UHFFFAOYSA-N 0 3 369.425 2.449 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000126872288 543960906 /nfs/dbraw/zinc/96/09/06/543960906.db2.gz GRSXDXFVWURMIK-CQSZACIVSA-N 0 3 359.382 2.148 20 5 FEBDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000128338504 544047250 /nfs/dbraw/zinc/04/72/50/544047250.db2.gz KCEHIIFAIKVSBH-UHFFFAOYSA-N 0 3 361.427 2.427 20 5 FEBDHN Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000128338504 544047252 /nfs/dbraw/zinc/04/72/52/544047252.db2.gz KCEHIIFAIKVSBH-UHFFFAOYSA-N 0 3 361.427 2.427 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)COC[C@@H]2CCCO2)C2CC2)cc1 ZINC000130821720 544166707 /nfs/dbraw/zinc/16/67/07/544166707.db2.gz VLOLPNIIFNQKBE-ROUUACIJSA-N 0 3 350.415 2.116 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078644242 221670116 /nfs/dbraw/zinc/67/01/16/221670116.db2.gz AOTNQDYHEUYXMN-GFCCVEGCSA-N 0 3 356.810 2.481 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134850323 544323859 /nfs/dbraw/zinc/32/38/59/544323859.db2.gz HOPFBXUBQMEUSI-HNNXBMFYSA-N 0 3 355.822 2.431 20 5 FEBDHN COc1ccccc1[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1 ZINC000137051409 544383981 /nfs/dbraw/zinc/38/39/81/544383981.db2.gz BRJPCVQODUKTEV-CQSZACIVSA-N 0 3 373.413 2.284 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146584621 544440328 /nfs/dbraw/zinc/44/03/28/544440328.db2.gz MEHNDJSSESHUEU-OAHLLOKOSA-N 0 3 353.444 2.016 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000154353942 544895635 /nfs/dbraw/zinc/89/56/35/544895635.db2.gz STHSYQKLHPOOST-CQSZACIVSA-N 0 3 351.451 2.153 20 5 FEBDHN CCN1CCN([C@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553275843 674249888 /nfs/dbraw/zinc/24/98/88/674249888.db2.gz VYPOOBCCKIKMNG-LLVKDONJSA-N 0 3 350.448 2.037 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCOC2=O)c1 ZINC000181301174 327724151 /nfs/dbraw/zinc/72/41/51/327724151.db2.gz HJVOLXWDYZWNIQ-CYBMUJFWSA-N 0 3 372.381 2.064 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000184634840 327876641 /nfs/dbraw/zinc/87/66/41/327876641.db2.gz VQZCVAQTMOPPES-UHFFFAOYSA-N 0 3 367.471 2.421 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186769527 327981528 /nfs/dbraw/zinc/98/15/28/327981528.db2.gz RYBSKVIDIYJOEC-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187460725 328027258 /nfs/dbraw/zinc/02/72/58/328027258.db2.gz AJJDXLVMAIRVQP-MRXNPFEDSA-N 0 3 371.441 2.277 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000188081411 328064639 /nfs/dbraw/zinc/06/46/39/328064639.db2.gz PKPYPUMUNAIRAT-UHFFFAOYSA-N 0 3 363.414 2.328 20 5 FEBDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000188239770 328075041 /nfs/dbraw/zinc/07/50/41/328075041.db2.gz VHAQMDLPCMBYBZ-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000188255667 328076170 /nfs/dbraw/zinc/07/61/70/328076170.db2.gz QGRCKPACNRXMJZ-UHFFFAOYSA-N 0 3 371.459 2.100 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN2CCC1CC2 ZINC000188643377 328100863 /nfs/dbraw/zinc/10/08/63/328100863.db2.gz LSLHQDHPIXWDKM-UHFFFAOYSA-N 0 3 368.231 2.206 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N(C)CC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000189947680 328177968 /nfs/dbraw/zinc/17/79/68/328177968.db2.gz SCDANLQLQRMYQU-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000190805088 328233665 /nfs/dbraw/zinc/23/36/65/328233665.db2.gz QYQSKBSHMCHOKH-UHFFFAOYSA-N 0 3 372.429 2.409 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)n1 ZINC000191716854 328278517 /nfs/dbraw/zinc/27/85/17/328278517.db2.gz JKBXCQJYYFNZIW-MRXNPFEDSA-N 0 3 371.441 2.452 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192114668 328300469 /nfs/dbraw/zinc/30/04/69/328300469.db2.gz JITAUASAXZYUCA-NVXWUHKLSA-N 0 3 365.336 2.155 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)CC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000078455434 325046191 /nfs/dbraw/zinc/04/61/91/325046191.db2.gz GHNYAMCGBPICET-CYBMUJFWSA-N 0 3 350.419 2.477 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000078650793 325055825 /nfs/dbraw/zinc/05/58/25/325055825.db2.gz WHVNJXFICKQJNK-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN COCCN(C)CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079541196 325096138 /nfs/dbraw/zinc/09/61/38/325096138.db2.gz DHPZOZICKFVCFA-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079677974 325101582 /nfs/dbraw/zinc/10/15/82/325101582.db2.gz VCBOPRKNICTCST-QGZVFWFLSA-N 0 3 370.453 2.320 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000081997028 325205730 /nfs/dbraw/zinc/20/57/30/325205730.db2.gz WPQLBOTVUHRPNI-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000090015441 325351548 /nfs/dbraw/zinc/35/15/48/325351548.db2.gz DQCUJLSJTWFUCW-NSHDSACASA-N 0 3 355.441 2.285 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000090552059 325363280 /nfs/dbraw/zinc/36/32/80/325363280.db2.gz ZBARNFQFJLXMRZ-SFHVURJKSA-N 0 3 357.410 2.090 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000090551954 325363523 /nfs/dbraw/zinc/36/35/23/325363523.db2.gz MZCNJYPBOIQTSW-HIFRSBDPSA-N 0 3 363.439 2.406 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1Cl ZINC000116816173 326036636 /nfs/dbraw/zinc/03/66/36/326036636.db2.gz CUKRKBKHPXWPRT-UHFFFAOYSA-N 0 3 367.793 2.024 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000120669785 326277411 /nfs/dbraw/zinc/27/74/11/326277411.db2.gz WVKVRQKQNUNRNU-WDEREUQCSA-N 0 3 368.821 2.128 20 5 FEBDHN O=C(CN[C@H]1CCCC[C@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128859758 326530994 /nfs/dbraw/zinc/53/09/94/326530994.db2.gz WQKMKSYSSHLZCO-FUHWJXTLSA-N 0 3 369.425 2.454 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000162723656 327033093 /nfs/dbraw/zinc/03/30/93/327033093.db2.gz JOESIMHDLACJPM-UKRRQHHQSA-N 0 3 357.414 2.443 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618628 327148613 /nfs/dbraw/zinc/14/86/13/327148613.db2.gz JQCPUZQSBLMEQT-AWEZNQCLSA-N 0 3 357.414 2.391 20 5 FEBDHN CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)(N2CCCCC2)CC1 ZINC000172752549 327216915 /nfs/dbraw/zinc/21/69/15/327216915.db2.gz ZZQRKZSLDBTYFP-UHFFFAOYSA-N 0 3 366.487 2.336 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173572358 327267887 /nfs/dbraw/zinc/26/78/87/327267887.db2.gz PCFRCCKWKCCJJT-INIZCTEOSA-N 0 3 374.441 2.222 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)s1 ZINC000173627032 327272003 /nfs/dbraw/zinc/27/20/03/327272003.db2.gz LJRPNKVPGZCXRW-GFCCVEGCSA-N 0 3 359.473 2.153 20 5 FEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718354 327345495 /nfs/dbraw/zinc/34/54/95/327345495.db2.gz UFDOBDYYTPUNDW-ZWNOBZJWSA-N 0 3 356.329 2.104 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000175128126 327375693 /nfs/dbraw/zinc/37/56/93/327375693.db2.gz UKZRRJFGJMAAGC-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 ZINC000264666110 329046284 /nfs/dbraw/zinc/04/62/84/329046284.db2.gz ZNSHOUMYBOEFOE-KRWDZBQOSA-N 0 3 367.471 2.375 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264880119 329070492 /nfs/dbraw/zinc/07/04/92/329070492.db2.gz CMOJIAIYOSJUSW-CYBMUJFWSA-N 0 3 363.414 2.360 20 5 FEBDHN CCN1CCN(Cc2ccccc2CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265092687 329090120 /nfs/dbraw/zinc/09/01/20/329090120.db2.gz AUNGIDRAOHWONN-UHFFFAOYSA-N 0 3 372.473 2.386 20 5 FEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980823 329178768 /nfs/dbraw/zinc/17/87/68/329178768.db2.gz YXSQRJHKRGRKHO-QWHCGFSZSA-N 0 3 365.430 2.462 20 5 FEBDHN CN(Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266569069 329237181 /nfs/dbraw/zinc/23/71/81/329237181.db2.gz KXFBSFGBGOOQGH-AWEZNQCLSA-N 0 3 369.219 2.047 20 5 FEBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267279459 329310088 /nfs/dbraw/zinc/31/00/88/329310088.db2.gz VAEKBCJVTGIPJF-UHFFFAOYSA-N 0 3 372.267 2.190 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160130 329392039 /nfs/dbraw/zinc/39/20/39/329392039.db2.gz VKCRFPAIPCAGRV-DGCLKSJQSA-N 0 3 351.403 2.071 20 5 FEBDHN C[C@H](CC[S@@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268455470 329421883 /nfs/dbraw/zinc/42/18/83/329421883.db2.gz XHOITJZUMCDIDK-OIRASMEMSA-N 0 3 350.444 2.242 20 5 FEBDHN Cn1cc(CNC[C@](C)(O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270585377 329612554 /nfs/dbraw/zinc/61/25/54/329612554.db2.gz XIKQKQPQCYBEFC-AWEZNQCLSA-N 0 3 358.320 2.398 20 5 FEBDHN C[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000367206631 330230164 /nfs/dbraw/zinc/23/01/64/330230164.db2.gz RWGKKBAEFMYYRY-LJQANCHMSA-N 0 3 371.441 2.210 20 5 FEBDHN COc1ccc(OCCN(CCO)[C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000433184864 330275422 /nfs/dbraw/zinc/27/54/22/330275422.db2.gz YFKIABNGFWQMGH-CYBMUJFWSA-N 0 3 356.444 2.172 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247559977 549357885 /nfs/dbraw/zinc/35/78/85/549357885.db2.gz ZNRFJFZCTLCFQF-GXTWGEPZSA-N 0 3 372.429 2.039 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N(C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155907190 545582631 /nfs/dbraw/zinc/58/26/31/545582631.db2.gz KWVZYLRDPVEMHV-LBPRGKRZSA-N 0 3 351.403 2.289 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC1CCOCC1 ZINC000155973476 545588106 /nfs/dbraw/zinc/58/81/06/545588106.db2.gz VYXWXUMXIVQWKH-LBPRGKRZSA-N 0 3 351.403 2.289 20 5 FEBDHN CCN1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000159892273 545989394 /nfs/dbraw/zinc/98/93/94/545989394.db2.gz PCPZFMHADZTLKK-UHFFFAOYSA-N 0 3 363.462 2.442 20 5 FEBDHN COCCN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176714946 546479453 /nfs/dbraw/zinc/47/94/53/546479453.db2.gz OUMVRMSTZYIKFA-CQSZACIVSA-N 0 3 352.435 2.184 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480760321 561216084 /nfs/dbraw/zinc/21/60/84/561216084.db2.gz QWESMOQABGHVQA-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN C[C@@H](CCc1ccco1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005207 546721125 /nfs/dbraw/zinc/72/11/25/546721125.db2.gz BEDXYBURELKGMI-ZDUSSCGKSA-N 0 3 367.427 2.077 20 5 FEBDHN CN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000178724497 546839150 /nfs/dbraw/zinc/83/91/50/546839150.db2.gz SOOMQQIYBSIHGG-UHFFFAOYSA-N 0 3 372.469 2.434 20 5 FEBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745294 561240729 /nfs/dbraw/zinc/24/07/29/561240729.db2.gz CHFYAHMSRNZIFD-GOEBONIOSA-N 0 3 352.387 2.016 20 5 FEBDHN CN(C)Cc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000180053917 547044181 /nfs/dbraw/zinc/04/41/81/547044181.db2.gz LHNAVDPBCONSKW-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1Cc1ccccc1 ZINC000180582694 547135798 /nfs/dbraw/zinc/13/57/98/547135798.db2.gz SWMKGGBHGAPCJF-HIFRSBDPSA-N 0 3 369.425 2.355 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2cccn2)cc1 ZINC000180817970 547185262 /nfs/dbraw/zinc/18/52/62/547185262.db2.gz RVWPFFJGHCKWCO-CQSZACIVSA-N 0 3 353.382 2.293 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000183297800 547635093 /nfs/dbraw/zinc/63/50/93/547635093.db2.gz UATMRHSXDFJFOS-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000183391895 547649842 /nfs/dbraw/zinc/64/98/42/547649842.db2.gz BPOYTPCMPDEINK-MRXNPFEDSA-N 0 3 373.384 2.231 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CCO)C2CCCCC2)cc1 ZINC000183709975 547705313 /nfs/dbraw/zinc/70/53/13/547705313.db2.gz ITZYBAMUOMDMLL-QGZVFWFLSA-N 0 3 370.471 2.289 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000185282244 547964748 /nfs/dbraw/zinc/96/47/48/547964748.db2.gz LCWXHGXICRXFQJ-WFASDCNBSA-N 0 3 371.434 2.147 20 5 FEBDHN CSc1cccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000486213494 561341165 /nfs/dbraw/zinc/34/11/65/561341165.db2.gz XQDWYCHCCSTOED-ZDUSSCGKSA-N 0 3 367.471 2.139 20 5 FEBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000237319084 548817419 /nfs/dbraw/zinc/81/74/19/548817419.db2.gz LOPFTCLQJVVBTE-UHFFFAOYSA-N 0 3 359.382 2.353 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)NC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237552570 548834469 /nfs/dbraw/zinc/83/44/69/548834469.db2.gz FBWLIZNPAJRMSX-QWHCGFSZSA-N 0 3 371.441 2.279 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246102686 549052253 /nfs/dbraw/zinc/05/22/53/549052253.db2.gz LSSXDMDXXVFDCZ-GXTWGEPZSA-N 0 3 371.434 2.147 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246250543 549089036 /nfs/dbraw/zinc/08/90/36/549089036.db2.gz JFTYSUBUCHXPEC-VVWQDTPRSA-N 0 3 363.458 2.202 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc([N+](=O)[O-])c1F ZINC000246322618 549106653 /nfs/dbraw/zinc/10/66/53/549106653.db2.gz RUSJSGHWRONSGN-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000246628837 549177541 /nfs/dbraw/zinc/17/75/41/549177541.db2.gz IVRPVKYPVYBFHN-ZIAGYGMSSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246865542 549231001 /nfs/dbraw/zinc/23/10/01/549231001.db2.gz WEDGPBWCULNXSF-BBRMVZONSA-N 0 3 355.460 2.087 20 5 FEBDHN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000489944717 561422929 /nfs/dbraw/zinc/42/29/29/561422929.db2.gz GHRYAXSINFDMSL-GFCCVEGCSA-N 0 3 360.336 2.284 20 5 FEBDHN COc1ccc(OCCN2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064102 /nfs/dbraw/zinc/06/41/02/550064102.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 0 3 361.402 2.288 20 5 FEBDHN COc1ccc(OCCN2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064106 /nfs/dbraw/zinc/06/41/06/550064106.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 0 3 361.402 2.288 20 5 FEBDHN COc1ccc(OCCN2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064109 /nfs/dbraw/zinc/06/41/09/550064109.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 0 3 361.402 2.288 20 5 FEBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487546 550276863 /nfs/dbraw/zinc/27/68/63/550276863.db2.gz UBQVVJRSUSAGJT-MAUKXSAKSA-N 0 3 363.414 2.269 20 5 FEBDHN CS[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1N(C)C ZINC000270626368 550290388 /nfs/dbraw/zinc/29/03/88/550290388.db2.gz FJYZHJNSJONULU-UONOGXRCSA-N 0 3 363.443 2.122 20 5 FEBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870970 550315916 /nfs/dbraw/zinc/31/59/16/550315916.db2.gz OCJPTJYNRXBODF-PKOBYXMFSA-N 0 3 369.421 2.208 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N(C)C ZINC000271218368 550354718 /nfs/dbraw/zinc/35/47/18/550354718.db2.gz ZLAQWWLQGRCHRM-HOTGVXAUSA-N 0 3 362.455 2.123 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC2(CCOCC2)C1 ZINC000273339374 550494909 /nfs/dbraw/zinc/49/49/09/550494909.db2.gz NLWZWPDTPMKBKC-HNNXBMFYSA-N 0 3 350.415 2.227 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(N3CCOCC3)CC2)c1 ZINC000277451433 550672213 /nfs/dbraw/zinc/67/22/13/550672213.db2.gz GNTCTQSYJUDKBN-UHFFFAOYSA-N 0 3 357.357 2.151 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278390495 550780275 /nfs/dbraw/zinc/78/02/75/550780275.db2.gz ZUWOLLCQEPHOFS-LBPRGKRZSA-N 0 3 360.418 2.145 20 5 FEBDHN Cc1c(CC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278534327 550796220 /nfs/dbraw/zinc/79/62/20/550796220.db2.gz SELKVASBUNLEIS-CQSZACIVSA-N 0 3 361.442 2.157 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000280791213 551032776 /nfs/dbraw/zinc/03/27/76/551032776.db2.gz UOZRFKZSRRVBOJ-UHFFFAOYSA-N 0 3 373.461 2.139 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CCCN2CCCC2)cc([N+](=O)[O-])c1F ZINC000281692985 551131732 /nfs/dbraw/zinc/13/17/32/551131732.db2.gz ZBJBIYQGYIKOMD-UHFFFAOYSA-N 0 3 359.423 2.149 20 5 FEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1(OCCO)CCOCC1)CCC2 ZINC000282724392 551263812 /nfs/dbraw/zinc/26/38/12/551263812.db2.gz MESDNQAOQDIYAP-QGZVFWFLSA-N 0 3 350.415 2.120 20 5 FEBDHN CN(C)[C@]1(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000282893334 551282784 /nfs/dbraw/zinc/28/27/84/551282784.db2.gz XLSSLITVTUGVCU-KRWDZBQOSA-N 0 3 366.487 2.216 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498327149 561522198 /nfs/dbraw/zinc/52/21/98/561522198.db2.gz YRLRHOIHHBNHAJ-UHFFFAOYSA-N 0 3 355.822 2.431 20 5 FEBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c(C)c2)CC1 ZINC000285145743 551710969 /nfs/dbraw/zinc/71/09/69/551710969.db2.gz XGSCGNMAIVBFHN-UHFFFAOYSA-N 0 3 358.402 2.021 20 5 FEBDHN CCOc1ccc(NC(=O)CN2C[C@@H](C)N(CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000498928054 561538356 /nfs/dbraw/zinc/53/83/56/561538356.db2.gz HUKGHZMKDQKOHO-KGLIPLIRSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641972 551909592 /nfs/dbraw/zinc/90/95/92/551909592.db2.gz BHUHBAZUUWLAFC-JSGCOSHPSA-N 0 3 363.414 2.311 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641983 551909599 /nfs/dbraw/zinc/90/95/99/551909599.db2.gz BHUHBAZUUWLAFC-TZMCWYRMSA-N 0 3 363.414 2.311 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000286878782 551935996 /nfs/dbraw/zinc/93/59/96/551935996.db2.gz ZFVJLWLXUICSSZ-DZGCQCFKSA-N 0 3 353.444 2.151 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000287007272 551950870 /nfs/dbraw/zinc/95/08/70/551950870.db2.gz HRCMXJILVHFJNJ-WBMJQRKESA-N 0 3 361.398 2.080 20 5 FEBDHN C[C@@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289411569 552316866 /nfs/dbraw/zinc/31/68/66/552316866.db2.gz BMUKPYJBJUFBIX-QMMMGPOBSA-N 0 3 350.156 2.060 20 5 FEBDHN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000289519976 552334781 /nfs/dbraw/zinc/33/47/81/552334781.db2.gz NTPMWHUREMKHDG-RKDXNWHRSA-N 0 3 364.183 2.306 20 5 FEBDHN CCC(=O)N[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000500495526 561575058 /nfs/dbraw/zinc/57/50/58/561575058.db2.gz UYIOMRKVGMJFKF-AWEZNQCLSA-N 0 3 362.430 2.222 20 5 FEBDHN C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000290539487 552495320 /nfs/dbraw/zinc/49/53/20/552495320.db2.gz DYRYQYCZHSHPBG-GXTWGEPZSA-N 0 3 355.398 2.164 20 5 FEBDHN CN(CC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1[N+](=O)[O-] ZINC000291010808 552575744 /nfs/dbraw/zinc/57/57/44/552575744.db2.gz DAOWAKLEJXGHPQ-UHFFFAOYSA-N 0 3 356.382 2.152 20 5 FEBDHN COc1ccc(OCCN[C@H](C(N)=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000292044443 552687831 /nfs/dbraw/zinc/68/78/31/552687831.db2.gz ASTWXNXIUHEQTC-UGSOOPFHSA-N 0 3 373.409 2.229 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292153323 552698882 /nfs/dbraw/zinc/69/88/82/552698882.db2.gz ISINMOAQTUNOGI-IBGZPJMESA-N 0 3 358.442 2.363 20 5 FEBDHN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000501503907 561599132 /nfs/dbraw/zinc/59/91/32/561599132.db2.gz PNIVWPGEZWNRKA-LSDHHAIUSA-N 0 3 363.462 2.426 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000292725248 552752949 /nfs/dbraw/zinc/75/29/49/552752949.db2.gz GCUFLQFCLKGOTG-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292882640 552768184 /nfs/dbraw/zinc/76/81/84/552768184.db2.gz UITVMIRXRMJUQN-OAHLLOKOSA-N 0 3 373.862 2.355 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292888677 552768730 /nfs/dbraw/zinc/76/87/30/552768730.db2.gz UUUGHDBVVIGWAV-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293899040 552866378 /nfs/dbraw/zinc/86/63/78/552866378.db2.gz WIZOBMHJBMNPGT-CQSZACIVSA-N 0 3 370.457 2.175 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294282503 552893790 /nfs/dbraw/zinc/89/37/90/552893790.db2.gz ZUUNMPDNFAASMW-UHFFFAOYSA-N 0 3 351.794 2.188 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1OC ZINC000294329833 552897410 /nfs/dbraw/zinc/89/74/10/552897410.db2.gz XKUJKNKLJBBYJZ-SFHVURJKSA-N 0 3 363.414 2.170 20 5 FEBDHN COC1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])o3)CCCC2)CC1 ZINC000502495143 561619841 /nfs/dbraw/zinc/61/98/41/561619841.db2.gz MNLJUPSCWSFQCS-UHFFFAOYSA-N 0 3 351.403 2.341 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855134 561628004 /nfs/dbraw/zinc/62/80/04/561628004.db2.gz JNOVKKNKCYTXHF-OBJOEFQTSA-N 0 3 351.403 2.071 20 5 FEBDHN COC(=O)Cc1ccc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000297550127 553307773 /nfs/dbraw/zinc/30/77/73/553307773.db2.gz QTFXFUHITQIKNT-INIZCTEOSA-N 0 3 353.444 2.160 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000503452813 561641791 /nfs/dbraw/zinc/64/17/91/561641791.db2.gz IDUGWWWTAFKXAM-WMLDXEAASA-N 0 3 369.487 2.272 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(F)c1 ZINC000298801511 553474774 /nfs/dbraw/zinc/47/47/74/553474774.db2.gz GMYCPMGRRAQZQK-UHFFFAOYSA-N 0 3 371.434 2.373 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000298820726 553477341 /nfs/dbraw/zinc/47/73/41/553477341.db2.gz BJZUMONRGVIKHI-HOCLYGCPSA-N 0 3 374.441 2.235 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000503984124 561651318 /nfs/dbraw/zinc/65/13/18/561651318.db2.gz DVCMJROHZLRTBR-UHFFFAOYSA-N 0 3 373.475 2.343 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000299369159 553554282 /nfs/dbraw/zinc/55/42/82/553554282.db2.gz RWKNZQZNHQVJGI-DOTOQJQBSA-N 0 3 369.425 2.243 20 5 FEBDHN Cc1n[nH]c(C(=O)NCC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000299591670 553585585 /nfs/dbraw/zinc/58/55/85/553585585.db2.gz QKHJWPAWELVHOT-UHFFFAOYSA-N 0 3 363.443 2.330 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000299629330 553591831 /nfs/dbraw/zinc/59/18/31/553591831.db2.gz CBDWODFUZHFTOF-UHFFFAOYSA-N 0 3 359.430 2.080 20 5 FEBDHN Cc1cccc(CN2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1 ZINC000301083778 553620178 /nfs/dbraw/zinc/62/01/78/553620178.db2.gz IPHXPYNYNCFDBY-UHFFFAOYSA-N 0 3 369.425 2.474 20 5 FEBDHN O=C(c1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301446794 553652516 /nfs/dbraw/zinc/65/25/16/553652516.db2.gz KCHTWLQAUMNINV-MRXNPFEDSA-N 0 3 356.426 2.281 20 5 FEBDHN Cc1ccc(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000330837711 554177887 /nfs/dbraw/zinc/17/78/87/554177887.db2.gz XWQFOZHFAXQITM-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331176492 554226155 /nfs/dbraw/zinc/22/61/55/554226155.db2.gz KEUMPOSVASZSPY-APHBMKBZSA-N 0 3 355.460 2.414 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCN(C2CC2)C1 ZINC000331449499 554266273 /nfs/dbraw/zinc/26/62/73/554266273.db2.gz YVKVECFVVWRHLK-LLVKDONJSA-N 0 3 368.231 2.253 20 5 FEBDHN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000509023510 561781970 /nfs/dbraw/zinc/78/19/70/561781970.db2.gz WLKOOVNHWWHJRS-FZKQIMNGSA-N 0 3 368.428 2.331 20 5 FEBDHN COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000331906520 554344071 /nfs/dbraw/zinc/34/40/71/554344071.db2.gz KFBGKXSFOLFAFK-DAYGRLMNSA-N 0 3 350.415 2.355 20 5 FEBDHN CC(C)CN1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000360734713 554887368 /nfs/dbraw/zinc/88/73/68/554887368.db2.gz AZTFIVQEEUSLAJ-UHFFFAOYSA-N 0 3 363.443 2.403 20 5 FEBDHN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000360828288 554891536 /nfs/dbraw/zinc/89/15/36/554891536.db2.gz IUYYTJZEBXFWLX-WMLDXEAASA-N 0 3 361.446 2.085 20 5 FEBDHN Cc1nn(C)c(NCC2(N3CCN(C)CC3)CCCCCC2)c1[N+](=O)[O-] ZINC000361363973 554919015 /nfs/dbraw/zinc/91/90/15/554919015.db2.gz IXFWWHZAOFMFGX-UHFFFAOYSA-N 0 3 364.494 2.389 20 5 FEBDHN O=[N+]([O-])c1cc(CNC[C@@]2(N3CCOCC3)CCCOC2)ccc1Cl ZINC000362216864 554956138 /nfs/dbraw/zinc/95/61/38/554956138.db2.gz GVGNCIYBRLCIGO-KRWDZBQOSA-N 0 3 369.849 2.219 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362863658 554994177 /nfs/dbraw/zinc/99/41/77/554994177.db2.gz VXAACCWDEPNJBP-CWRNSKLLSA-N 0 3 362.430 2.127 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424295 555102323 /nfs/dbraw/zinc/10/23/23/555102323.db2.gz QIXYMACANZTIAS-ZTFGCOKTSA-N 0 3 361.442 2.143 20 5 FEBDHN CC(C)c1ccc(C(=O)N2CCCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000363940193 555218318 /nfs/dbraw/zinc/21/83/18/555218318.db2.gz RFMDCHRZYMYYNX-UHFFFAOYSA-N 0 3 362.474 2.428 20 5 FEBDHN CN1CCN(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000364061030 555243052 /nfs/dbraw/zinc/24/30/52/555243052.db2.gz YRUGPAWBRFIXIR-UHFFFAOYSA-N 0 3 360.458 2.085 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000364962189 555451249 /nfs/dbraw/zinc/45/12/49/555451249.db2.gz UKWYGHYVAJZMHR-AWEZNQCLSA-N 0 3 354.838 2.067 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4nc[nH]n4)C3)o2)cc1 ZINC000365903786 555697444 /nfs/dbraw/zinc/69/74/44/555697444.db2.gz QNQKFDPEWOXDSC-LBPRGKRZSA-N 0 3 355.358 2.143 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366030778 555732359 /nfs/dbraw/zinc/73/23/59/555732359.db2.gz FMFFYTSPLHLDNT-QGZVFWFLSA-N 0 3 361.446 2.227 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366565355 555877350 /nfs/dbraw/zinc/87/73/50/555877350.db2.gz UQEFCFNDZHIOTA-UKRRQHHQSA-N 0 3 365.434 2.123 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000366650228 555899060 /nfs/dbraw/zinc/89/90/60/555899060.db2.gz FBDBZEGIUPDYHB-IBGZPJMESA-N 0 3 363.458 2.063 20 5 FEBDHN O=C(Nc1cccc2c1CNCC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000367507681 556069104 /nfs/dbraw/zinc/06/91/04/556069104.db2.gz OBUHOZVZHMKOMW-UHFFFAOYSA-N 0 3 364.365 2.074 20 5 FEBDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367527396 556074440 /nfs/dbraw/zinc/07/44/40/556074440.db2.gz NWAKHOXZWGJJNG-GXTWGEPZSA-N 0 3 353.444 2.202 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000367964984 556183993 /nfs/dbraw/zinc/18/39/93/556183993.db2.gz RGWDYOLTFRNVGX-UHFFFAOYSA-N 0 3 361.427 2.300 20 5 FEBDHN C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000515134431 561997603 /nfs/dbraw/zinc/99/76/03/561997603.db2.gz QJSUKLQHLYEPKJ-CQSZACIVSA-N 0 3 362.430 2.099 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000515216823 562001320 /nfs/dbraw/zinc/00/13/20/562001320.db2.gz PMPBCRTVMBUXRQ-ZIAGYGMSSA-N 0 3 355.460 2.277 20 5 FEBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccncc2)CC1 ZINC000368928674 556450926 /nfs/dbraw/zinc/45/09/26/556450926.db2.gz ABZLXTVRTXGQJI-UHFFFAOYSA-N 0 3 370.409 2.496 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369308997 556570821 /nfs/dbraw/zinc/57/08/21/556570821.db2.gz DLAQCZJEFGBDKK-LKGOPFMKSA-N 0 3 372.469 2.094 20 5 FEBDHN CCN1CCC(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000516902013 562063543 /nfs/dbraw/zinc/06/35/43/562063543.db2.gz MLKGPCZTSUAMMN-UHFFFAOYSA-N 0 3 355.460 2.222 20 5 FEBDHN CCc1n[nH]c(C(=O)N(C)CC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000371339804 557152781 /nfs/dbraw/zinc/15/27/81/557152781.db2.gz XEZMRHPXMICUFG-UHFFFAOYSA-N 0 3 372.429 2.264 20 5 FEBDHN CCc1[nH]nc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000371339804 557152784 /nfs/dbraw/zinc/15/27/84/557152784.db2.gz XEZMRHPXMICUFG-UHFFFAOYSA-N 0 3 372.429 2.264 20 5 FEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ncccc4[O-])CC3)nc2c1 ZINC000517582482 562093026 /nfs/dbraw/zinc/09/30/26/562093026.db2.gz FUSAASYDFLKOLJ-UHFFFAOYSA-N 0 3 368.397 2.284 20 5 FEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ncccc4[O-])CC3)nc2c1 ZINC000517582482 562093027 /nfs/dbraw/zinc/09/30/27/562093027.db2.gz FUSAASYDFLKOLJ-UHFFFAOYSA-N 0 3 368.397 2.284 20 5 FEBDHN CC[C@H](C)N[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612518 562093733 /nfs/dbraw/zinc/09/37/33/562093733.db2.gz KZZHVUYCRUMSAZ-GXTWGEPZSA-N 0 3 363.418 2.328 20 5 FEBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372349091 557447504 /nfs/dbraw/zinc/44/75/04/557447504.db2.gz ZHIHXKMWPSYHIY-QGZVFWFLSA-N 0 3 370.453 2.353 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372408069 557463604 /nfs/dbraw/zinc/46/36/04/557463604.db2.gz FRSVXHKCMZBQGW-KSSFIOAISA-N 0 3 370.409 2.421 20 5 FEBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722786 557547376 /nfs/dbraw/zinc/54/73/76/557547376.db2.gz BQLKSQDQTHJLMA-WBVHZDCISA-N 0 3 370.409 2.374 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000373050397 557617337 /nfs/dbraw/zinc/61/73/37/557617337.db2.gz XYAKDZQUNNHSHT-HNNXBMFYSA-N 0 3 359.474 2.027 20 5 FEBDHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467730 557699026 /nfs/dbraw/zinc/69/90/26/557699026.db2.gz UVEXSICZWHJXIF-CABCVRRESA-N 0 3 366.466 2.114 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471132 557699839 /nfs/dbraw/zinc/69/98/39/557699839.db2.gz KJVICLYMSZBBDF-GJZGRUSLSA-N 0 3 364.450 2.012 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520312197 562153235 /nfs/dbraw/zinc/15/32/35/562153235.db2.gz PKJFYEFETDTYKA-MRXNPFEDSA-N 0 3 357.414 2.385 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000373804151 557762689 /nfs/dbraw/zinc/76/26/89/557762689.db2.gz GQXCWSOMYCJFES-FUHWJXTLSA-N 0 3 363.414 2.193 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000374505718 557892584 /nfs/dbraw/zinc/89/25/84/557892584.db2.gz OGJJSIXQPRWABF-WQVCFCJDSA-N 0 3 360.414 2.055 20 5 FEBDHN COc1cccc([C@@H]2C[C@H](C)CN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598582 557904733 /nfs/dbraw/zinc/90/47/33/557904733.db2.gz XUAAWFFYIUYUDQ-OWQGQXMQSA-N 0 3 360.414 2.244 20 5 FEBDHN O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967335 557957383 /nfs/dbraw/zinc/95/73/83/557957383.db2.gz AXXRAPNIRRJKJQ-ARFHVFGLSA-N 0 3 369.425 2.348 20 5 FEBDHN O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1n[n-]cc1[N+](=O)[O-] ZINC000374967335 557957384 /nfs/dbraw/zinc/95/73/84/557957384.db2.gz AXXRAPNIRRJKJQ-ARFHVFGLSA-N 0 3 369.425 2.348 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000375242306 557997480 /nfs/dbraw/zinc/99/74/80/557997480.db2.gz NTLRCAHOKIHLEG-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451852 558175110 /nfs/dbraw/zinc/17/51/10/558175110.db2.gz XIRZQDCBLLTREX-KDOFPFPSSA-N 0 3 369.425 2.479 20 5 FEBDHN Cn1cc(CN2CCC[C@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377389799 558331611 /nfs/dbraw/zinc/33/16/11/558331611.db2.gz IHUSTWBURATZGY-AWEZNQCLSA-N 0 3 367.413 2.493 20 5 FEBDHN CN1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377645951 558385721 /nfs/dbraw/zinc/38/57/21/558385721.db2.gz GVSMJYIXTSDERD-FUHWJXTLSA-N 0 3 372.400 2.368 20 5 FEBDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253326 558512199 /nfs/dbraw/zinc/51/21/99/558512199.db2.gz QJKBLYBBUWHAAM-KURKYZTESA-N 0 3 361.442 2.494 20 5 FEBDHN CCc1nn(C)c(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000378365279 558540019 /nfs/dbraw/zinc/54/00/19/558540019.db2.gz IZIKZZBWMOVBEU-KCQAQPDRSA-N 0 3 351.451 2.192 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603878 558592423 /nfs/dbraw/zinc/59/24/23/558592423.db2.gz FDTZJOBXGXOLBF-HOCLYGCPSA-N 0 3 371.441 2.311 20 5 FEBDHN Cc1nn(C)c(NCC2(O)CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397572528 558625064 /nfs/dbraw/zinc/62/50/64/558625064.db2.gz ZHMLXMVOAJHMRJ-UHFFFAOYSA-N 0 3 359.430 2.076 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000408371945 558671717 /nfs/dbraw/zinc/67/17/17/558671717.db2.gz GODUSSWQSKTECD-GOEBONIOSA-N 0 3 367.471 2.262 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000524976759 562238829 /nfs/dbraw/zinc/23/88/29/562238829.db2.gz GWLLUFVWWJPLNE-LJQANCHMSA-N 0 3 370.409 2.353 20 5 FEBDHN NC(=O)[C@]1(c2ccccc2)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411956131 558994721 /nfs/dbraw/zinc/99/47/21/558994721.db2.gz AWVSONFDDKPQKH-LJQANCHMSA-N 0 3 355.394 2.103 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1F ZINC000412169208 559017994 /nfs/dbraw/zinc/01/79/94/559017994.db2.gz IATVDDRDXQVMBS-WDEREUQCSA-N 0 3 351.378 2.026 20 5 FEBDHN NC(=O)C1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000413574192 559117497 /nfs/dbraw/zinc/11/74/97/559117497.db2.gz NCWUFEHLQSAYPW-UHFFFAOYSA-N 0 3 369.425 2.299 20 5 FEBDHN CC(C)Oc1cc(C(=O)Nc2ccnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000413816527 559132271 /nfs/dbraw/zinc/13/22/71/559132271.db2.gz JLBXQHBUZSEXFI-UHFFFAOYSA-N 0 3 361.402 2.392 20 5 FEBDHN COCCNC(=O)C1(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187013 559152129 /nfs/dbraw/zinc/15/21/29/559152129.db2.gz PVMCLYKGNXMLMR-GOEBONIOSA-N 0 3 361.442 2.191 20 5 FEBDHN COc1cc(CN2CCNC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414766142 559186277 /nfs/dbraw/zinc/18/62/77/559186277.db2.gz DBAQSGVBHWWLBR-HNNXBMFYSA-N 0 3 363.336 2.338 20 5 FEBDHN COC(=O)COc1ccc(CN2CCNCc3ccccc32)cc1[N+](=O)[O-] ZINC000414845129 559190565 /nfs/dbraw/zinc/19/05/65/559190565.db2.gz LQTZNNDLNPMPGY-UHFFFAOYSA-N 0 3 371.393 2.256 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000415649599 559257986 /nfs/dbraw/zinc/25/79/86/559257986.db2.gz QNJBRNGKBUEMNP-UHFFFAOYSA-N 0 3 368.393 2.070 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415657826 559258814 /nfs/dbraw/zinc/25/88/14/559258814.db2.gz MWEGUBAKNPELBX-GWCFXTLKSA-N 0 3 352.391 2.228 20 5 FEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CNCCO2 ZINC000415967540 559285704 /nfs/dbraw/zinc/28/57/04/559285704.db2.gz DCRFBZGICNLGCQ-UHFFFAOYSA-N 0 3 356.382 2.441 20 5 FEBDHN COC(=O)c1cn(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000417334409 559358037 /nfs/dbraw/zinc/35/80/37/559358037.db2.gz RIMBQAMXRDPCQV-OAHLLOKOSA-N 0 3 359.386 2.030 20 5 FEBDHN O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751679 559413883 /nfs/dbraw/zinc/41/38/83/559413883.db2.gz RPVADBYDTPRSDK-ZFWWWQNUSA-N 0 3 368.384 2.481 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000419998361 559468267 /nfs/dbraw/zinc/46/82/67/559468267.db2.gz MXTBEMYNVQUSDD-NRFANRHFSA-N 0 3 367.449 2.114 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000420462514 559488721 /nfs/dbraw/zinc/48/87/21/559488721.db2.gz MVBWNKJCAPZDOQ-INIZCTEOSA-N 0 3 363.439 2.444 20 5 FEBDHN COC1([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000421025680 559520442 /nfs/dbraw/zinc/52/04/42/559520442.db2.gz DPFILCFBLLCDOI-ZDUSSCGKSA-N 0 3 351.403 2.015 20 5 FEBDHN COC1([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCOCC1 ZINC000421039015 559521409 /nfs/dbraw/zinc/52/14/09/559521409.db2.gz VBABEUQHHVVQTK-LBPRGKRZSA-N 0 3 352.387 2.135 20 5 FEBDHN CC[C@@H](O)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000422082337 559564047 /nfs/dbraw/zinc/56/40/47/559564047.db2.gz FKYASDFQYFGNNL-SNVBAGLBSA-N 0 3 352.309 2.405 20 5 FEBDHN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H](N)c1ccccc1 ZINC000423821826 559640805 /nfs/dbraw/zinc/64/08/05/559640805.db2.gz FEEMBGWESLBWAT-CXAGYDPISA-N 0 3 357.414 2.291 20 5 FEBDHN N[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424014683 559650941 /nfs/dbraw/zinc/65/09/41/559650941.db2.gz VSNRPEVPZDIXHB-LSDHHAIUSA-N 0 3 358.373 2.099 20 5 FEBDHN CC(C)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424226855 559658702 /nfs/dbraw/zinc/65/87/02/559658702.db2.gz PECRWAOUVGAPHC-JKSUJKDBSA-N 0 3 357.414 2.019 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425005748 559683183 /nfs/dbraw/zinc/68/31/83/559683183.db2.gz LSWGFYJILBWWFA-JKSUJKDBSA-N 0 3 369.425 2.158 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000425479548 559704548 /nfs/dbraw/zinc/70/45/48/559704548.db2.gz PXIYJSWYJQFLCU-AAEUAGOBSA-N 0 3 359.220 2.234 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312179 559795595 /nfs/dbraw/zinc/79/55/95/559795595.db2.gz OHAIYUQPNHNOQU-YPMHNXCESA-N 0 3 371.393 2.393 20 5 FEBDHN O=C1[C@H](N2CCNCc3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430918243 559830340 /nfs/dbraw/zinc/83/03/40/559830340.db2.gz MEHKSQFWVXCYHB-GOSISDBHSA-N 0 3 352.394 2.310 20 5 FEBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433017084 559870080 /nfs/dbraw/zinc/87/00/80/559870080.db2.gz XDKBEDIZCDMVIC-VBNZEHGJSA-N 0 3 351.403 2.096 20 5 FEBDHN CCOCCOC[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064736 559870974 /nfs/dbraw/zinc/87/09/74/559870974.db2.gz CGWFGDQWERKLLT-PBHICJAKSA-N 0 3 352.431 2.321 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000434035967 559892804 /nfs/dbraw/zinc/89/28/04/559892804.db2.gz KCZBWWLQSNCHOP-BETUJISGSA-N 0 3 367.450 2.061 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc([N+](=O)[O-])c1 ZINC000434422379 559900087 /nfs/dbraw/zinc/90/00/87/559900087.db2.gz AMLZFGZZOCFXMZ-HNNXBMFYSA-N 0 3 361.398 2.128 20 5 FEBDHN Cc1cc(OCC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801729 559930419 /nfs/dbraw/zinc/93/04/19/559930419.db2.gz UYQNHMOIYDQBOP-QZTJIDSGSA-N 0 3 369.421 2.496 20 5 FEBDHN COc1cccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C)c1 ZINC000439127345 559988923 /nfs/dbraw/zinc/98/89/23/559988923.db2.gz AUWBLBOLQYTFFH-INIZCTEOSA-N 0 3 358.398 2.417 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@@H](OC)C1(C)C ZINC000439638185 559998504 /nfs/dbraw/zinc/99/85/04/559998504.db2.gz VCSRUHHPLIKPMQ-NZVBXONLSA-N 0 3 351.403 2.334 20 5 FEBDHN Cc1ccc(NC(=O)CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000447306796 560159809 /nfs/dbraw/zinc/15/98/09/560159809.db2.gz SGQVVNSPFKOMFI-AWEZNQCLSA-N 0 3 370.413 2.208 20 5 FEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000448962757 560209084 /nfs/dbraw/zinc/20/90/84/560209084.db2.gz QRQXMBXRYVMPRH-OAHLLOKOSA-N 0 3 355.398 2.294 20 5 FEBDHN COc1ccc(CNC(=O)CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449102774 560215803 /nfs/dbraw/zinc/21/58/03/560215803.db2.gz LNUOHJUJJKWMSW-AWEZNQCLSA-N 0 3 357.410 2.440 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449145125 560217899 /nfs/dbraw/zinc/21/78/99/560217899.db2.gz WHBMQYHRVQZLSE-OAHLLOKOSA-N 0 3 353.444 2.186 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CNCCC2(F)F)cc1SC ZINC000449658398 560235896 /nfs/dbraw/zinc/23/58/96/560235896.db2.gz AULLELVFVDZNGE-GFCCVEGCSA-N 0 3 361.370 2.052 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000449883080 560244048 /nfs/dbraw/zinc/24/40/48/560244048.db2.gz YGDCQQGYQFWYCL-LLVKDONJSA-N 0 3 361.320 2.016 20 5 FEBDHN CC[C@H](C)N1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450859556 560275990 /nfs/dbraw/zinc/27/59/90/560275990.db2.gz MZXTYVPALZVGNN-INIZCTEOSA-N 0 3 362.474 2.348 20 5 FEBDHN O=C1[C@H](N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419601 560305757 /nfs/dbraw/zinc/30/57/57/560305757.db2.gz LSICWUSEHOBQGH-TVFCKZIOSA-N 0 3 359.426 2.326 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501279 560310734 /nfs/dbraw/zinc/31/07/34/560310734.db2.gz OSBPHOQGNAMEBY-VQISRLSMSA-N 0 3 351.403 2.334 20 5 FEBDHN O=C1[C@H](N[C@@H]([C@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606515 560317187 /nfs/dbraw/zinc/31/71/87/560317187.db2.gz LSCFIZFZICQXPT-KZNAEPCWSA-N 0 3 359.426 2.087 20 5 FEBDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734534 560325647 /nfs/dbraw/zinc/32/56/47/560325647.db2.gz WYRNEDBGKWEBKU-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451773580 560327886 /nfs/dbraw/zinc/32/78/86/560327886.db2.gz CTHCTCBKWYPVOO-OWCLPIDISA-N 0 3 361.398 2.022 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452055071 560348602 /nfs/dbraw/zinc/34/86/02/560348602.db2.gz BIWAWMYKFKBEPU-INIZCTEOSA-N 0 3 363.439 2.312 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452093021 560350689 /nfs/dbraw/zinc/35/06/89/560350689.db2.gz FXSBQKVTVIKQGO-UHFFFAOYSA-N 0 3 350.419 2.006 20 5 FEBDHN CC1(C)CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2COC[C@@H]21 ZINC000452123429 560352679 /nfs/dbraw/zinc/35/26/79/560352679.db2.gz WGODLIJPFUBNMC-DZGCQCFKSA-N 0 3 361.398 2.250 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000454927159 560463733 /nfs/dbraw/zinc/46/37/33/560463733.db2.gz MYWOXEWHSGCMDL-AWEZNQCLSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456035078 560505167 /nfs/dbraw/zinc/50/51/67/560505167.db2.gz ANUWACJATBEMBO-BBRMVZONSA-N 0 3 369.425 2.282 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000456161130 560509174 /nfs/dbraw/zinc/50/91/74/560509174.db2.gz HXIZMTIYAXZERC-RISCZKNCSA-N 0 3 353.806 2.180 20 5 FEBDHN O=C1[C@H](N2CC3(CCC3)[C@@H]3COC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656453 560700389 /nfs/dbraw/zinc/70/03/89/560700389.db2.gz DXGJWKZQNVZBEO-ZACQAIPSSA-N 0 3 357.410 2.201 20 5 FEBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CCOCC2)c(Cl)c1 ZINC000459664918 560701181 /nfs/dbraw/zinc/70/11/81/560701181.db2.gz CGABEFRINWTFIW-UHFFFAOYSA-N 0 3 369.849 2.219 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781743 560708027 /nfs/dbraw/zinc/70/80/27/560708027.db2.gz MHXAQINMLACWMM-HZPDHXFCSA-N 0 3 364.398 2.194 20 5 FEBDHN C[C@@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000463737090 560822620 /nfs/dbraw/zinc/82/26/20/560822620.db2.gz DCCWXISGFMXXGG-HZSPNIEDSA-N 0 3 355.460 2.287 20 5 FEBDHN CCN1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000465994035 560877613 /nfs/dbraw/zinc/87/76/13/560877613.db2.gz YTEKBIIIBAONDB-OAHLLOKOSA-N 0 3 363.462 2.489 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@H](O)CO)cc1 ZINC000470363907 560979470 /nfs/dbraw/zinc/97/94/70/560979470.db2.gz JQWDVFOTSNTTKJ-ZDUSSCGKSA-N 0 3 352.774 2.483 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616746 560985836 /nfs/dbraw/zinc/98/58/36/560985836.db2.gz DYXGSTZQQZLVDD-UPJWGTAASA-N 0 3 373.450 2.379 20 5 FEBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000473534200 561052175 /nfs/dbraw/zinc/05/21/75/561052175.db2.gz VBKMGYOINPWRJI-UHFFFAOYSA-N 0 3 360.336 2.458 20 5 FEBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000473995457 561063252 /nfs/dbraw/zinc/06/32/52/561063252.db2.gz LIJWBYPOUZLUKA-ZFWWWQNUSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2ccccc2O)cc1[N+](=O)[O-] ZINC000474355204 561072049 /nfs/dbraw/zinc/07/20/49/561072049.db2.gz QZESBIYODTZYIV-UHFFFAOYSA-N 0 3 360.366 2.185 20 5 FEBDHN CCOC[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926813 561085582 /nfs/dbraw/zinc/08/55/82/561085582.db2.gz BXUDEVMOGZBBFJ-CJNGLKHVSA-N 0 3 356.444 2.163 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000476657810 561125448 /nfs/dbraw/zinc/12/54/48/561125448.db2.gz MHQMJEBSPNXNCD-DZGCQCFKSA-N 0 3 357.414 2.111 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000533022575 562495992 /nfs/dbraw/zinc/49/59/92/562495992.db2.gz WFGIGJSDRSDHHX-UHFFFAOYSA-N 0 3 365.430 2.094 20 5 FEBDHN COc1ccc(CC(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901244 562596150 /nfs/dbraw/zinc/59/61/50/562596150.db2.gz XJZYKCOOWPONSJ-IRXDYDNUSA-N 0 3 369.421 2.360 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603143584 568067303 /nfs/dbraw/zinc/06/73/03/568067303.db2.gz HHHKGKGDOXTMMS-DZGCQCFKSA-N 0 3 372.347 2.224 20 5 FEBDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604033958 568201854 /nfs/dbraw/zinc/20/18/54/568201854.db2.gz MIVLCPWEVPDZPF-GJZGRUSLSA-N 0 3 369.487 2.382 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422988 568401760 /nfs/dbraw/zinc/40/17/60/568401760.db2.gz JYSZQZKVAFLMPP-MRXNPFEDSA-N 0 3 372.473 2.071 20 5 FEBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCCC1 ZINC000821581222 599283682 /nfs/dbraw/zinc/28/36/82/599283682.db2.gz GNRHOFNYSOPBGQ-UHFFFAOYSA-N 0 3 360.422 2.236 20 5 FEBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCCC1 ZINC000821581222 599283684 /nfs/dbraw/zinc/28/36/84/599283684.db2.gz GNRHOFNYSOPBGQ-UHFFFAOYSA-N 0 3 360.422 2.236 20 5 FEBDHN CC(C)[N@@H+]1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126978 599496889 /nfs/dbraw/zinc/49/68/89/599496889.db2.gz GJLPUCNECZDIJU-NSHDSACASA-N 0 3 368.401 2.218 20 5 FEBDHN CC(C)[N@H+]1CC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126978 599496891 /nfs/dbraw/zinc/49/68/91/599496891.db2.gz GJLPUCNECZDIJU-NSHDSACASA-N 0 3 368.401 2.218 20 5 FEBDHN CC(C)[N@@H+]1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126978 599496893 /nfs/dbraw/zinc/49/68/93/599496893.db2.gz GJLPUCNECZDIJU-NSHDSACASA-N 0 3 368.401 2.218 20 5 FEBDHN CC(C)[N@H+]1CC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126978 599496895 /nfs/dbraw/zinc/49/68/95/599496895.db2.gz GJLPUCNECZDIJU-NSHDSACASA-N 0 3 368.401 2.218 20 5 FEBDHN CC[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000689 606226376 /nfs/dbraw/zinc/22/63/76/606226376.db2.gz HXBDWLBUNZGEHF-ZIAGYGMSSA-N 0 3 357.418 2.228 20 5 FEBDHN C[NH+](C)CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821586292 607113269 /nfs/dbraw/zinc/11/32/69/607113269.db2.gz RLIICHYFFVEPGF-UHFFFAOYSA-N 0 3 367.413 2.343 20 5 FEBDHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102644 674719558 /nfs/dbraw/zinc/71/95/58/674719558.db2.gz HWVFTOXANQWTMP-FZMZJTMJSA-N 0 3 355.366 2.002 20 5 FEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[N+](=O)[O-] ZINC000813106015 674719802 /nfs/dbraw/zinc/71/98/02/674719802.db2.gz XNMIAISCTPCRKB-UWVGGRQHSA-N 0 3 371.187 2.010 20 5 FEBDHN CC(COC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[N+](=O)[O-] ZINC000813106795 674720365 /nfs/dbraw/zinc/72/03/65/674720365.db2.gz HYLDGGMBNNPDSD-VIFPVBQESA-N 0 3 360.819 2.462 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[N+](=O)[O-] ZINC000813106985 674720489 /nfs/dbraw/zinc/72/04/89/674720489.db2.gz JPKKRVVIHWSFLV-CYBMUJFWSA-N 0 3 370.427 2.073 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000054779596 670341284 /nfs/dbraw/zinc/34/12/84/670341284.db2.gz SRZOUJMHNFBRJQ-UHFFFAOYSA-N 0 3 350.375 2.273 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000111635899 670859914 /nfs/dbraw/zinc/85/99/14/670859914.db2.gz QJNBRHAECCBKOE-CYBMUJFWSA-N 0 3 350.375 2.416 20 5 FEBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000584168032 672162081 /nfs/dbraw/zinc/16/20/81/672162081.db2.gz PQBFDUJVCHRYCZ-UHFFFAOYSA-N 0 3 363.439 2.331 20 5 FEBDHN COC1CCN(CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000610661373 675987632 /nfs/dbraw/zinc/98/76/32/675987632.db2.gz HJDWYYAUFLLFBY-UHFFFAOYSA-N 0 3 350.419 2.444 20 5 FEBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205227 676024811 /nfs/dbraw/zinc/02/48/11/676024811.db2.gz OPSSESXCCBBKRK-STQMWFEESA-N 0 3 351.403 2.289 20 5 FEBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205225 676025015 /nfs/dbraw/zinc/02/50/15/676025015.db2.gz OPSSESXCCBBKRK-OLZOCXBDSA-N 0 3 351.403 2.289 20 5 FEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590751983 672610545 /nfs/dbraw/zinc/61/05/45/672610545.db2.gz DFVKMFDLCQAGOC-MNOVXSKESA-N 0 3 355.778 2.118 20 5 FEBDHN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381050 672794889 /nfs/dbraw/zinc/79/48/89/672794889.db2.gz ZJHAEEQBNSPEQC-UWVGGRQHSA-N 0 3 367.349 2.162 20 5 FEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)c(Br)c1 ZINC000250757012 672876325 /nfs/dbraw/zinc/87/63/25/672876325.db2.gz GIZMVFQZTPADJA-ONGXEEELSA-N 0 3 357.208 2.027 20 5 FEBDHN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044368 673024860 /nfs/dbraw/zinc/02/48/60/673024860.db2.gz QTCIVGUGVWNPTM-CJNGLKHVSA-N 0 3 351.403 2.479 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959820 673181183 /nfs/dbraw/zinc/18/11/83/673181183.db2.gz GVASJHXAWWLPCP-RSPPDBIESA-N 0 3 356.444 2.391 20 5 FEBDHN CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596305905 673375905 /nfs/dbraw/zinc/37/59/05/673375905.db2.gz CQCVNCTVYFPZND-GFCCVEGCSA-N 0 3 370.475 2.130 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610441 673590186 /nfs/dbraw/zinc/59/01/86/673590186.db2.gz BVQSOPWFICELMZ-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN CCN1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000543208300 673632725 /nfs/dbraw/zinc/63/27/25/673632725.db2.gz SJBJYCRBKXHCEI-GOEBONIOSA-N 0 3 369.487 2.173 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCCF)CC1 ZINC000599671307 673704565 /nfs/dbraw/zinc/70/45/65/673704565.db2.gz RLOLTCATSPEAMF-UHFFFAOYSA-N 0 3 352.410 2.209 20 5 FEBDHN C[N@H+](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000744246455 673788801 /nfs/dbraw/zinc/78/88/01/673788801.db2.gz OBLAQQFVTYQLCS-UHFFFAOYSA-N 0 3 359.423 2.277 20 5 FEBDHN C[N@@H+](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000744246455 673788806 /nfs/dbraw/zinc/78/88/06/673788806.db2.gz OBLAQQFVTYQLCS-UHFFFAOYSA-N 0 3 359.423 2.277 20 5 FEBDHN O=[N+]([O-])c1sc(CNCC[C@]2(O)CCCOC2)cc1Br ZINC000602707114 673910308 /nfs/dbraw/zinc/91/03/08/673910308.db2.gz SWGVTFPERFLFDI-GFCCVEGCSA-N 0 3 365.249 2.440 20 5 FEBDHN C[C@H](NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967593 675247498 /nfs/dbraw/zinc/24/74/98/675247498.db2.gz WODVGMWXKNADBR-SWLSCSKDSA-N 0 3 353.419 2.473 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C\CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224358 675271279 /nfs/dbraw/zinc/27/12/79/675271279.db2.gz CJXHBWVGAWEEJH-XVWMLYKFSA-N 0 3 351.403 2.299 20 5 FEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000823133260 675531405 /nfs/dbraw/zinc/53/14/05/675531405.db2.gz LKKYYCONUAQVLG-SNVBAGLBSA-N 0 3 371.235 2.106 20 5 FEBDHN C[C@@](O)(CO)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000619464267 676378060 /nfs/dbraw/zinc/37/80/60/676378060.db2.gz JRBXWWNPZNQZAG-KRWDZBQOSA-N 0 3 350.346 2.359 20 5 FEBDHN CC(COC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[N+](=O)[O-] ZINC000838965161 680729526 /nfs/dbraw/zinc/72/95/26/680729526.db2.gz OCCWJSZPFKIDJV-MRVPVSSYSA-N 0 3 359.169 2.455 20 5 FEBDHN NCc1cn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100397 680863345 /nfs/dbraw/zinc/86/33/45/680863345.db2.gz XNXUVXJGQCRZJH-CYBMUJFWSA-N 0 3 350.810 2.136 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC2(CCO)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000831785883 680042918 /nfs/dbraw/zinc/04/29/18/680042918.db2.gz RWLLMUUDTSPWNG-UHFFFAOYSA-N 0 3 355.822 2.133 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCCN(CCCO)C1 ZINC000836368729 680458784 /nfs/dbraw/zinc/45/87/84/680458784.db2.gz TVUJJCFQUJPHJK-LBPRGKRZSA-N 0 3 356.810 2.217 20 5 FEBDHN O=C(NCC1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400409 680460452 /nfs/dbraw/zinc/46/04/52/680460452.db2.gz REKLHLMTXSUYMR-MLGOLLRUSA-N 0 3 369.824 2.473 20 5 FEBDHN CN(C)CCN(Cc1ccsc1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838185083 680678164 /nfs/dbraw/zinc/67/81/64/680678164.db2.gz DKQLRSYLHBIPCF-INIZCTEOSA-N 0 3 363.439 2.280 20 5 FEBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[N+](=O)[O-] ZINC000842363790 680941162 /nfs/dbraw/zinc/94/11/62/680941162.db2.gz PAGSZKBPOIVSAG-SECBINFHSA-N 0 3 351.309 2.461 20 5 FEBDHN CN1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770016992 681003040 /nfs/dbraw/zinc/00/30/40/681003040.db2.gz SJOJFBYKASIJTD-UHFFFAOYSA-N 0 3 369.853 2.397 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771140347 681043673 /nfs/dbraw/zinc/04/36/73/681043673.db2.gz LGGKVTIDDVEKQN-LBPRGKRZSA-N 0 3 369.853 2.396 20 5 FEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484430 681395873 /nfs/dbraw/zinc/39/58/73/681395873.db2.gz HVLZMFQWVAZLIF-WDBKCZKBSA-N 0 3 371.821 2.359 20 5 FEBDHN CN1CCN(C)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000933992986 681494645 /nfs/dbraw/zinc/49/46/45/681494645.db2.gz SVAMOHSVJINFPD-UHFFFAOYSA-N 0 3 371.279 2.037 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCOC23CCCC3)cc1 ZINC000934384039 681562008 /nfs/dbraw/zinc/56/20/08/681562008.db2.gz BGDPFEUYKCKBSL-OAHLLOKOSA-N 0 3 354.428 2.060 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC1 ZINC000783313740 682134434 /nfs/dbraw/zinc/13/44/34/682134434.db2.gz XWNXDSHWPWSCRQ-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN CN1CCN(CC2CN(c3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000858611815 682985078 /nfs/dbraw/zinc/98/50/78/682985078.db2.gz SIHMYBWVQKBUBN-UHFFFAOYSA-N 0 3 369.263 2.041 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455805 683455544 /nfs/dbraw/zinc/45/55/44/683455544.db2.gz UKMFVGGJMKPOCH-WCBMZHEXSA-N 0 3 359.329 2.027 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1F ZINC000866793915 684154185 /nfs/dbraw/zinc/15/41/85/684154185.db2.gz LKZZDJXDHQRPMF-LBPRGKRZSA-N 0 3 359.423 2.005 20 5 FEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308471 684243647 /nfs/dbraw/zinc/24/36/47/684243647.db2.gz KBLLXHDEZMYQSZ-KCJUWKMLSA-N 0 3 365.814 2.100 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1Cl ZINC000869776534 684654228 /nfs/dbraw/zinc/65/42/28/684654228.db2.gz LYBLUEJMDAFEFD-NSHDSACASA-N 0 3 355.822 2.132 20 5 FEBDHN C[C@@H](NCC1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030466 684916302 /nfs/dbraw/zinc/91/63/02/684916302.db2.gz FWRAULMKAZRMJC-LLVKDONJSA-N 0 3 359.423 2.056 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@]23CCCO3)cc1 ZINC000880507413 687055423 /nfs/dbraw/zinc/05/54/23/687055423.db2.gz VYSPJYSYUFUFLO-CVEARBPZSA-N 0 3 354.428 2.060 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000882767241 687478701 /nfs/dbraw/zinc/47/87/01/687478701.db2.gz GYZHFABAALNUFB-UHFFFAOYSA-N 0 3 359.473 2.214 20 5 FEBDHN COc1cc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000883002921 687544460 /nfs/dbraw/zinc/54/44/60/687544460.db2.gz SMROFOLDLUUULX-NSHDSACASA-N 0 3 364.320 2.405 20 5 FEBDHN COC(=O)[C@]1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895705789 689757038 /nfs/dbraw/zinc/75/70/38/689757038.db2.gz BPNXAQCUTGWLGW-KRWDZBQOSA-N 0 3 362.407 2.433 20 5 FEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000902980864 690826702 /nfs/dbraw/zinc/82/67/02/690826702.db2.gz VNMQYEHJUWBEFT-CYBMUJFWSA-N 0 3 352.366 2.109 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000906458558 691271751 /nfs/dbraw/zinc/27/17/51/691271751.db2.gz GQYUSJLTQICUNX-HUUCEWRRSA-N 0 3 367.833 2.160 20 5 FEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@@H](C)C1 ZINC000910281874 691910701 /nfs/dbraw/zinc/91/07/01/691910701.db2.gz FHLZRCMIXOFBRI-ZDUSSCGKSA-N 0 3 367.471 2.236 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(C2CC2)CC1 ZINC000022555910 539696642 /nfs/dbraw/zinc/69/66/42/539696642.db2.gz ROSYQTMDXOLIST-UHFFFAOYSA-N 0 3 353.806 2.370 20 5 FEBDHN CCN1CCN(Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000041621005 540027845 /nfs/dbraw/zinc/02/78/45/540027845.db2.gz XDKFISGQYVVMFE-UHFFFAOYSA-N 0 3 358.446 2.078 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000042509483 540064999 /nfs/dbraw/zinc/06/49/99/540064999.db2.gz LLTLUAZWSJQPAN-JTQLQIEISA-N 0 3 373.356 2.419 20 5 FEBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000046388280 540255045 /nfs/dbraw/zinc/25/50/45/540255045.db2.gz SQVMEFPRBPMWNU-SFHVURJKSA-N 0 3 371.441 2.032 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052954618 540502058 /nfs/dbraw/zinc/50/20/58/540502058.db2.gz CJRTUHNKCSVJLG-HNNXBMFYSA-N 0 3 357.414 2.209 20 5 FEBDHN CC1CCN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000054779561 540609200 /nfs/dbraw/zinc/60/92/00/540609200.db2.gz ZIJUNVBLVMLNFU-UHFFFAOYSA-N 0 3 357.414 2.242 20 5 FEBDHN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000056066298 540698903 /nfs/dbraw/zinc/69/89/03/540698903.db2.gz VJNBEAAODLLHAP-UHFFFAOYSA-N 0 3 355.460 2.385 20 5 FEBDHN Cc1cccc(CN2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000065781171 541260623 /nfs/dbraw/zinc/26/06/23/541260623.db2.gz JRWRHXOPEWBZPQ-UHFFFAOYSA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1ccccc1CN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000065780124 541260884 /nfs/dbraw/zinc/26/08/84/541260884.db2.gz VERRYPRMORRJRX-UHFFFAOYSA-N 0 3 371.441 2.224 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(C(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068367475 541582827 /nfs/dbraw/zinc/58/28/27/541582827.db2.gz CQLZDBINJKGZHA-UHFFFAOYSA-N 0 3 362.430 2.032 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068861432 541634821 /nfs/dbraw/zinc/63/48/21/541634821.db2.gz KALDQPUGGRSXPR-KBPBESRZSA-N 0 3 365.430 2.219 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000069902309 541722943 /nfs/dbraw/zinc/72/29/43/541722943.db2.gz AXAWKSLVIVDDPQ-UHFFFAOYSA-N 0 3 361.851 2.321 20 5 FEBDHN O=C(c1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000073350503 541946071 /nfs/dbraw/zinc/94/60/71/541946071.db2.gz DQGVETCQVRWISM-UHFFFAOYSA-N 0 3 374.441 2.106 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[NH+]1CCCCC1 ZINC000078926440 542488308 /nfs/dbraw/zinc/48/83/08/542488308.db2.gz XYYQKDAYRQGPBH-UHFFFAOYSA-N 0 3 361.851 2.403 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000247419287 549331769 /nfs/dbraw/zinc/33/17/69/549331769.db2.gz NUTRKTIXJRMTJV-LRDDRELGSA-N 0 3 363.443 2.052 20 5 FEBDHN CN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000087315653 542744931 /nfs/dbraw/zinc/74/49/31/542744931.db2.gz CCHSZMLAYRXPMU-LLVKDONJSA-N 0 3 356.220 2.110 20 5 FEBDHN COc1ccc(NC(=O)CCN(C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600728 542754488 /nfs/dbraw/zinc/75/44/88/542754488.db2.gz VDJNBLUWNGUGGX-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn(CCN2CCCCC2)c1 ZINC000089433215 542762824 /nfs/dbraw/zinc/76/28/24/542762824.db2.gz ZPRBAHYLSLJDAL-UHFFFAOYSA-N 0 3 372.429 2.328 20 5 FEBDHN Nc1c(C(=O)Nc2cnn(CCN3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000089432909 542763160 /nfs/dbraw/zinc/76/31/60/542763160.db2.gz DFROKUCHLCHRKJ-UHFFFAOYSA-N 0 3 358.402 2.112 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)c(OC)c1 ZINC000090511628 542785593 /nfs/dbraw/zinc/78/55/93/542785593.db2.gz UYBYYOFWDXFCGT-UHFFFAOYSA-N 0 3 361.398 2.296 20 5 FEBDHN Cn1cc(CN2CCC[C@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093808449 542941745 /nfs/dbraw/zinc/94/17/45/542941745.db2.gz ITRVUINKZOTQKS-CYBMUJFWSA-N 0 3 357.414 2.083 20 5 FEBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cnn(C)c1 ZINC000103474452 543109472 /nfs/dbraw/zinc/10/94/72/543109472.db2.gz KLRHLFYMPZELCP-UHFFFAOYSA-N 0 3 361.402 2.188 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000104529401 543133917 /nfs/dbraw/zinc/13/39/17/543133917.db2.gz VBKYOURVNZSWKA-UHFFFAOYSA-N 0 3 359.430 2.440 20 5 FEBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110428446 543357299 /nfs/dbraw/zinc/35/72/99/543357299.db2.gz YHNUUSRIHRIVTF-SFHVURJKSA-N 0 3 367.409 2.346 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000119850098 543672525 /nfs/dbraw/zinc/67/25/25/543672525.db2.gz BAOIONSWHWWFTK-INIZCTEOSA-N 0 3 362.430 2.015 20 5 FEBDHN Cc1sc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000124744541 543840516 /nfs/dbraw/zinc/84/05/16/543840516.db2.gz CASLOPHNDFBEQM-LBPRGKRZSA-N 0 3 361.489 2.460 20 5 FEBDHN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024317 543856374 /nfs/dbraw/zinc/85/63/74/543856374.db2.gz JOCKNMWYSHTQFQ-DTWKUNHWSA-N 0 3 367.349 2.162 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000129077099 544089617 /nfs/dbraw/zinc/08/96/17/544089617.db2.gz RRAJWBLCTLMCBJ-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN COc1cc(CNC[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131400742 544188674 /nfs/dbraw/zinc/18/86/74/544188674.db2.gz RERBFJHNCDTSBI-VIFPVBQESA-N 0 3 352.309 2.263 20 5 FEBDHN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452704 544347405 /nfs/dbraw/zinc/34/74/05/544347405.db2.gz GOCCZKMUQRWVGK-CVEARBPZSA-N 0 3 358.398 2.070 20 5 FEBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000135565244 544353397 /nfs/dbraw/zinc/35/33/97/544353397.db2.gz FPNARGLNIMPHRW-YOEHRIQHSA-N 0 3 360.414 2.077 20 5 FEBDHN CCN1CCC(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153240676 544750515 /nfs/dbraw/zinc/75/05/15/544750515.db2.gz JHOCODQYLIOCBP-UHFFFAOYSA-N 0 3 360.458 2.160 20 5 FEBDHN CC1(C)NC(=O)N(CCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000153246559 544751629 /nfs/dbraw/zinc/75/16/29/544751629.db2.gz VVXDAOBDSAKVJX-UHFFFAOYSA-N 0 3 360.414 2.280 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000153308099 544759752 /nfs/dbraw/zinc/75/97/52/544759752.db2.gz RUFZKPNMLSAGPI-UHFFFAOYSA-N 0 3 358.398 2.208 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc([N+](=O)[O-])c1F ZINC000154319441 544890393 /nfs/dbraw/zinc/89/03/93/544890393.db2.gz RUSJSGHWRONSGN-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN C[C@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980270 327619515 /nfs/dbraw/zinc/61/95/15/327619515.db2.gz FGVTXJQSQCRVFV-HZMBPMFUSA-N 0 3 361.851 2.434 20 5 FEBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180828341 327703694 /nfs/dbraw/zinc/70/36/94/327703694.db2.gz UECGLXKBCXDETC-HNNXBMFYSA-N 0 3 371.393 2.226 20 5 FEBDHN CC(C)(CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183480846 327820364 /nfs/dbraw/zinc/82/03/64/327820364.db2.gz KYVOVVOIEJHUFJ-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184987116 327893468 /nfs/dbraw/zinc/89/34/68/327893468.db2.gz JQLAIAJCBWZMLT-LBPRGKRZSA-N 0 3 359.423 2.147 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000188262274 328076648 /nfs/dbraw/zinc/07/66/48/328076648.db2.gz NBRQYOJOGBSFJT-UHFFFAOYSA-N 0 3 371.459 2.100 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000188265998 328076859 /nfs/dbraw/zinc/07/68/59/328076859.db2.gz WLMIPIHXGGJPOK-UHFFFAOYSA-N 0 3 355.460 2.232 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000188266546 328076895 /nfs/dbraw/zinc/07/68/95/328076895.db2.gz ZGOMSTJLHWKNOJ-UHFFFAOYSA-N 0 3 369.487 2.275 20 5 FEBDHN COc1ccc(CNCCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000189056178 328126095 /nfs/dbraw/zinc/12/60/95/328126095.db2.gz QVDFEEXCONVWGD-UHFFFAOYSA-N 0 3 355.394 2.392 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189190691 328134172 /nfs/dbraw/zinc/13/41/72/328134172.db2.gz MZGVFOWIHGLWOP-AEFFLSMTSA-N 0 3 350.415 2.226 20 5 FEBDHN CC[C@](C)(O)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000189717644 328163995 /nfs/dbraw/zinc/16/39/95/328163995.db2.gz KUZYVNCNVQLLRH-IBGZPJMESA-N 0 3 359.426 2.420 20 5 FEBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191793732 328282272 /nfs/dbraw/zinc/28/22/72/328282272.db2.gz XJPVCBQBWBJAOX-OCCSQVGLSA-N 0 3 363.414 2.363 20 5 FEBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000192221189 328307535 /nfs/dbraw/zinc/30/75/35/328307535.db2.gz LAXDACLCWWFLKQ-HNNXBMFYSA-N 0 3 359.382 2.209 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)CC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000078455423 325046446 /nfs/dbraw/zinc/04/64/46/325046446.db2.gz GHNYAMCGBPICET-ZDUSSCGKSA-N 0 3 350.419 2.477 20 5 FEBDHN COc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000083027193 325210286 /nfs/dbraw/zinc/21/02/86/325210286.db2.gz LGDSVSVYXZWSQT-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1 ZINC000089905658 325341362 /nfs/dbraw/zinc/34/13/62/325341362.db2.gz VCQOBTDHGCNRPO-HNNXBMFYSA-N 0 3 372.425 2.404 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000090551951 325362793 /nfs/dbraw/zinc/36/27/93/325362793.db2.gz MZCNJYPBOIQTSW-DZGCQCFKSA-N 0 3 363.439 2.406 20 5 FEBDHN Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000101571205 325472486 /nfs/dbraw/zinc/47/24/86/325472486.db2.gz GZKMOEQQMBZPRL-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC/C=C/c2ccccc2)cc1 ZINC000102425315 325493139 /nfs/dbraw/zinc/49/31/39/325493139.db2.gz QQGCTHZSWXTRQD-QPJJXVBHSA-N 0 3 361.423 2.176 20 5 FEBDHN CN(C)CCNC(=O)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119412611 326158930 /nfs/dbraw/zinc/15/89/30/326158930.db2.gz VSNAGQMFOKNBEO-UHFFFAOYSA-N 0 3 368.865 2.138 20 5 FEBDHN CCC(CC)(CNCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(=O)OC ZINC000120899744 326297525 /nfs/dbraw/zinc/29/75/25/326297525.db2.gz GYAANASLKRSZPF-UHFFFAOYSA-N 0 3 351.403 2.411 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000122367632 326394128 /nfs/dbraw/zinc/39/41/28/326394128.db2.gz KHYTWMHOSQBGKA-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124461156 326454284 /nfs/dbraw/zinc/45/42/84/326454284.db2.gz FIJKOTKVCNRQAK-GFCCVEGCSA-N 0 3 359.473 2.071 20 5 FEBDHN CN(C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1cccs1 ZINC000127507093 326507801 /nfs/dbraw/zinc/50/78/01/326507801.db2.gz TUKIMXVTOWTVEP-LBPRGKRZSA-N 0 3 370.456 2.019 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000162723768 327032974 /nfs/dbraw/zinc/03/29/74/327032974.db2.gz JOESIMHDLACJPM-DZGCQCFKSA-N 0 3 357.414 2.443 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000171368689 327135190 /nfs/dbraw/zinc/13/51/90/327135190.db2.gz FHEVBDGWWRBUGF-OAHLLOKOSA-N 0 3 357.414 2.447 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000171440928 327139747 /nfs/dbraw/zinc/13/97/47/327139747.db2.gz KUWHZPQPBJQZQR-QGZVFWFLSA-N 0 3 355.398 2.091 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000173842138 327288258 /nfs/dbraw/zinc/28/82/58/327288258.db2.gz RYDZKGCZXKGRLQ-UONOGXRCSA-N 0 3 353.444 2.231 20 5 FEBDHN CCc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000174214108 327313596 /nfs/dbraw/zinc/31/35/96/327313596.db2.gz VXZWAURQLIOCSS-UHFFFAOYSA-N 0 3 374.485 2.257 20 5 FEBDHN CCc1ccc(C(=O)NCCCCN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174229702 327314381 /nfs/dbraw/zinc/31/43/81/327314381.db2.gz CBPYKRMYKKLUOF-UHFFFAOYSA-N 0 3 362.474 2.305 20 5 FEBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175281393 327384342 /nfs/dbraw/zinc/38/43/42/327384342.db2.gz MZZFGEMKEWTIPU-KRWDZBQOSA-N 0 3 371.441 2.162 20 5 FEBDHN COc1cc(OCC(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264610917 329040453 /nfs/dbraw/zinc/04/04/53/329040453.db2.gz PPQNBEJHEANSFW-CQSZACIVSA-N 0 3 363.414 2.069 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265965360 329177274 /nfs/dbraw/zinc/17/72/74/329177274.db2.gz RZCIJYHMBBHQEZ-CYBMUJFWSA-N 0 3 365.430 2.462 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cc3ccccc3F)CC2)c1 ZINC000266563031 329236533 /nfs/dbraw/zinc/23/65/33/329236533.db2.gz YFNVGYQCORIVIH-KRWDZBQOSA-N 0 3 362.405 2.246 20 5 FEBDHN C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183585 329300205 /nfs/dbraw/zinc/30/02/05/329300205.db2.gz NGSQBHMYAGXUAP-LRDDRELGSA-N 0 3 352.460 2.392 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160128 329391974 /nfs/dbraw/zinc/39/19/74/329391974.db2.gz VKCRFPAIPCAGRV-AAEUAGOBSA-N 0 3 351.403 2.071 20 5 FEBDHN COC(=O)C1CCN(CCCNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000271089583 329661076 /nfs/dbraw/zinc/66/10/76/329661076.db2.gz KMARYOFWQDJUEU-UHFFFAOYSA-N 0 3 369.393 2.430 20 5 FEBDHN COc1ccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000273630375 329880187 /nfs/dbraw/zinc/88/01/87/329880187.db2.gz QEXUPSCNYRHBHY-TZMCWYRMSA-N 0 3 354.432 2.113 20 5 FEBDHN CC1(C)C[C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)O1 ZINC000275517579 330058386 /nfs/dbraw/zinc/05/83/86/330058386.db2.gz YPDPYLPKDBGGQX-AWEZNQCLSA-N 0 3 365.386 2.198 20 5 FEBDHN C[NH+](C)CCc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000276144787 330123721 /nfs/dbraw/zinc/12/37/21/330123721.db2.gz OXWXOOPLOVQPLM-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061803 330212451 /nfs/dbraw/zinc/21/24/51/330212451.db2.gz YMBRSQDCEZAVAV-ROUUACIJSA-N 0 3 374.441 2.132 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000157174565 545708438 /nfs/dbraw/zinc/70/84/38/545708438.db2.gz YZAIBVLZUWKHJF-KDOFPFPSSA-N 0 3 369.425 2.337 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000157174398 545708510 /nfs/dbraw/zinc/70/85/10/545708510.db2.gz YZAIBVLZUWKHJF-RDTXWAMCSA-N 0 3 369.425 2.337 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000157297946 545724163 /nfs/dbraw/zinc/72/41/63/545724163.db2.gz CCJCQAYOHMZRNZ-UHFFFAOYSA-N 0 3 372.425 2.303 20 5 FEBDHN COc1ccc([C@H]2[C@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCCN2C)cc1 ZINC000159797802 545981218 /nfs/dbraw/zinc/98/12/18/545981218.db2.gz AGFQXKIVIJOOPJ-GUYCJALGSA-N 0 3 373.413 2.139 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160242027 546021051 /nfs/dbraw/zinc/02/10/51/546021051.db2.gz LDXXHOBATSCCNY-WBMJQRKESA-N 0 3 355.398 2.021 20 5 FEBDHN CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399905 561189066 /nfs/dbraw/zinc/18/90/66/561189066.db2.gz YCOPKDAZTDJVMX-LSDHHAIUSA-N 0 3 367.471 2.455 20 5 FEBDHN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174657613 546301659 /nfs/dbraw/zinc/30/16/59/546301659.db2.gz ZCZIUGPFQUGVAZ-AWEZNQCLSA-N 0 3 358.320 2.303 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCOC(C)C)CC2)c1 ZINC000176674463 546475940 /nfs/dbraw/zinc/47/59/40/546475940.db2.gz IBBLOCZIMGVCJH-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN CC(C)N(CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178934602 546877195 /nfs/dbraw/zinc/87/71/95/546877195.db2.gz RVHSXNDXCPCLPG-UHFFFAOYSA-N 0 3 357.476 2.176 20 5 FEBDHN COCCO[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000179350576 546936643 /nfs/dbraw/zinc/93/66/43/546936643.db2.gz BFMAKGWCGVQWCF-INIZCTEOSA-N 0 3 365.430 2.359 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180922504 547209813 /nfs/dbraw/zinc/20/98/13/547209813.db2.gz OCXZLMFHEOWCFV-FRRDWIJNSA-N 0 3 363.414 2.420 20 5 FEBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000182218258 547455686 /nfs/dbraw/zinc/45/56/86/547455686.db2.gz JUQJNNLSBQFNIE-VYDXJSESSA-N 0 3 360.414 2.114 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182681937 547533627 /nfs/dbraw/zinc/53/36/27/547533627.db2.gz QGBLDHADBDSANP-LLVKDONJSA-N 0 3 368.821 2.035 20 5 FEBDHN C[C@@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183291700 547633974 /nfs/dbraw/zinc/63/39/74/547633974.db2.gz NDJXJVVUTHLPTJ-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN O=C(CCN1CCOCC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000184089921 547767928 /nfs/dbraw/zinc/76/79/28/547767928.db2.gz AVKBUOLZKBXRPY-UHFFFAOYSA-N 0 3 363.414 2.052 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184353562 547812461 /nfs/dbraw/zinc/81/24/61/547812461.db2.gz LVMCPFIVXMSDCF-OAHLLOKOSA-N 0 3 362.474 2.276 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179049 547946832 /nfs/dbraw/zinc/94/68/32/547946832.db2.gz NWKWMNUCDBMINL-OCCSQVGLSA-N 0 3 353.394 2.064 20 5 FEBDHN CCC(CC)(CN[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)OC ZINC000192704992 548370740 /nfs/dbraw/zinc/37/07/40/548370740.db2.gz LUPQJSFJHPAPAP-HNNXBMFYSA-N 0 3 363.414 2.269 20 5 FEBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000195650575 548655376 /nfs/dbraw/zinc/65/53/76/548655376.db2.gz ZHPORMUHSNDKGG-ZIAGYGMSSA-N 0 3 372.429 2.026 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245789693 548994780 /nfs/dbraw/zinc/99/47/80/548994780.db2.gz NNJIRRLODZIWLL-JKSUJKDBSA-N 0 3 369.425 2.445 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245789693 548994783 /nfs/dbraw/zinc/99/47/83/548994783.db2.gz NNJIRRLODZIWLL-JKSUJKDBSA-N 0 3 369.425 2.445 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246269206 549092518 /nfs/dbraw/zinc/09/25/18/549092518.db2.gz UVJGBTBJCCHEMD-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN NC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132529 /nfs/dbraw/zinc/13/25/29/549132529.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 0 3 358.442 2.142 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000246748472 549202597 /nfs/dbraw/zinc/20/25/97/549202597.db2.gz ZRBQSYSJSDZYCU-HUUCEWRRSA-N 0 3 369.487 2.177 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000248053656 549404073 /nfs/dbraw/zinc/40/40/73/549404073.db2.gz OCIJFRWXAPFRQR-WBVHZDCISA-N 0 3 367.471 2.026 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000252656437 549675660 /nfs/dbraw/zinc/67/56/60/549675660.db2.gz GJSCUXJNEYMIQI-JKSUJKDBSA-N 0 3 369.425 2.337 20 5 FEBDHN O=C([C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000255555409 549707259 /nfs/dbraw/zinc/70/72/59/549707259.db2.gz XXJNNFASJFUPRX-GPCFVJJQSA-N 0 3 359.426 2.179 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261802480 549756438 /nfs/dbraw/zinc/75/64/38/549756438.db2.gz VYHYFHLGCKNVMO-LSDHHAIUSA-N 0 3 361.423 2.019 20 5 FEBDHN COCCCN1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000263704336 549922877 /nfs/dbraw/zinc/92/28/77/549922877.db2.gz CIKJFXRJVOHFJQ-UHFFFAOYSA-N 0 3 360.414 2.307 20 5 FEBDHN CN(C)C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263901897 549952918 /nfs/dbraw/zinc/95/29/18/549952918.db2.gz CQQMKGHAYVHHDZ-MRXNPFEDSA-N 0 3 360.458 2.364 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000493537552 561456609 /nfs/dbraw/zinc/45/66/09/561456609.db2.gz WDELKDZAYUQQNC-CZUORRHYSA-N 0 3 370.409 2.074 20 5 FEBDHN C[C@@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674547 550394222 /nfs/dbraw/zinc/39/42/22/550394222.db2.gz ITQGYSQJIVANAM-WBMJQRKESA-N 0 3 352.460 2.392 20 5 FEBDHN CN1CC=C(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000271745398 550398982 /nfs/dbraw/zinc/39/89/82/550398982.db2.gz AQCRJYRRDCUFSR-UHFFFAOYSA-N 0 3 361.370 2.265 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCO1 ZINC000277753447 550710280 /nfs/dbraw/zinc/71/02/80/550710280.db2.gz YWKAPPDTIFQJIB-CYBMUJFWSA-N 0 3 360.414 2.307 20 5 FEBDHN COc1cc(CN2CCN(C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000278605430 550803683 /nfs/dbraw/zinc/80/36/83/550803683.db2.gz IUVPAGHSBJFPJF-ZDUSSCGKSA-N 0 3 367.421 2.428 20 5 FEBDHN Cc1ccc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000279597583 550907080 /nfs/dbraw/zinc/90/70/80/550907080.db2.gz VXVRYLGAQXTQOV-GFCCVEGCSA-N 0 3 358.398 2.109 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CCC(N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000497525580 561503209 /nfs/dbraw/zinc/50/32/09/561503209.db2.gz SQTZZGISOQZKOD-UHFFFAOYSA-N 0 3 367.471 2.453 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000282605245 551251131 /nfs/dbraw/zinc/25/11/31/551251131.db2.gz BQLOEFCSHYWDQW-INIZCTEOSA-N 0 3 371.441 2.208 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000497873962 561510377 /nfs/dbraw/zinc/51/03/77/561510377.db2.gz BWPXLBMLCBXAKO-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000284641707 551596649 /nfs/dbraw/zinc/59/66/49/551596649.db2.gz OBWIAWDRKYHZEK-UKRRQHHQSA-N 0 3 357.357 2.101 20 5 FEBDHN Cn1nccc1[C@H]1[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCC(=O)N1C ZINC000284663586 551602452 /nfs/dbraw/zinc/60/24/52/551602452.db2.gz WBRGQXUSDXWLIR-NFJZJNBUSA-N 0 3 369.425 2.293 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275302 551984159 /nfs/dbraw/zinc/98/41/59/551984159.db2.gz SMHOVQVXXRMKKK-GOEBONIOSA-N 0 3 369.425 2.479 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364209 551994789 /nfs/dbraw/zinc/99/47/89/551994789.db2.gz WWOTWZRVNAOUAC-GXFFZTMASA-N 0 3 361.427 2.298 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000499726149 561557229 /nfs/dbraw/zinc/55/72/29/561557229.db2.gz WQSBQUYVHNKCOF-CQSZACIVSA-N 0 3 372.429 2.170 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384529 552144445 /nfs/dbraw/zinc/14/44/45/552144445.db2.gz LYRMHICTUHBITL-OLZOCXBDSA-N 0 3 361.398 2.065 20 5 FEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289385211 552312601 /nfs/dbraw/zinc/31/26/01/552312601.db2.gz LSZOGTSWCYBJRC-GOSISDBHSA-N 0 3 367.446 2.345 20 5 FEBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000500394617 561571472 /nfs/dbraw/zinc/57/14/72/561571472.db2.gz PXWAFRDRHJQBIV-INIZCTEOSA-N 0 3 358.398 2.498 20 5 FEBDHN CN(CCCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289581119 552344039 /nfs/dbraw/zinc/34/40/39/552344039.db2.gz RGSZHEDZTMPBJC-UHFFFAOYSA-N 0 3 364.183 2.404 20 5 FEBDHN COc1cc(C(=O)Nc2ccc3c(c2)CNCCO3)cc([N+](=O)[O-])c1OC ZINC000291018690 552576880 /nfs/dbraw/zinc/57/68/80/552576880.db2.gz FEFOOUJMLDOURJ-UHFFFAOYSA-N 0 3 373.365 2.346 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000292928811 552772046 /nfs/dbraw/zinc/77/20/46/552772046.db2.gz YSQRKWLLYJFWKN-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN CCC[C@@H](C)C(=O)NCCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590303 552838388 /nfs/dbraw/zinc/83/83/88/552838388.db2.gz CRQOIUKNSBBDBT-ZIAGYGMSSA-N 0 3 364.446 2.454 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000294180952 552888372 /nfs/dbraw/zinc/88/83/72/552888372.db2.gz PAUJUFQVBRBFNU-QGZVFWFLSA-N 0 3 351.378 2.057 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000295338780 552990183 /nfs/dbraw/zinc/99/01/83/552990183.db2.gz ZZDGRPSZZDRHNN-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000295504453 553017529 /nfs/dbraw/zinc/01/75/29/553017529.db2.gz HLQHITXHKONBQW-LSDHHAIUSA-N 0 3 355.394 2.255 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000295988331 553085413 /nfs/dbraw/zinc/08/54/13/553085413.db2.gz KMVJQYUEPKDAKA-FUHWJXTLSA-N 0 3 362.426 2.226 20 5 FEBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N(C)C)cc1OC ZINC000296552431 553178258 /nfs/dbraw/zinc/17/82/58/553178258.db2.gz OXASDHIRPDEDEU-CQSZACIVSA-N 0 3 361.402 2.425 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000296880743 553224429 /nfs/dbraw/zinc/22/44/29/553224429.db2.gz VACAEGXQHKVSNZ-AWEZNQCLSA-N 0 3 364.402 2.004 20 5 FEBDHN Cc1nc(NCc2ccccc2CN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000296952571 553234212 /nfs/dbraw/zinc/23/42/12/553234212.db2.gz CEQXUXWCSLEQHO-UHFFFAOYSA-N 0 3 357.414 2.262 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284032 553273436 /nfs/dbraw/zinc/27/34/36/553273436.db2.gz LLPYITUPLLMTMF-GOEBONIOSA-N 0 3 351.447 2.491 20 5 FEBDHN COC(=O)[C@]1(C)CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000503201739 561636498 /nfs/dbraw/zinc/63/64/98/561636498.db2.gz DNZKKHYQEYTESE-SJKOYZFVSA-N 0 3 352.387 2.113 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000297788202 553338687 /nfs/dbraw/zinc/33/86/87/553338687.db2.gz HCHIMBWFBUQEHT-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN COc1ccc(NC(=O)CCN(CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000298115305 553386315 /nfs/dbraw/zinc/38/63/15/553386315.db2.gz MMEDLEITTNQQEI-UHFFFAOYSA-N 0 3 373.409 2.427 20 5 FEBDHN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)[NH+]2CCCC2)c1 ZINC000298846672 553480385 /nfs/dbraw/zinc/48/03/85/553480385.db2.gz ARHMQRYVVSHOKE-INIZCTEOSA-N 0 3 358.398 2.498 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299327383 553548358 /nfs/dbraw/zinc/54/83/58/553548358.db2.gz YXEZZAXZSHSMTH-SECBINFHSA-N 0 3 359.329 2.029 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000299600950 553587345 /nfs/dbraw/zinc/58/73/45/553587345.db2.gz IOXGUBXZPBIEEJ-CYBMUJFWSA-N 0 3 362.430 2.030 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000301102143 553622562 /nfs/dbraw/zinc/62/25/62/553622562.db2.gz QIQQGRCJGVMADX-MRXNPFEDSA-N 0 3 355.398 2.338 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572235 553661972 /nfs/dbraw/zinc/66/19/72/553661972.db2.gz LETMUGXUWSEPBU-SUMWQHHRSA-N 0 3 369.425 2.411 20 5 FEBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000302179790 553709093 /nfs/dbraw/zinc/70/90/93/553709093.db2.gz YYEUCEKJTZERDB-QGZVFWFLSA-N 0 3 356.430 2.176 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302194939 553709806 /nfs/dbraw/zinc/70/98/06/553709806.db2.gz SFULHJSXMGGFGU-AWEZNQCLSA-N 0 3 370.475 2.165 20 5 FEBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H](O)CN1CCc3ccccc3C1)CCN2 ZINC000302387008 553715849 /nfs/dbraw/zinc/71/58/49/553715849.db2.gz AYPLSEJRGHKZOS-MRXNPFEDSA-N 0 3 368.437 2.394 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000505503066 561672540 /nfs/dbraw/zinc/67/25/40/561672540.db2.gz KWAFVQHICDCLMJ-LJQANCHMSA-N 0 3 369.425 2.338 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000505616808 561675543 /nfs/dbraw/zinc/67/55/43/561675543.db2.gz ZFJNTTIRIZOXON-KRWDZBQOSA-N 0 3 353.369 2.360 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000325214147 553775485 /nfs/dbraw/zinc/77/54/85/553775485.db2.gz NUUJOQDKIHCGOI-GFCCVEGCSA-N 0 3 373.862 2.415 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000530710804 562421383 /nfs/dbraw/zinc/42/13/83/562421383.db2.gz SQJHOOISVBUZHM-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN Cc1c(Br)cc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000509651741 561809178 /nfs/dbraw/zinc/80/91/78/561809178.db2.gz NOSQLXKTJRATMI-UHFFFAOYSA-N 0 3 356.220 2.490 20 5 FEBDHN COc1cccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000332199669 554399965 /nfs/dbraw/zinc/39/99/65/554399965.db2.gz QEDZPIRISCFAME-UKRRQHHQSA-N 0 3 365.455 2.255 20 5 FEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000332381719 554435483 /nfs/dbraw/zinc/43/54/83/554435483.db2.gz HEPIGTYIOOJQNC-KDOFPFPSSA-N 0 3 350.438 2.192 20 5 FEBDHN CN1CCC(Cc2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CC1 ZINC000351204271 554843107 /nfs/dbraw/zinc/84/31/07/554843107.db2.gz QWDPBHMHQHBBKV-UHFFFAOYSA-N 0 3 369.385 2.110 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000362288427 554961141 /nfs/dbraw/zinc/96/11/41/554961141.db2.gz WEPYPXDYJHTLGC-UHFFFAOYSA-N 0 3 364.365 2.074 20 5 FEBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)N1CCOc2ccccc2C1 ZINC000362709313 554983109 /nfs/dbraw/zinc/98/31/09/554983109.db2.gz DRMNOKYGEVSDMX-UHFFFAOYSA-N 0 3 355.394 2.496 20 5 FEBDHN COCCCN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000363347358 555082559 /nfs/dbraw/zinc/08/25/59/555082559.db2.gz GXYMQKVRXXDTOQ-UHFFFAOYSA-N 0 3 355.822 2.433 20 5 FEBDHN CC(C)CN1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000363419307 555101301 /nfs/dbraw/zinc/10/13/01/555101301.db2.gz VBDZHCPNVVJWHQ-SFHVURJKSA-N 0 3 360.458 2.364 20 5 FEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCN(C2CCOCC2)CC1 ZINC000363427304 555103301 /nfs/dbraw/zinc/10/33/01/555103301.db2.gz UZKJVANEEAHCCL-UHFFFAOYSA-N 0 3 361.442 2.241 20 5 FEBDHN Cc1c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000363826100 555194420 /nfs/dbraw/zinc/19/44/20/555194420.db2.gz LIWQVQNBVNYAPS-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1=CCN(C)CC1 ZINC000512122110 561893047 /nfs/dbraw/zinc/89/30/47/561893047.db2.gz HIHLRKAVPUQLNU-LBPRGKRZSA-N 0 3 365.455 2.059 20 5 FEBDHN N[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000364198203 555267737 /nfs/dbraw/zinc/26/77/37/555267737.db2.gz XGVKXTGAYQQJCL-HOTGVXAUSA-N 0 3 374.328 2.209 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN(CC(C)(C)O)CC1 ZINC000364598701 555348899 /nfs/dbraw/zinc/34/88/99/555348899.db2.gz JGJUBSRPBVYIEQ-UHFFFAOYSA-N 0 3 351.447 2.272 20 5 FEBDHN Cc1nnc(C2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000365108037 555486864 /nfs/dbraw/zinc/48/68/64/555486864.db2.gz AKDGYYAWDUCBNV-LLVKDONJSA-N 0 3 358.402 2.228 20 5 FEBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000365338525 555548059 /nfs/dbraw/zinc/54/80/59/555548059.db2.gz HOEFPIPRJCVBQJ-AWEZNQCLSA-N 0 3 366.849 2.100 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794937 555669024 /nfs/dbraw/zinc/66/90/24/555669024.db2.gz LWQJQTXLYHQWLB-CZUORRHYSA-N 0 3 364.402 2.094 20 5 FEBDHN Cc1cc(C)cc(OC[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365817932 555674195 /nfs/dbraw/zinc/67/41/95/555674195.db2.gz DKOVEVMJVQCZEM-QGZVFWFLSA-N 0 3 374.441 2.485 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000366202308 555780447 /nfs/dbraw/zinc/78/04/47/555780447.db2.gz OAVFZMASJUCBHR-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN CCc1nc(CN2C[C@@H]3CN(Cc4cccc([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000366690473 555909978 /nfs/dbraw/zinc/90/99/78/555909978.db2.gz ASZBWOOTXGQNCD-GJZGRUSLSA-N 0 3 357.414 2.104 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000367886534 556164897 /nfs/dbraw/zinc/16/48/97/556164897.db2.gz PXKCXIHJAMVNIT-MRXNPFEDSA-N 0 3 363.458 2.123 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072114 556210684 /nfs/dbraw/zinc/21/06/84/556210684.db2.gz IEFBYUVAKAXAIE-IBGZPJMESA-N 0 3 357.410 2.130 20 5 FEBDHN COc1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000368200221 556246446 /nfs/dbraw/zinc/24/64/46/556246446.db2.gz KHPQNAFCTYPICK-UHFFFAOYSA-N 0 3 362.474 2.457 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@H]2CCCOC2)CC1 ZINC000368612456 556362208 /nfs/dbraw/zinc/36/22/08/556362208.db2.gz KPJCJUVBJPDDIH-DLBZAZTESA-N 0 3 364.442 2.473 20 5 FEBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976428 556465718 /nfs/dbraw/zinc/46/57/18/556465718.db2.gz WGKZQPTZRZXLQD-XUWXXGDYSA-N 0 3 370.409 2.378 20 5 FEBDHN CC(C)NC(=O)c1cnn2c1C[C@@H](CNCc1ccccc1[N+](=O)[O-])CC2 ZINC000369052040 556489311 /nfs/dbraw/zinc/48/93/11/556489311.db2.gz RRRGALBEAUFVJI-AWEZNQCLSA-N 0 3 371.441 2.282 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000369155362 556519418 /nfs/dbraw/zinc/51/94/18/556519418.db2.gz DGVUGJHZUFISOH-UHFFFAOYSA-N 0 3 360.458 2.227 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000516096487 562030664 /nfs/dbraw/zinc/03/06/64/562030664.db2.gz BRVCNHXBEYGLQG-NSHDSACASA-N 0 3 361.354 2.098 20 5 FEBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000369495699 556611596 /nfs/dbraw/zinc/61/15/96/556611596.db2.gz DIBIMEJGKSKPGF-OAHLLOKOSA-N 0 3 366.849 2.100 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000370107141 556782477 /nfs/dbraw/zinc/78/24/77/556782477.db2.gz GQBXCOSEGMSOBV-CQSZACIVSA-N 0 3 353.444 2.070 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCCCCC2)C1 ZINC000370122065 556786512 /nfs/dbraw/zinc/78/65/12/556786512.db2.gz XLGCHTWDQXCDTC-QGZVFWFLSA-N 0 3 374.441 2.400 20 5 FEBDHN Cc1ccc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000370143138 556792498 /nfs/dbraw/zinc/79/24/98/556792498.db2.gz RNNHMAZOMBYWFJ-UHFFFAOYSA-N 0 3 358.402 3.010 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3cnccn3)CC2)c1 ZINC000370443576 556875419 /nfs/dbraw/zinc/87/54/19/556875419.db2.gz DDJICVXMODQJKQ-MRXNPFEDSA-N 0 3 358.398 2.004 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689125 556940832 /nfs/dbraw/zinc/94/08/32/556940832.db2.gz KBGVKHFOBRDKAV-ZWKOTPCHSA-N 0 3 374.441 2.132 20 5 FEBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371355132 557157603 /nfs/dbraw/zinc/15/76/03/557157603.db2.gz OTMGMPSJYGSOHY-HXSXWYSASA-N 0 3 372.469 2.092 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@@H]3CN(C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452546 562111886 /nfs/dbraw/zinc/11/18/86/562111886.db2.gz LTKLUXHKTMPBKQ-CQSZACIVSA-N 0 3 374.441 2.199 20 5 FEBDHN COc1ccc2c(c1)[C@@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372345776 557445913 /nfs/dbraw/zinc/44/59/13/557445913.db2.gz LJNYWASZDWOEJW-AWEZNQCLSA-N 0 3 357.410 2.427 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372368685 557452256 /nfs/dbraw/zinc/45/22/56/557452256.db2.gz VZLGAFKBPBKQDF-YJBOKZPZSA-N 0 3 360.458 2.001 20 5 FEBDHN CN1CCC(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000372529573 557494504 /nfs/dbraw/zinc/49/45/04/557494504.db2.gz RSTQAMKMFSINNV-IEBWSBKVSA-N 0 3 372.469 2.336 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000373039463 557615052 /nfs/dbraw/zinc/61/50/52/557615052.db2.gz GEJUVXVHQXVLMK-AWEZNQCLSA-N 0 3 353.854 2.248 20 5 FEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C1CCN(C)CC1 ZINC000373165927 557642418 /nfs/dbraw/zinc/64/24/18/557642418.db2.gz KCSBVIYWSYSSMY-GFCCVEGCSA-N 0 3 353.854 2.248 20 5 FEBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000373992113 557803165 /nfs/dbraw/zinc/80/31/65/557803165.db2.gz JOLWVHNDTNVHBA-UHFFFAOYSA-N 0 3 360.439 2.488 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377539 558017715 /nfs/dbraw/zinc/01/77/15/558017715.db2.gz GGDOAQOMOLZQSR-CABCVRRESA-N 0 3 364.450 2.012 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C1 ZINC000375523038 558042529 /nfs/dbraw/zinc/04/25/29/558042529.db2.gz WEEDUVDPABYAQI-GFCCVEGCSA-N 0 3 373.379 2.225 20 5 FEBDHN COc1cc(OCC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000375825181 558085605 /nfs/dbraw/zinc/08/56/05/558085605.db2.gz OQXHFQIDDOXFGX-KGLIPLIRSA-N 0 3 363.414 2.067 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)n1 ZINC000377647844 558386135 /nfs/dbraw/zinc/38/61/35/558386135.db2.gz TZRKKFJGPURZKG-ZFWWWQNUSA-N 0 3 350.806 2.153 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377704899 558401456 /nfs/dbraw/zinc/40/14/56/558401456.db2.gz NZTKIDQUPBWKGA-UHFFFAOYSA-N 0 3 351.403 2.433 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4nc[nH]n4)C3)n2)c1 ZINC000378008585 558462108 /nfs/dbraw/zinc/46/21/08/558462108.db2.gz XQEWCKXRTFCTSS-GFCCVEGCSA-N 0 3 355.358 2.143 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(C)c([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000378347089 558534922 /nfs/dbraw/zinc/53/49/22/558534922.db2.gz BXWPJCFAPNRIIW-IYBDPMFKSA-N 0 3 371.441 2.412 20 5 FEBDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNc1ncc([N+](=O)[O-])cc1C ZINC000378423607 558553302 /nfs/dbraw/zinc/55/33/02/558553302.db2.gz LPVIDLLWJSPLCO-UHFFFAOYSA-N 0 3 373.461 2.094 20 5 FEBDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183024 558654579 /nfs/dbraw/zinc/65/45/79/558654579.db2.gz OUYAGVXAVZMZCE-RHSMWYFYSA-N 0 3 358.442 2.043 20 5 FEBDHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183025 558654710 /nfs/dbraw/zinc/65/47/10/558654710.db2.gz OUYAGVXAVZMZCE-WMLDXEAASA-N 0 3 358.442 2.043 20 5 FEBDHN COc1ccc(CSCC(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524775173 562234440 /nfs/dbraw/zinc/23/44/40/562234440.db2.gz UHPZWFCBKMFBAL-ZDUSSCGKSA-N 0 3 367.471 2.295 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715107 558949595 /nfs/dbraw/zinc/94/95/95/558949595.db2.gz AXHVMRXMTCJFTN-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791338 558963750 /nfs/dbraw/zinc/96/37/50/558963750.db2.gz KVCVJPPMOJSBPG-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411907957 558986182 /nfs/dbraw/zinc/98/61/82/558986182.db2.gz CNQGTINLFIMATI-LMMKCTJWSA-N 0 3 358.394 2.142 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411985854 558999200 /nfs/dbraw/zinc/99/92/00/558999200.db2.gz SWRTVVQPWRFQNL-HNNXBMFYSA-N 0 3 365.430 2.223 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411985855 558999295 /nfs/dbraw/zinc/99/92/95/558999295.db2.gz SWRTVVQPWRFQNL-OAHLLOKOSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](CC(C)C)CN(C)C)c1F ZINC000412165768 559017898 /nfs/dbraw/zinc/01/78/98/559017898.db2.gz FEJAKZFMTAJPFT-GFCCVEGCSA-N 0 3 355.410 2.378 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000412297717 559025840 /nfs/dbraw/zinc/02/58/40/559025840.db2.gz FDEMHRXJMGKFKE-FHLIZLRMSA-N 0 3 361.442 2.315 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412364982 559031030 /nfs/dbraw/zinc/03/10/30/559031030.db2.gz PEDOPEKJAXRBNR-XWTMOSNGSA-N 0 3 359.426 2.020 20 5 FEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000527183087 562279299 /nfs/dbraw/zinc/27/92/99/562279299.db2.gz UPBDQJIKPXJZFB-GOSISDBHSA-N 0 3 359.357 2.309 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416385524 559309150 /nfs/dbraw/zinc/30/91/50/559309150.db2.gz HRBWOYMAIJHKCJ-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCNCc1cccnc1 ZINC000418324320 559397571 /nfs/dbraw/zinc/39/75/71/559397571.db2.gz GPAHWLJECXJHLS-UHFFFAOYSA-N 0 3 371.441 2.354 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419002738 559425107 /nfs/dbraw/zinc/42/51/07/559425107.db2.gz MRGSWOCHUNZWEO-UHFFFAOYSA-N 0 3 370.475 2.131 20 5 FEBDHN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449903 559487960 /nfs/dbraw/zinc/48/79/60/559487960.db2.gz GOQNSSTUJMJHLW-WPRPVWTQSA-N 0 3 367.349 2.019 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420452114 559488146 /nfs/dbraw/zinc/48/81/46/559488146.db2.gz BZUJDDPBPYJVDJ-MRXNPFEDSA-N 0 3 363.439 2.444 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000421796423 559553767 /nfs/dbraw/zinc/55/37/67/559553767.db2.gz OITLGLSLYGNTLB-FUHWJXTLSA-N 0 3 374.485 2.310 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424013991 559650951 /nfs/dbraw/zinc/65/09/51/559650951.db2.gz SKQUUZPJRBYLRA-DLBZAZTESA-N 0 3 359.357 2.066 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504299 559706447 /nfs/dbraw/zinc/70/64/47/559706447.db2.gz VJFDBBBRKKUARN-CQSZACIVSA-N 0 3 358.402 2.160 20 5 FEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425661652 559713724 /nfs/dbraw/zinc/71/37/24/559713724.db2.gz YAHZBVINJAMXNU-MAUKXSAKSA-N 0 3 367.409 2.150 20 5 FEBDHN CCCN(CCN1CCN(CC)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000426147576 559730454 /nfs/dbraw/zinc/73/04/54/559730454.db2.gz CHSXLUIKEFGKCI-UHFFFAOYSA-N 0 3 362.474 2.013 20 5 FEBDHN CCN1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000432488400 559859573 /nfs/dbraw/zinc/85/95/73/559859573.db2.gz FFNMYPCQLHUPFB-UHFFFAOYSA-N 0 3 372.425 2.465 20 5 FEBDHN Cc1c(NC(=O)CCN2CCSC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000438646582 559981706 /nfs/dbraw/zinc/98/17/06/559981706.db2.gz BPHDAOSQPNEIHN-ZDUSSCGKSA-N 0 3 353.444 2.032 20 5 FEBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000449145934 560218005 /nfs/dbraw/zinc/21/80/05/560218005.db2.gz ZPOBJCGWZULQJR-AWEZNQCLSA-N 0 3 355.460 2.432 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449931061 560245693 /nfs/dbraw/zinc/24/56/93/560245693.db2.gz XWALEBNSBCUYBF-ZFWWWQNUSA-N 0 3 357.414 2.335 20 5 FEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096234 560250568 /nfs/dbraw/zinc/25/05/68/560250568.db2.gz GOCDAFRVMGKSFQ-DZGCQCFKSA-N 0 3 357.414 2.239 20 5 FEBDHN COCCN1CCC(Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450277123 560256752 /nfs/dbraw/zinc/25/67/52/560256752.db2.gz ORVMSIFVKNFIAG-UHFFFAOYSA-N 0 3 360.414 2.096 20 5 FEBDHN CCOC(=O)[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000450574287 560266618 /nfs/dbraw/zinc/26/66/18/560266618.db2.gz ZOZBOJAGYSEBHY-OAHLLOKOSA-N 0 3 371.393 2.467 20 5 FEBDHN CCOc1cc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309426 560299347 /nfs/dbraw/zinc/29/93/47/560299347.db2.gz WPCXAZDWJAFOID-UXLLHSPISA-N 0 3 350.415 2.355 20 5 FEBDHN CN(C)S(=O)(=O)CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546733 560313889 /nfs/dbraw/zinc/31/38/89/560313889.db2.gz JNFNMYFRPWDUER-HNNXBMFYSA-N 0 3 355.460 2.056 20 5 FEBDHN CO[C@@H]1C[C@@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826204 560330958 /nfs/dbraw/zinc/33/09/58/560330958.db2.gz FENYPTNHAAPOGG-USXIJHARSA-N 0 3 350.415 2.224 20 5 FEBDHN CCN1CCN(CC(C)(C)NCc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000451982851 560342249 /nfs/dbraw/zinc/34/22/49/560342249.db2.gz KFBQJBCPSDDNHN-UHFFFAOYSA-N 0 3 350.463 2.109 20 5 FEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452035610 560346967 /nfs/dbraw/zinc/34/69/67/560346967.db2.gz XBLQJRBCVGTOCN-BXUZGUMPSA-N 0 3 365.386 2.199 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452109021 560351829 /nfs/dbraw/zinc/35/18/29/560351829.db2.gz GHCLADVDDMPELM-HIFRSBDPSA-N 0 3 363.414 2.289 20 5 FEBDHN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN(C2CC2)C1 ZINC000452172064 560354644 /nfs/dbraw/zinc/35/46/44/560354644.db2.gz UJOHZSOIVYZNEQ-AWEZNQCLSA-N 0 3 356.426 2.492 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000458297073 560613743 /nfs/dbraw/zinc/61/37/43/560613743.db2.gz RMDHIJKTMVYPNE-UHFFFAOYSA-N 0 3 365.365 2.212 20 5 FEBDHN C[C@@H]1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000463737093 560822560 /nfs/dbraw/zinc/82/25/60/560822560.db2.gz DCCWXISGFMXXGG-RDBSUJKOSA-N 0 3 355.460 2.287 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000467221017 560906684 /nfs/dbraw/zinc/90/66/84/560906684.db2.gz YVRAEBCGUFFABW-OAHLLOKOSA-N 0 3 372.878 2.485 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000468440545 560930057 /nfs/dbraw/zinc/93/00/57/560930057.db2.gz VZPALZIVRFOKGU-AWEZNQCLSA-N 0 3 362.430 2.099 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000469163348 560948832 /nfs/dbraw/zinc/94/88/32/560948832.db2.gz IEHCNACNZXFLCH-OLZOCXBDSA-N 0 3 371.459 2.097 20 5 FEBDHN CCCCN(C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469234588 560950487 /nfs/dbraw/zinc/95/04/87/560950487.db2.gz HJJAOIZFZATJBT-UHFFFAOYSA-N 0 3 350.419 2.099 20 5 FEBDHN COC(=O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470150027 560975382 /nfs/dbraw/zinc/97/53/82/560975382.db2.gz GBQJHKOBNMRTRV-WBMJQRKESA-N 0 3 358.398 2.379 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470151120 560975576 /nfs/dbraw/zinc/97/55/76/560975576.db2.gz ZMMMDXXGPFBRKG-CYBMUJFWSA-N 0 3 367.425 2.129 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000470173733 560976034 /nfs/dbraw/zinc/97/60/34/560976034.db2.gz NFEFGKZBVVJADP-XCTGESOMSA-N 0 3 372.469 2.237 20 5 FEBDHN CNC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603151 561030713 /nfs/dbraw/zinc/03/07/13/561030713.db2.gz CDFYDYWQOPTZEY-HOTGVXAUSA-N 0 3 357.414 2.424 20 5 FEBDHN CN1CC[C@@H](Cn2nnnc2Sc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473514936 561051616 /nfs/dbraw/zinc/05/16/16/561051616.db2.gz ZMSRAMRSEPBZBB-LLVKDONJSA-N 0 3 371.426 2.232 20 5 FEBDHN COC(=O)COc1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016477 561063633 /nfs/dbraw/zinc/06/36/33/561063633.db2.gz YHSIUYYXBIQNTB-ZWKOTPCHSA-N 0 3 364.398 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2csc(C)n2)cc1[N+](=O)[O-] ZINC000474341280 561071652 /nfs/dbraw/zinc/07/16/52/561071652.db2.gz ITANTKITJLKCML-UHFFFAOYSA-N 0 3 365.411 2.244 20 5 FEBDHN Cc1ccc(CCCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000474935940 561085829 /nfs/dbraw/zinc/08/58/29/561085829.db2.gz UOUDYAOMPAQJAY-UHFFFAOYSA-N 0 3 363.439 2.294 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2nccn2C)C1 ZINC000533866997 562520236 /nfs/dbraw/zinc/52/02/36/562520236.db2.gz PKOUJXMGYUBTHU-CQSZACIVSA-N 0 3 357.414 2.455 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000534827495 562543217 /nfs/dbraw/zinc/54/32/17/562543217.db2.gz LECVICBTNOKICC-CVEARBPZSA-N 0 3 364.471 2.287 20 5 FEBDHN CCN1CCC(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000540856533 562594562 /nfs/dbraw/zinc/59/45/62/562594562.db2.gz UJDXPOVVQFGKPJ-UHFFFAOYSA-N 0 3 357.414 2.059 20 5 FEBDHN COC(=O)c1cc(NC(=O)CCN(C)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000540928333 562597324 /nfs/dbraw/zinc/59/73/24/562597324.db2.gz VCOHWKRQMBEQMU-UHFFFAOYSA-N 0 3 358.354 2.241 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000568145924 567941491 /nfs/dbraw/zinc/94/14/91/567941491.db2.gz UKHMXTHFXHLVRY-UHFFFAOYSA-N 0 3 363.462 2.306 20 5 FEBDHN COCCN(C)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602526279 567987792 /nfs/dbraw/zinc/98/77/92/567987792.db2.gz GYJGHLIHEGSYHL-UHFFFAOYSA-N 0 3 352.254 2.087 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[N+](=O)[O-] ZINC000813102612 674719630 /nfs/dbraw/zinc/71/96/30/674719630.db2.gz TTZVRRCNZFRZMR-CYBMUJFWSA-N 0 3 363.391 2.483 20 5 FEBDHN CC(COC(=O)CSc1nncn1-c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813104971 674720165 /nfs/dbraw/zinc/72/01/65/674720165.db2.gz IJLHUMYHSKPZIA-SECBINFHSA-N 0 3 356.791 2.221 20 5 FEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[N+](=O)[O-] ZINC000813106017 674720174 /nfs/dbraw/zinc/72/01/74/674720174.db2.gz XNMIAISCTPCRKB-ZJUUUORDSA-N 0 3 371.187 2.010 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000563055936 674840139 /nfs/dbraw/zinc/84/01/39/674840139.db2.gz ZEGOIWZXPASYFJ-YIONKMFJSA-N 0 3 367.471 2.403 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000563435785 674887451 /nfs/dbraw/zinc/88/74/51/674887451.db2.gz CCUFICDZGYRSSP-AWEZNQCLSA-N 0 3 355.460 2.135 20 5 FEBDHN O=C(NCCN1CCCCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077850528 670576822 /nfs/dbraw/zinc/57/68/22/670576822.db2.gz MBIGCFUAIXUALR-UHFFFAOYSA-N 0 3 368.821 2.179 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC000575141165 671301117 /nfs/dbraw/zinc/30/11/17/671301117.db2.gz LPDLPQZNWYOSIT-ZDUSSCGKSA-N 0 3 365.821 2.497 20 5 FEBDHN COc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000579756110 671758305 /nfs/dbraw/zinc/75/83/05/671758305.db2.gz IPMDWSMAZRVSMC-ZDUSSCGKSA-N 0 3 350.346 2.272 20 5 FEBDHN Cc1ccsc1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000126767531 672028591 /nfs/dbraw/zinc/02/85/91/672028591.db2.gz AEMQAMWOBSRRIH-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]CC[NH+](C(C)C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588913 672592830 /nfs/dbraw/zinc/59/28/30/672592830.db2.gz CPSRNTPOSAKFDY-UHFFFAOYSA-N 0 3 361.439 2.439 20 5 FEBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000591334162 672672326 /nfs/dbraw/zinc/67/23/26/672672326.db2.gz ICJQFYWZQYZTSI-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027710 673022595 /nfs/dbraw/zinc/02/25/95/673022595.db2.gz YPWOIYUAUNUGIT-QAPCUYQASA-N 0 3 350.415 2.368 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN([C@H]2CCOC2)CC1 ZINC000612617006 676090489 /nfs/dbraw/zinc/09/04/89/676090489.db2.gz YJHBLRDACMGTSZ-ZDUSSCGKSA-N 0 3 352.366 2.109 20 5 FEBDHN CCNCc1ccn(Cc2cn(-c3ccc(Cl)cc3[N+](=O)[O-])nn2)n1 ZINC000594650893 673108767 /nfs/dbraw/zinc/10/87/67/673108767.db2.gz AMGNPEOHQCDFMN-UHFFFAOYSA-N 0 3 361.793 2.183 20 5 FEBDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779969 673324463 /nfs/dbraw/zinc/32/44/63/673324463.db2.gz HBEGXAJSWHZFBL-QCZZGDTMSA-N 0 3 353.806 2.468 20 5 FEBDHN CS[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000597101423 673448080 /nfs/dbraw/zinc/44/80/80/673448080.db2.gz QMPRYGIXMWTKMY-NEPJUHHUSA-N 0 3 373.866 2.340 20 5 FEBDHN CCN1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000543208305 673632805 /nfs/dbraw/zinc/63/28/05/673632805.db2.gz SJBJYCRBKXHCEI-ZBFHGGJFSA-N 0 3 369.487 2.173 20 5 FEBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000599182830 673639253 /nfs/dbraw/zinc/63/92/53/673639253.db2.gz CXCQEMMGSDPXAF-UHFFFAOYSA-N 0 3 352.410 2.397 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000546093757 673791663 /nfs/dbraw/zinc/79/16/63/673791663.db2.gz ZWYMKUJUPDOZTR-KBPBESRZSA-N 0 3 355.460 2.277 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601355286 673847174 /nfs/dbraw/zinc/84/71/74/673847174.db2.gz NAXYKFYYEKCRKE-ZYHUDNBSSA-N 0 3 361.489 2.458 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1(O)CCOCC1 ZINC000601956383 673900092 /nfs/dbraw/zinc/90/00/92/673900092.db2.gz RCBKGRHAGALJDE-QGZVFWFLSA-N 0 3 352.431 2.098 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(CCN2CCOCC2)[C@H]2CCSC2)cc1 ZINC000602880475 673912632 /nfs/dbraw/zinc/91/26/32/673912632.db2.gz GGICSOMSKREBAG-KRWDZBQOSA-N 0 3 351.472 2.235 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000549079374 674015519 /nfs/dbraw/zinc/01/55/19/674015519.db2.gz YYOWTJLJSBCOEL-NSHDSACASA-N 0 3 359.329 2.246 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC[C@H]2CCCCO2)cc1 ZINC000566851355 675247614 /nfs/dbraw/zinc/24/76/14/675247614.db2.gz DFWBUFJAIRDKMZ-OAHLLOKOSA-N 0 3 356.444 2.307 20 5 FEBDHN CCS(=O)(=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819211214 675270167 /nfs/dbraw/zinc/27/01/67/675270167.db2.gz WOSMKRJAXBLLFO-KRWDZBQOSA-N 0 3 364.423 2.212 20 5 FEBDHN CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000824835544 675624774 /nfs/dbraw/zinc/62/47/74/675624774.db2.gz XASQMVFTJGJEIC-SNVBAGLBSA-N 0 3 371.235 2.106 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000825769641 675668088 /nfs/dbraw/zinc/66/80/88/675668088.db2.gz AKNMFNMPUFDBAC-LBPRGKRZSA-N 0 3 350.394 2.014 20 5 FEBDHN O=C(Nc1nncs1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603896570 675801820 /nfs/dbraw/zinc/80/18/20/675801820.db2.gz HVOAMIQJGQVPBD-UHFFFAOYSA-N 0 3 361.427 2.340 20 5 FEBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N1CCCCC1 ZINC000839468277 680754466 /nfs/dbraw/zinc/75/44/66/680754466.db2.gz VFLPDZFBVPMJAH-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758152542 680557695 /nfs/dbraw/zinc/55/76/95/680557695.db2.gz YKWOKZWHNMQEQP-AWEZNQCLSA-N 0 3 351.378 2.107 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770008295 681002843 /nfs/dbraw/zinc/00/28/43/681002843.db2.gz VJYUZUHXSUGGSK-UHFFFAOYSA-N 0 3 356.810 2.481 20 5 FEBDHN CC(=O)N1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845872847 681158119 /nfs/dbraw/zinc/15/81/19/681158119.db2.gz PPOXYHJQSPHBCA-MEDUHNTESA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@H](OC(=O)c1ccoc1CC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882002 681158981 /nfs/dbraw/zinc/15/89/81/681158981.db2.gz NJJNQBUWBPMOCS-VFZGTOFNSA-N 0 3 350.302 2.010 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CN(C/C(Cl)=C/Cl)C[C@H]2CC1 ZINC000946589098 681243979 /nfs/dbraw/zinc/24/39/79/681243979.db2.gz FYSDVPOSMHEONU-RFXRVCHDSA-N 0 3 362.257 2.141 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933241565 681379235 /nfs/dbraw/zinc/37/92/35/681379235.db2.gz AFFNZRPJPYFWBM-ZDUSSCGKSA-N 0 3 358.320 2.442 20 5 FEBDHN COCCN(C)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848674578 681597094 /nfs/dbraw/zinc/59/70/94/681597094.db2.gz GJAOLLKRGVHTSV-LLVKDONJSA-N 0 3 357.457 2.236 20 5 FEBDHN CC(COC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000851037328 682003926 /nfs/dbraw/zinc/00/39/26/682003926.db2.gz SWNSWGQSGZZFDQ-JTQLQIEISA-N 0 3 356.379 2.174 20 5 FEBDHN C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000915970384 685519979 /nfs/dbraw/zinc/51/99/79/685519979.db2.gz SWKSTLSENHZCAS-BBRMVZONSA-N 0 3 353.444 2.061 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000917838110 685534986 /nfs/dbraw/zinc/53/49/86/685534986.db2.gz IDBYRRIGEUEYRY-NSHDSACASA-N 0 3 350.375 2.416 20 5 FEBDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584644 682304935 /nfs/dbraw/zinc/30/49/35/682304935.db2.gz PJKTVMJCRTXPRT-HERUPUMHSA-N 0 3 353.806 2.468 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000790009832 682645920 /nfs/dbraw/zinc/64/59/20/682645920.db2.gz ZOPFIDFBPMUWDI-UHFFFAOYSA-N 0 3 364.379 2.237 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791209253 682728638 /nfs/dbraw/zinc/72/86/38/682728638.db2.gz LMQLBQLJLBQWIV-GFCCVEGCSA-N 0 3 352.410 2.262 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798160720 683315985 /nfs/dbraw/zinc/31/59/85/683315985.db2.gz NMGDLVTZFIKLGB-SNVBAGLBSA-N 0 3 371.235 2.214 20 5 FEBDHN CN(C)[C@@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000922754236 683777457 /nfs/dbraw/zinc/77/74/57/683777457.db2.gz WMQHHMYNKPKTBW-AWEZNQCLSA-N 0 3 363.336 2.338 20 5 FEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000866295433 684090105 /nfs/dbraw/zinc/09/01/05/684090105.db2.gz BSODXSUVSPEUNB-SKDRFNHKSA-N 0 3 363.311 2.418 20 5 FEBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC1(C)C ZINC000871154797 684791659 /nfs/dbraw/zinc/79/16/59/684791659.db2.gz JJXLGCUUIXVBGV-UHFFFAOYSA-N 0 3 367.471 2.236 20 5 FEBDHN CC(C)N1C(=O)CC[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873544047 685154764 /nfs/dbraw/zinc/15/47/64/685154764.db2.gz AYXAROXSKBGMRR-DIOULYMOSA-N 0 3 352.362 2.475 20 5 FEBDHN CCC[C@@H](NCC1(S(=O)(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000886732479 688297484 /nfs/dbraw/zinc/29/74/84/688297484.db2.gz HJRHUQOYVPITTA-OAHLLOKOSA-N 0 3 355.460 2.450 20 5 FEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896840378 689937885 /nfs/dbraw/zinc/93/78/85/689937885.db2.gz RHJGSEKQLGKKNC-LLVKDONJSA-N 0 3 363.336 2.425 20 5 FEBDHN COc1c(O)ccc(CNC[C@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896840378 689937888 /nfs/dbraw/zinc/93/78/88/689937888.db2.gz RHJGSEKQLGKKNC-LLVKDONJSA-N 0 3 363.336 2.425 20 5 FEBDHN C[C@H](N[C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852760 691183111 /nfs/dbraw/zinc/18/31/11/691183111.db2.gz NDMHQESPGRXWPN-RCBQFDQVSA-N 0 3 364.471 2.091 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907458181 691487745 /nfs/dbraw/zinc/48/77/45/691487745.db2.gz ZNYKSJBNGSXNRG-LLVKDONJSA-N 0 3 372.828 2.143 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000078737080 210221641 /nfs/dbraw/zinc/22/16/41/210221641.db2.gz ASQWVHUMHAXOLP-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@H](C)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000027747879 539816166 /nfs/dbraw/zinc/81/61/66/539816166.db2.gz FRDJORVFMUNKPI-CYBMUJFWSA-N 0 3 363.414 2.376 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000058851296 540857404 /nfs/dbraw/zinc/85/74/04/540857404.db2.gz ALTWJFUFQZLORF-UHFFFAOYSA-N 0 3 370.475 2.131 20 5 FEBDHN CC(C)(C)CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000059744658 540865709 /nfs/dbraw/zinc/86/57/09/540865709.db2.gz ORTDJNWYVJADQQ-KRWDZBQOSA-N 0 3 365.474 2.388 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067439609 541464536 /nfs/dbraw/zinc/46/45/36/541464536.db2.gz SQVGWZRVZWRNSY-MGPQQGTHSA-N 0 3 362.430 2.016 20 5 FEBDHN COc1ccc(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000067901703 541527103 /nfs/dbraw/zinc/52/71/03/541527103.db2.gz OIZCVNGWKACIOA-QGZVFWFLSA-N 0 3 371.437 2.435 20 5 FEBDHN C[C@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000068308831 541574506 /nfs/dbraw/zinc/57/45/06/541574506.db2.gz HAERVBBJLIDBFF-CQSZACIVSA-N 0 3 363.414 2.023 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068861427 541634872 /nfs/dbraw/zinc/63/48/72/541634872.db2.gz KALDQPUGGRSXPR-KGLIPLIRSA-N 0 3 365.430 2.219 20 5 FEBDHN CCOc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])cc1OC ZINC000073991954 542022738 /nfs/dbraw/zinc/02/27/38/542022738.db2.gz BMKJXDNNOSXWQQ-OLZOCXBDSA-N 0 3 363.414 2.311 20 5 FEBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCCC2)cc1 ZINC000079076494 542498398 /nfs/dbraw/zinc/49/83/98/542498398.db2.gz AXQSMUSDVFSEPB-CQSZACIVSA-N 0 3 358.402 2.225 20 5 FEBDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081532691 542663157 /nfs/dbraw/zinc/66/31/57/542663157.db2.gz GCIRGDBINDDDCJ-GOSISDBHSA-N 0 3 368.437 2.400 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCCN(C)C1 ZINC000091482602 542810225 /nfs/dbraw/zinc/81/02/25/542810225.db2.gz CEQGXAGYHBJBMN-JTQLQIEISA-N 0 3 352.347 2.043 20 5 FEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108341965 543287184 /nfs/dbraw/zinc/28/71/84/543287184.db2.gz PMGUUJQUDAUIOW-NEPJUHHUSA-N 0 3 355.822 2.474 20 5 FEBDHN O=C1[C@@H](N2CCN(C3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109130781 543315254 /nfs/dbraw/zinc/31/52/54/543315254.db2.gz LXNPCVUHIPGCFM-SFHVURJKSA-N 0 3 358.442 2.260 20 5 FEBDHN CN(C)CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000112916014 543467673 /nfs/dbraw/zinc/46/76/73/543467673.db2.gz VGGGHAWURLYNFU-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112922702 543468729 /nfs/dbraw/zinc/46/87/29/543468729.db2.gz KENVMGSPEMYING-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN CC[C@H]1CCCCN1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113301318 543483287 /nfs/dbraw/zinc/48/32/87/543483287.db2.gz GKQDLXALOKESSC-HNNXBMFYSA-N 0 3 355.460 2.279 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000115441283 543567332 /nfs/dbraw/zinc/56/73/32/543567332.db2.gz IXIPFMYQPWTULQ-CQSZACIVSA-N 0 3 371.441 2.409 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115437171 543567686 /nfs/dbraw/zinc/56/76/86/543567686.db2.gz WEGAUXXWHFHZPH-CQSZACIVSA-N 0 3 357.414 2.194 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000123787410 543782538 /nfs/dbraw/zinc/78/25/38/543782538.db2.gz GZXLSNJULRQZDG-CZUORRHYSA-N 0 3 357.414 2.335 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000124836630 543845679 /nfs/dbraw/zinc/84/56/79/543845679.db2.gz XQGUWSZBQZVXJT-FZMZJTMJSA-N 0 3 363.443 2.203 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000125995909 543912207 /nfs/dbraw/zinc/91/22/07/543912207.db2.gz TZEJDXJYMDECSP-UKRRQHHQSA-N 0 3 357.414 2.111 20 5 FEBDHN Cc1sc(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000125703325 543896932 /nfs/dbraw/zinc/89/69/32/543896932.db2.gz BSEOMSRPCLHFLL-UHFFFAOYSA-N 0 3 361.489 2.363 20 5 FEBDHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313929 544185129 /nfs/dbraw/zinc/18/51/29/544185129.db2.gz QYCMHZNKDAJQPT-CDMKHQONSA-N 0 3 368.821 2.209 20 5 FEBDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896513 544169674 /nfs/dbraw/zinc/16/96/74/544169674.db2.gz DAOPBLHJERRXME-SUZMYJTESA-N 0 3 368.821 2.209 20 5 FEBDHN CC1CCN([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000133758738 544282131 /nfs/dbraw/zinc/28/21/31/544282131.db2.gz KNRSYBJDPFDZQI-KRWDZBQOSA-N 0 3 371.441 2.381 20 5 FEBDHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452648 544347483 /nfs/dbraw/zinc/34/74/83/544347483.db2.gz GOCCZKMUQRWVGK-JKSUJKDBSA-N 0 3 358.398 2.070 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136028058 544365255 /nfs/dbraw/zinc/36/52/55/544365255.db2.gz ROPWFSNBULMBDN-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136548538 544374645 /nfs/dbraw/zinc/37/46/45/544374645.db2.gz KCEMGYQVJMMNBH-BETUJISGSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1C ZINC000152874316 544705519 /nfs/dbraw/zinc/70/55/19/544705519.db2.gz CWPYYBONVCZOQR-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000152918249 544711952 /nfs/dbraw/zinc/71/19/52/544711952.db2.gz KDDJIMQZJFBVFS-KBPBESRZSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182682511 327784742 /nfs/dbraw/zinc/78/47/42/327784742.db2.gz OEBQRUFARHXYRY-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000184320662 327861906 /nfs/dbraw/zinc/86/19/06/327861906.db2.gz QKAHODKEMXEJGJ-CQSZACIVSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184987100 327893475 /nfs/dbraw/zinc/89/34/75/327893475.db2.gz JQLAIAJCBWZMLT-GFCCVEGCSA-N 0 3 359.423 2.147 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c1 ZINC000185850228 327935549 /nfs/dbraw/zinc/93/55/49/327935549.db2.gz HZMGORSENNYCGE-CQSZACIVSA-N 0 3 353.444 2.091 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000189384623 328144737 /nfs/dbraw/zinc/14/47/37/328144737.db2.gz QNZRXYKLUWKHJH-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000190204627 328194149 /nfs/dbraw/zinc/19/41/49/328194149.db2.gz XBIFHGIYYFPQBV-RYUDHWBXSA-N 0 3 350.341 2.063 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190346851 328201662 /nfs/dbraw/zinc/20/16/62/328201662.db2.gz VDTXMRBXDQETLM-HUUCEWRRSA-N 0 3 374.441 2.235 20 5 FEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564122 328429999 /nfs/dbraw/zinc/42/99/99/328429999.db2.gz KUQPVJOWTFXEFV-YGRLFVJLSA-N 0 3 369.219 2.266 20 5 FEBDHN COC(=O)/C=C/c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000076268577 324930269 /nfs/dbraw/zinc/93/02/69/324930269.db2.gz UWJYJSVNBCMHBO-GQCTYLIASA-N 0 3 363.414 2.040 20 5 FEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000237816794 328529753 /nfs/dbraw/zinc/52/97/53/328529753.db2.gz KGMFUZBLELPDSU-CYBMUJFWSA-N 0 3 361.851 2.434 20 5 FEBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410445 325358302 /nfs/dbraw/zinc/35/83/02/325358302.db2.gz YHEJJCBUFWBSKI-TZMCWYRMSA-N 0 3 350.419 2.448 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000090551952 325362515 /nfs/dbraw/zinc/36/25/15/325362515.db2.gz MZCNJYPBOIQTSW-ZFWWWQNUSA-N 0 3 363.439 2.406 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000090551425 325362642 /nfs/dbraw/zinc/36/26/42/325362642.db2.gz OOMWUAUBGVRDDT-GOSISDBHSA-N 0 3 370.453 2.353 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](COCc2ccccc2)C1 ZINC000090550879 325362813 /nfs/dbraw/zinc/36/28/13/325362813.db2.gz OBXAVXZKZURNRW-QGZVFWFLSA-N 0 3 357.410 2.295 20 5 FEBDHN COc1ccccc1COC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000092424505 325415077 /nfs/dbraw/zinc/41/50/77/325415077.db2.gz DZPHGTVOWWHAAS-UHFFFAOYSA-N 0 3 360.414 2.481 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000093818092 325448485 /nfs/dbraw/zinc/44/84/85/325448485.db2.gz UKRRLNIJZGYPKS-ZDUSSCGKSA-N 0 3 371.384 2.350 20 5 FEBDHN CCCc1n[n-]c(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000116982480 326045832 /nfs/dbraw/zinc/04/58/32/326045832.db2.gz HALFNDUARPNDOF-UHFFFAOYSA-N 0 3 372.429 2.373 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000118787538 326102458 /nfs/dbraw/zinc/10/24/58/326102458.db2.gz CEMZEDFYVFYWPT-HNNXBMFYSA-N 0 3 350.419 2.478 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000119395523 326157576 /nfs/dbraw/zinc/15/75/76/326157576.db2.gz VDPGJKHHYPQMGY-UHFFFAOYSA-N 0 3 361.439 2.476 20 5 FEBDHN Cc1c(Br)cc(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000121723247 326361777 /nfs/dbraw/zinc/36/17/77/326361777.db2.gz NEESGUHXPWPMKD-JTQLQIEISA-N 0 3 356.220 2.347 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000122426073 326396559 /nfs/dbraw/zinc/39/65/59/326396559.db2.gz ZEMJDCRQXPOKIC-AAEUAGOBSA-N 0 3 373.862 2.353 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000122881325 326412561 /nfs/dbraw/zinc/41/25/61/326412561.db2.gz ZEXCKJLJVBCDOM-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN CC(=O)c1ccc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)c([N+](=O)[O-])c1 ZINC000129496059 326541492 /nfs/dbraw/zinc/54/14/92/326541492.db2.gz DVZCTWIOVHCCII-INIZCTEOSA-N 0 3 364.446 2.302 20 5 FEBDHN COCCN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130280145 326554107 /nfs/dbraw/zinc/55/41/07/326554107.db2.gz HKQIEERBJDTRFF-UHFFFAOYSA-N 0 3 359.224 2.275 20 5 FEBDHN COCCCN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171124493 327119657 /nfs/dbraw/zinc/11/96/57/327119657.db2.gz GBVLTQLDUCAARV-UHFFFAOYSA-N 0 3 367.471 2.304 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000173284867 327246772 /nfs/dbraw/zinc/24/67/72/327246772.db2.gz YNCXELQACSXUQI-ZBFHGGJFSA-N 0 3 374.441 2.315 20 5 FEBDHN CN(C)Cc1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173686820 327277035 /nfs/dbraw/zinc/27/70/35/327277035.db2.gz QPPBKSYLONIYLE-MRXNPFEDSA-N 0 3 369.425 2.378 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173829655 327287076 /nfs/dbraw/zinc/28/70/76/327287076.db2.gz PAKPJOBDPZFBIK-UKRRQHHQSA-N 0 3 353.444 2.151 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000174737826 327347368 /nfs/dbraw/zinc/34/73/68/327347368.db2.gz AUAKCWKJASEEDQ-SFHVURJKSA-N 0 3 362.405 2.246 20 5 FEBDHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746888 328886241 /nfs/dbraw/zinc/88/62/41/328886241.db2.gz AMQNRHXOHAPYQK-BDAKNGLRSA-N 0 3 367.349 2.032 20 5 FEBDHN O=C(CN1CC[C@H](N2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264554022 329035049 /nfs/dbraw/zinc/03/50/49/329035049.db2.gz DFQHKARMZJWEND-KRWDZBQOSA-N 0 3 358.442 2.044 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264668560 329046525 /nfs/dbraw/zinc/04/65/25/329046525.db2.gz ZYJHYTPFOJCJDS-CYBMUJFWSA-N 0 3 351.378 2.200 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000264721796 329053257 /nfs/dbraw/zinc/05/32/57/329053257.db2.gz HNFUFHGZCZPSNI-UHFFFAOYSA-N 0 3 365.405 2.499 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266386590 329217853 /nfs/dbraw/zinc/21/78/53/329217853.db2.gz NQJLESZTSAXCEQ-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266818015 329262515 /nfs/dbraw/zinc/26/25/15/329262515.db2.gz XIABUWWWCQTWIJ-JSGCOSHPSA-N 0 3 350.419 2.228 20 5 FEBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267037914 329285635 /nfs/dbraw/zinc/28/56/35/329285635.db2.gz VDQSAOSKNYNLHN-CYBMUJFWSA-N 0 3 351.403 2.168 20 5 FEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](N2CC=CC2)C1 ZINC000268100603 329385155 /nfs/dbraw/zinc/38/51/55/329385155.db2.gz DJOPTLBWWNRYPS-AWEZNQCLSA-N 0 3 350.806 2.404 20 5 FEBDHN CCC(CC)(CC(=O)OC)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268443317 329420362 /nfs/dbraw/zinc/42/03/62/329420362.db2.gz GQARQEZYTRQFKS-UHFFFAOYSA-N 0 3 363.414 2.195 20 5 FEBDHN COc1ccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000273630370 329880234 /nfs/dbraw/zinc/88/02/34/329880234.db2.gz QEXUPSCNYRHBHY-JSGCOSHPSA-N 0 3 354.432 2.113 20 5 FEBDHN COc1ccc(CNC(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275564187 330064093 /nfs/dbraw/zinc/06/40/93/330064093.db2.gz FJCPEQIHIBSLPZ-UHFFFAOYSA-N 0 3 350.419 2.229 20 5 FEBDHN COC(=O)c1cnc(NCc2ccc(OCCN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000276537688 330162514 /nfs/dbraw/zinc/16/25/14/330162514.db2.gz IOGAYZQSUQPXOY-UHFFFAOYSA-N 0 3 374.397 2.329 20 5 FEBDHN COc1ccc(NC(=O)CN(C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000156285749 545614588 /nfs/dbraw/zinc/61/45/88/545614588.db2.gz YSCNWRGINLUNEK-UHFFFAOYSA-N 0 3 351.403 2.025 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478495631 561168394 /nfs/dbraw/zinc/16/83/94/561168394.db2.gz XSQAFPFFWBFLMR-UHFFFAOYSA-N 0 3 360.345 2.100 20 5 FEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000160161628 546013969 /nfs/dbraw/zinc/01/39/69/546013969.db2.gz DQWAYXGNLCKUGE-GFCCVEGCSA-N 0 3 361.851 2.434 20 5 FEBDHN NC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000479075374 561181071 /nfs/dbraw/zinc/18/10/71/561181071.db2.gz DCCFXNYCONUDKM-MRXNPFEDSA-N 0 3 372.400 2.125 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177036943 546529077 /nfs/dbraw/zinc/52/90/77/546529077.db2.gz JGVCBHQSYMMFDK-OCCSQVGLSA-N 0 3 355.398 2.136 20 5 FEBDHN CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000480753954 561216058 /nfs/dbraw/zinc/21/60/58/561216058.db2.gz JYQTVZVTNQLZSE-UHFFFAOYSA-N 0 3 359.423 2.134 20 5 FEBDHN C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648938 546826591 /nfs/dbraw/zinc/82/65/91/546826591.db2.gz LNXPWDFXUVZLDP-YOEHRIQHSA-N 0 3 351.472 2.453 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182535985 547509355 /nfs/dbraw/zinc/50/93/55/547509355.db2.gz DGTCULDPFDWCDD-CQSZACIVSA-N 0 3 359.430 2.127 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183439256 547658620 /nfs/dbraw/zinc/65/86/20/547658620.db2.gz MSNUEVJHLZPNCA-GOSISDBHSA-N 0 3 369.421 2.400 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183549307 547679112 /nfs/dbraw/zinc/67/91/12/547679112.db2.gz XHMJWWHWKCPITH-UHFFFAOYSA-N 0 3 359.386 2.252 20 5 FEBDHN O=C(CN[C@H](CCO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183711882 547705393 /nfs/dbraw/zinc/70/53/93/547705393.db2.gz XGFIUXHVNIKJJQ-QGZVFWFLSA-N 0 3 361.442 2.405 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000184350463 547811487 /nfs/dbraw/zinc/81/14/87/547811487.db2.gz YUHMHJSEDGIXDT-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184656624 547861882 /nfs/dbraw/zinc/86/18/82/547861882.db2.gz QZQCYQNHMDTJOP-QLFBSQMISA-N 0 3 369.487 2.381 20 5 FEBDHN CCOc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000485120834 561313099 /nfs/dbraw/zinc/31/30/99/561313099.db2.gz QQGVJUAYKRVVGK-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186338188 548121954 /nfs/dbraw/zinc/12/19/54/548121954.db2.gz WVAMTMURVMGVCE-YKBBIGDRSA-N 0 3 374.485 2.388 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC(C)CC1 ZINC000193947989 548412230 /nfs/dbraw/zinc/41/22/30/548412230.db2.gz DEJVIGLJZAMGQL-UHFFFAOYSA-N 0 3 350.419 2.135 20 5 FEBDHN CSc1cccc(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000486690079 561354464 /nfs/dbraw/zinc/35/44/64/561354464.db2.gz RUNJYBXJNDVULC-OAHLLOKOSA-N 0 3 355.485 2.484 20 5 FEBDHN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000487088227 561363408 /nfs/dbraw/zinc/36/34/08/561363408.db2.gz QNEQEBYNFFRYBY-JSGCOSHPSA-N 0 3 353.854 2.105 20 5 FEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000236709958 548775203 /nfs/dbraw/zinc/77/52/03/548775203.db2.gz LKYUXQUZPOVLOH-INIZCTEOSA-N 0 3 359.430 2.466 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246407610 549126780 /nfs/dbraw/zinc/12/67/80/549126780.db2.gz QOAUUHXPNNTJMN-GUYCJALGSA-N 0 3 365.455 2.232 20 5 FEBDHN CCOC(=O)c1ccnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488724858 561395377 /nfs/dbraw/zinc/39/53/77/561395377.db2.gz ZQCOVAQKPRRWNH-VNHYZAJKSA-N 0 3 362.430 2.333 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000248454780 549442042 /nfs/dbraw/zinc/44/20/42/549442042.db2.gz KMELUXVLZOCLBA-SJLPKXTDSA-N 0 3 372.421 2.316 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000248958609 549532166 /nfs/dbraw/zinc/53/21/66/549532166.db2.gz BVXCYSAEDJQOAO-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000249227591 549570262 /nfs/dbraw/zinc/57/02/62/549570262.db2.gz VDTXMRBXDQETLM-CABCVRRESA-N 0 3 374.441 2.235 20 5 FEBDHN CS[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000490860393 561439297 /nfs/dbraw/zinc/43/92/97/561439297.db2.gz ROROUIMRCZDAST-GJZGRUSLSA-N 0 3 351.472 2.376 20 5 FEBDHN C[C@@H](CC[S@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268455468 550068999 /nfs/dbraw/zinc/06/89/99/550068999.db2.gz XHOITJZUMCDIDK-MCFWBGNESA-N 0 3 350.444 2.242 20 5 FEBDHN COc1cc(CNCCc2cnccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493626149 561457105 /nfs/dbraw/zinc/45/71/05/561457105.db2.gz RATQLMKTGFLOIA-UHFFFAOYSA-N 0 3 368.340 2.370 20 5 FEBDHN C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CCN(C)CC1 ZINC000272969750 550479139 /nfs/dbraw/zinc/47/91/39/550479139.db2.gz OHPHFWUTIWMPEK-HNNXBMFYSA-N 0 3 373.457 2.077 20 5 FEBDHN Cc1ccsc1[C@@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637507 561473032 /nfs/dbraw/zinc/47/30/32/561473032.db2.gz OVLIGOXUULXBQG-DZGCQCFKSA-N 0 3 352.412 2.028 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000277044298 550625480 /nfs/dbraw/zinc/62/54/80/550625480.db2.gz HOSZDURRGSGGLT-HOCLYGCPSA-N 0 3 365.455 2.255 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000279854459 550936127 /nfs/dbraw/zinc/93/61/27/550936127.db2.gz PFCOWLZGQDPSMH-ZUZCIYMTSA-N 0 3 355.797 2.482 20 5 FEBDHN CN(C)CC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000281185146 551071915 /nfs/dbraw/zinc/07/19/15/551071915.db2.gz ZBYXPUWIHBAZPK-UHFFFAOYSA-N 0 3 360.458 2.412 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCN(C)C(C)(C)C1 ZINC000282417314 551225845 /nfs/dbraw/zinc/22/58/45/551225845.db2.gz QOCRBUYVZMOCBE-UHFFFAOYSA-N 0 3 350.463 2.109 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284353768 551531206 /nfs/dbraw/zinc/53/12/06/551531206.db2.gz SHNUVGJQEIEIJX-GFCCVEGCSA-N 0 3 372.429 2.179 20 5 FEBDHN COC(=O)c1cc(C(=O)N(CCN(C)C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000498449536 561524653 /nfs/dbraw/zinc/52/46/53/561524653.db2.gz ASDUZIMXKUWGAV-UHFFFAOYSA-N 0 3 363.414 2.328 20 5 FEBDHN C[C@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284795964 551635854 /nfs/dbraw/zinc/63/58/54/551635854.db2.gz KBRUYYIADZSQEY-WBHUJUFNSA-N 0 3 357.414 2.341 20 5 FEBDHN C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285192556 551718580 /nfs/dbraw/zinc/71/85/80/551718580.db2.gz NTAWYLZKNGPAQF-NSHDSACASA-N 0 3 364.427 2.399 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000499360063 561549494 /nfs/dbraw/zinc/54/94/94/561549494.db2.gz UQAKELFZZXTRHW-UHFFFAOYSA-N 0 3 352.341 2.405 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000288128223 552096234 /nfs/dbraw/zinc/09/62/34/552096234.db2.gz KMXHUZOMBXQMLH-GDBMZVCRSA-N 0 3 374.441 2.235 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000288273125 552123439 /nfs/dbraw/zinc/12/34/39/552123439.db2.gz GYMOUXPHAMKHBU-CHWSQXEVSA-N 0 3 363.414 2.311 20 5 FEBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000288512151 552166598 /nfs/dbraw/zinc/16/65/98/552166598.db2.gz ZZFLXKTXUUHXKN-OAHLLOKOSA-N 0 3 361.402 2.138 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000289280040 552294261 /nfs/dbraw/zinc/29/42/61/552294261.db2.gz ZCIFVQHIIWDHMD-UKRRQHHQSA-N 0 3 374.441 2.235 20 5 FEBDHN CC(C)(CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289480367 552328652 /nfs/dbraw/zinc/32/86/52/552328652.db2.gz JZYOVRGSKJWDKM-UHFFFAOYSA-N 0 3 364.183 2.450 20 5 FEBDHN CC(C)c1ccc(CNCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000500469701 561574126 /nfs/dbraw/zinc/57/41/26/561574126.db2.gz KWKHVNRIEFGQKL-UHFFFAOYSA-N 0 3 352.431 2.366 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931955 561586007 /nfs/dbraw/zinc/58/60/07/561586007.db2.gz WUPZGHAVWXOGSV-GASCZTMLSA-N 0 3 369.487 2.320 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000290582007 552502056 /nfs/dbraw/zinc/50/20/56/552502056.db2.gz URLWBYMFDMANNE-XJKSGUPXSA-N 0 3 374.441 2.181 20 5 FEBDHN C[C@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291191519 552597916 /nfs/dbraw/zinc/59/79/16/552597916.db2.gz STVRBJSFVYINJQ-SWLSCSKDSA-N 0 3 355.398 2.164 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000291425819 552623119 /nfs/dbraw/zinc/62/31/19/552623119.db2.gz YAOUSQDXTWUHPD-UHFFFAOYSA-N 0 3 362.430 2.038 20 5 FEBDHN COCCN(C)CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291703402 552653047 /nfs/dbraw/zinc/65/30/47/552653047.db2.gz URZKOLFBLWLAKK-UHFFFAOYSA-N 0 3 352.435 2.097 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292888680 552768763 /nfs/dbraw/zinc/76/87/63/552768763.db2.gz UUUGHDBVVIGWAV-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295165894 552965358 /nfs/dbraw/zinc/96/53/58/552965358.db2.gz STIGWSZPEUGKTC-LOWQCSRCSA-N 0 3 365.430 2.425 20 5 FEBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000295218725 552970772 /nfs/dbraw/zinc/97/07/72/552970772.db2.gz MXUXYBUVYMDBNN-CVEARBPZSA-N 0 3 363.414 2.269 20 5 FEBDHN C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN(C2CC2)C1 ZINC000295243137 552974935 /nfs/dbraw/zinc/97/49/35/552974935.db2.gz DBPZJKLHTUZWNR-CQSZACIVSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295471623 553012165 /nfs/dbraw/zinc/01/21/65/553012165.db2.gz ZASPDUQWCUZRKU-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCOC1 ZINC000502619234 561622264 /nfs/dbraw/zinc/62/22/64/561622264.db2.gz CGHIKKMYCCHHHP-RWMBFGLXSA-N 0 3 351.403 2.335 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296422016 553157233 /nfs/dbraw/zinc/15/72/33/553157233.db2.gz VRKIHWDUURHPGT-BMGDILEWSA-N 0 3 357.410 2.031 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCN(c3ccnc4ccccc43)CC2)n1 ZINC000297345353 553281063 /nfs/dbraw/zinc/28/10/63/553281063.db2.gz DULXKPRMYHFHSC-UHFFFAOYSA-N 0 3 352.398 2.162 20 5 FEBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000297463791 553295897 /nfs/dbraw/zinc/29/58/97/553295897.db2.gz NFEDKFFJCWCBHD-GFCCVEGCSA-N 0 3 356.810 2.217 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000299730186 553608826 /nfs/dbraw/zinc/60/88/26/553608826.db2.gz WQYGJMGVWAPHSQ-KGLIPLIRSA-N 0 3 362.430 2.091 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523672 553658122 /nfs/dbraw/zinc/65/81/22/553658122.db2.gz GUFHHHZKJGIMTA-DZGCQCFKSA-N 0 3 371.441 2.336 20 5 FEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1CC(C)(C)O ZINC000302522715 553720222 /nfs/dbraw/zinc/72/02/22/553720222.db2.gz YLTMHASQWRYAKK-NSHDSACASA-N 0 3 359.373 2.478 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CN2CCCC2)CC1 ZINC000302607071 553723057 /nfs/dbraw/zinc/72/30/57/553723057.db2.gz DHKCWAJRWIKQCU-UHFFFAOYSA-N 0 3 367.471 2.311 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000302800558 553733439 /nfs/dbraw/zinc/73/34/39/553733439.db2.gz CBHWOULOYDEAGZ-OAHLLOKOSA-N 0 3 366.849 2.299 20 5 FEBDHN CCOC(=O)C1CCC(O)(CNCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000327777155 553791439 /nfs/dbraw/zinc/79/14/39/553791439.db2.gz NRGUFTYBURMSOX-UHFFFAOYSA-N 0 3 350.415 2.477 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000330665130 554153582 /nfs/dbraw/zinc/15/35/82/554153582.db2.gz VFBXDKVMUZGPGL-ZIAGYGMSSA-N 0 3 357.863 2.295 20 5 FEBDHN CS[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000330902700 554185482 /nfs/dbraw/zinc/18/54/82/554185482.db2.gz XVMYHMOMBTWPNC-WKPIXPDZSA-N 0 3 355.435 2.341 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332075835 554374560 /nfs/dbraw/zinc/37/45/60/554374560.db2.gz FYOSERRNAMHHPK-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081029 554376022 /nfs/dbraw/zinc/37/60/22/554376022.db2.gz LAVNPDNHABXLIH-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000332091775 554378752 /nfs/dbraw/zinc/37/87/52/554378752.db2.gz VVGJFHZTCWEVPU-HOCLYGCPSA-N 0 3 367.471 2.459 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592785 554478790 /nfs/dbraw/zinc/47/87/90/554478790.db2.gz NYLYZRINDQYGQD-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000511314452 561864788 /nfs/dbraw/zinc/86/47/88/561864788.db2.gz NMIIMGRYMRMUAF-ZDUSSCGKSA-N 0 3 369.425 2.376 20 5 FEBDHN CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023439 554860456 /nfs/dbraw/zinc/86/04/56/554860456.db2.gz RORQPOSBLPDZBF-MEDUHNTESA-N 0 3 366.805 2.058 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362080672 554948642 /nfs/dbraw/zinc/94/86/42/554948642.db2.gz SZWXFCDVFWVRHJ-QAPCUYQASA-N 0 3 362.474 2.061 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](N2CCCC2)C1 ZINC000363193839 555050551 /nfs/dbraw/zinc/05/05/51/555050551.db2.gz ZVZFWUBCDAMSPT-ZFWWWQNUSA-N 0 3 362.430 2.101 20 5 FEBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363219412 555056270 /nfs/dbraw/zinc/05/62/70/555056270.db2.gz RPLSUGIGXCDKRD-CQSZACIVSA-N 0 3 366.849 2.100 20 5 FEBDHN C[C@@H]1OCC[C@@]12CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929036 555216052 /nfs/dbraw/zinc/21/60/52/555216052.db2.gz UQUUNPNGGRAEJF-QWQRMKEZSA-N 0 3 363.414 2.192 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000364038881 555237882 /nfs/dbraw/zinc/23/78/82/555237882.db2.gz OHMZMQXTQXIHJR-QWRGUYRKSA-N 0 3 369.805 2.310 20 5 FEBDHN Cc1c(NC(=O)N2CCC[C@H]2CN2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000364145331 555258415 /nfs/dbraw/zinc/25/84/15/555258415.db2.gz XJFGEWUUJKRESU-GJZGRUSLSA-N 0 3 362.430 2.356 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000364195072 555267443 /nfs/dbraw/zinc/26/74/43/555267443.db2.gz BDKVFEPCLSHYFL-HZPDHXFCSA-N 0 3 359.357 2.309 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556828 555337805 /nfs/dbraw/zinc/33/78/05/555337805.db2.gz KQFYUJUJCZEKQU-INWMFGNUSA-N 0 3 365.405 2.353 20 5 FEBDHN COC(=O)[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000364765599 555396389 /nfs/dbraw/zinc/39/63/89/555396389.db2.gz XVWDGIGZCRRMLG-CQSZACIVSA-N 0 3 363.414 2.363 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000365483170 555587958 /nfs/dbraw/zinc/58/79/58/555587958.db2.gz MMJMKRRHIVKPNE-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN COc1ccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2)cc1[N+](=O)[O-] ZINC000365534752 555601998 /nfs/dbraw/zinc/60/19/98/555601998.db2.gz OTNHDHDVIDBYCH-OAHLLOKOSA-N 0 3 359.430 2.404 20 5 FEBDHN COCCCN1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000365827904 555676430 /nfs/dbraw/zinc/67/64/30/555676430.db2.gz SGHPKOKZAFKAHQ-UHFFFAOYSA-N 0 3 352.391 2.047 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000366697765 555911952 /nfs/dbraw/zinc/91/19/52/555911952.db2.gz RBPWVELKRWFQBO-GASCZTMLSA-N 0 3 357.414 2.104 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243057 561965347 /nfs/dbraw/zinc/96/53/47/561965347.db2.gz XFQCFCGKAQGXDW-WXHSDQCUSA-N 0 3 351.403 2.408 20 5 FEBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000367783117 556138010 /nfs/dbraw/zinc/13/80/10/556138010.db2.gz KMFBCNXWTLEUOG-HNNXBMFYSA-N 0 3 355.398 2.150 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368235857 556255415 /nfs/dbraw/zinc/25/54/15/556255415.db2.gz QYUCPARWYKUBRR-NVXWUHKLSA-N 0 3 350.415 2.083 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000515216820 562001309 /nfs/dbraw/zinc/00/13/09/562001309.db2.gz PMPBCRTVMBUXRQ-KBPBESRZSA-N 0 3 355.460 2.277 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000368680160 556383882 /nfs/dbraw/zinc/38/38/82/556383882.db2.gz JPPZFHAEMKSODM-UHFFFAOYSA-N 0 3 357.414 2.391 20 5 FEBDHN COc1ccc2cc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000515637079 562017898 /nfs/dbraw/zinc/01/78/98/562017898.db2.gz BYCDLNKUIUYDOU-KRWDZBQOSA-N 0 3 356.382 2.104 20 5 FEBDHN COc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000515756279 562021215 /nfs/dbraw/zinc/02/12/15/562021215.db2.gz VDHDTJZTIDYHQI-CYBMUJFWSA-N 0 3 371.459 2.004 20 5 FEBDHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758127 562021278 /nfs/dbraw/zinc/02/12/78/562021278.db2.gz BMQKLKLNPKQYQD-STQMWFEESA-N 0 3 373.450 2.380 20 5 FEBDHN O=C(NCc1ccccc1[N+](=O)[O-])c1cnn(CCN2CCCCC2)c1 ZINC000369317831 556573589 /nfs/dbraw/zinc/57/35/89/556573589.db2.gz PZXSBXNFTHCUND-UHFFFAOYSA-N 0 3 357.414 2.207 20 5 FEBDHN Cc1cc(C2=CCN(CCCN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000369905951 556726493 /nfs/dbraw/zinc/72/64/93/556726493.db2.gz JJXKHWGEOQPXSZ-UHFFFAOYSA-N 0 3 360.458 2.297 20 5 FEBDHN COc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516377 562045686 /nfs/dbraw/zinc/04/56/86/562045686.db2.gz BYXGZDMNUJWVIU-UONOGXRCSA-N 0 3 361.402 2.477 20 5 FEBDHN Cc1cc(C2=CCN(CCN3CCO[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1N ZINC000370587238 556915240 /nfs/dbraw/zinc/91/52/40/556915240.db2.gz DFJFHMLOGHJFPO-HNNXBMFYSA-N 0 3 360.458 2.295 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CCOC2=O)CC1 ZINC000371158161 557091960 /nfs/dbraw/zinc/09/19/60/557091960.db2.gz QQTREAXNVJZQKH-UHFFFAOYSA-N 0 3 361.398 2.261 20 5 FEBDHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000517652587 562094758 /nfs/dbraw/zinc/09/47/58/562094758.db2.gz JMFQBAKHVPOXEQ-UHFFFAOYSA-N 0 3 359.361 2.133 20 5 FEBDHN CN1CCN(c2ccncc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000517652587 562094759 /nfs/dbraw/zinc/09/47/59/562094759.db2.gz JMFQBAKHVPOXEQ-UHFFFAOYSA-N 0 3 359.361 2.133 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1Cn1cccn1 ZINC000371689969 557263452 /nfs/dbraw/zinc/26/34/52/557263452.db2.gz UOJSFTWNJGZLEI-HOTGVXAUSA-N 0 3 360.414 2.086 20 5 FEBDHN COc1cc(CNCC2(O)Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000371700568 557268411 /nfs/dbraw/zinc/26/84/11/557268411.db2.gz GNJDOTZFDYCDPG-UHFFFAOYSA-N 0 3 358.394 2.232 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000371902589 557325582 /nfs/dbraw/zinc/32/55/82/557325582.db2.gz WWFPXBGQWIQJMR-LBPRGKRZSA-N 0 3 373.862 2.415 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2N(C)C)c1[N+](=O)[O-] ZINC000373061760 557619253 /nfs/dbraw/zinc/61/92/53/557619253.db2.gz YCSOQBUQKIUFHZ-GJZGRUSLSA-N 0 3 357.414 2.228 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000373172768 557643123 /nfs/dbraw/zinc/64/31/23/557643123.db2.gz KROKIEXAUXODEY-CYBMUJFWSA-N 0 3 363.395 2.202 20 5 FEBDHN CN1C(=O)N[C@]2(CCC[C@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281156 557664712 /nfs/dbraw/zinc/66/47/12/557664712.db2.gz ONQFPZHENBSXOJ-ZBEGNZNMSA-N 0 3 366.805 2.058 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467739 557699157 /nfs/dbraw/zinc/69/91/57/557699157.db2.gz UVEXSICZWHJXIF-LSDHHAIUSA-N 0 3 366.466 2.114 20 5 FEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@H](O)COCc3ccccc3)C2)c1 ZINC000373583192 557722840 /nfs/dbraw/zinc/72/28/40/557722840.db2.gz IVYDSNRMVXMBDA-AEFFLSMTSA-N 0 3 360.414 2.006 20 5 FEBDHN COCCN(C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000520463445 562157069 /nfs/dbraw/zinc/15/70/69/562157069.db2.gz LHJZTWMKTNLZBD-QGZVFWFLSA-N 0 3 374.441 2.373 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000373757804 557752693 /nfs/dbraw/zinc/75/26/93/557752693.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 0 3 362.474 2.204 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000521032273 562168043 /nfs/dbraw/zinc/16/80/43/562168043.db2.gz BQVDGNXBNFYARE-JFIYKMOQSA-N 0 3 363.414 2.240 20 5 FEBDHN COc1cc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255143 557851868 /nfs/dbraw/zinc/85/18/68/557851868.db2.gz IOHZQPBPRKVNGC-ZDUSSCGKSA-N 0 3 366.437 2.347 20 5 FEBDHN O=C1[C@@H](N2CC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366434 557872830 /nfs/dbraw/zinc/87/28/30/557872830.db2.gz NUBWWCLGPASVNM-YJBOKZPZSA-N 0 3 359.426 2.449 20 5 FEBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000374372899 557873712 /nfs/dbraw/zinc/87/37/12/557873712.db2.gz GBRZZHKPRHRRAY-NWDGAFQWSA-N 0 3 352.366 2.027 20 5 FEBDHN COc1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609940 557906335 /nfs/dbraw/zinc/90/63/35/557906335.db2.gz HCQMKZQUFXNEIG-DLBZAZTESA-N 0 3 360.414 2.306 20 5 FEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C1CCN(C)CC1 ZINC000374914864 557950568 /nfs/dbraw/zinc/95/05/68/557950568.db2.gz OAPBZGVSURBYAZ-AWEZNQCLSA-N 0 3 350.438 2.334 20 5 FEBDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598424 558054829 /nfs/dbraw/zinc/05/48/29/558054829.db2.gz NGNDAQNEBNHWJF-INWMFGNUSA-N 0 3 360.414 2.042 20 5 FEBDHN CCCN(C)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000521648134 562181136 /nfs/dbraw/zinc/18/11/36/562181136.db2.gz MSXJISAHMQJTBE-UHFFFAOYSA-N 0 3 362.352 2.484 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000376212201 558142101 /nfs/dbraw/zinc/14/21/01/558142101.db2.gz SGJPCLDEMMKBJQ-QAPCUYQASA-N 0 3 362.474 2.203 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-n4cncn4)cc3)CC2)n1 ZINC000376650238 558203059 /nfs/dbraw/zinc/20/30/59/558203059.db2.gz DXWVGUXZTWFWFL-UHFFFAOYSA-N 0 3 353.386 2.209 20 5 FEBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000377078845 558261722 /nfs/dbraw/zinc/26/17/22/558261722.db2.gz QGIAOSQOIPUYGO-INIZCTEOSA-N 0 3 357.366 2.419 20 5 FEBDHN Cc1nn(CCC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303263 558524830 /nfs/dbraw/zinc/52/48/30/558524830.db2.gz CIPSJWACQMXROL-DLBZAZTESA-N 0 3 371.441 2.012 20 5 FEBDHN Cc1sc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000523390747 562212314 /nfs/dbraw/zinc/21/23/14/562212314.db2.gz IXJDDTCOCZCBGL-UHFFFAOYSA-N 0 3 371.459 2.310 20 5 FEBDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc(C)c([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000378347087 558534782 /nfs/dbraw/zinc/53/47/82/558534782.db2.gz BXWPJCFAPNRIIW-HOTGVXAUSA-N 0 3 371.441 2.412 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524780774 562234583 /nfs/dbraw/zinc/23/45/83/562234583.db2.gz NAAUPNAYQNUFEF-DZGCQCFKSA-N 0 3 350.419 2.098 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410724625 558803423 /nfs/dbraw/zinc/80/34/23/558803423.db2.gz WSNZTJBMVXXJQV-RKDXNWHRSA-N 0 3 363.340 2.176 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000525103984 562240548 /nfs/dbraw/zinc/24/05/48/562240548.db2.gz VUJCBVWOPVXTBC-NEPJUHHUSA-N 0 3 351.403 2.215 20 5 FEBDHN CCOc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105002 562240563 /nfs/dbraw/zinc/24/05/63/562240563.db2.gz VCHAPVNQXXSJQC-VXGBXAGGSA-N 0 3 351.403 2.215 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000411659160 558937693 /nfs/dbraw/zinc/93/76/93/558937693.db2.gz YDQXWQVSHCUYLC-BBRMVZONSA-N 0 3 351.403 2.049 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1N(C)C ZINC000412218619 559020828 /nfs/dbraw/zinc/02/08/28/559020828.db2.gz RXVOKCSCBGCUKI-GOEBONIOSA-N 0 3 367.471 2.500 20 5 FEBDHN CC(C)[C@H]1N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159988 559150977 /nfs/dbraw/zinc/15/09/77/559150977.db2.gz XIDMEYPSFWCPHW-CRAIPNDOSA-N 0 3 364.442 2.472 20 5 FEBDHN COCCNC(=O)C1(N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187010 559152215 /nfs/dbraw/zinc/15/22/15/559152215.db2.gz PVMCLYKGNXMLMR-GDBMZVCRSA-N 0 3 361.442 2.191 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000414307468 559155662 /nfs/dbraw/zinc/15/56/62/559155662.db2.gz UTHPHPMUGKYLAO-YVLXSGLVSA-N 0 3 357.357 2.450 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416664181 559328536 /nfs/dbraw/zinc/32/85/36/559328536.db2.gz RYPGZMJAYAZKHR-UHFFFAOYSA-N 0 3 355.460 2.231 20 5 FEBDHN Cc1cc(N2C[C@H](C)N(CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001118 559425081 /nfs/dbraw/zinc/42/50/81/559425081.db2.gz LHNHHSKGJLVVFA-GJZGRUSLSA-N 0 3 371.441 2.252 20 5 FEBDHN NCc1cn([C@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368478 559483519 /nfs/dbraw/zinc/48/35/19/559483519.db2.gz ATFXIJDVZHKZFZ-AWEZNQCLSA-N 0 3 350.810 2.136 20 5 FEBDHN N[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420387134 559484627 /nfs/dbraw/zinc/48/46/27/559484627.db2.gz JQBIKZOUGOTTBP-LSDHHAIUSA-N 0 3 358.373 2.099 20 5 FEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420404138 559485993 /nfs/dbraw/zinc/48/59/93/559485993.db2.gz OBEKTAKAJCISFK-ULFGMLNVSA-N 0 3 372.400 2.488 20 5 FEBDHN CCc1ccc([C@H](NC[C@@H]2CNCCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519625 559631056 /nfs/dbraw/zinc/63/10/56/559631056.db2.gz PMDXNBKWEJIREV-QFBILLFUSA-N 0 3 358.442 2.333 20 5 FEBDHN COc1cc(CN2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000425359827 559698181 /nfs/dbraw/zinc/69/81/81/559698181.db2.gz TUFZDLIMBDGJRI-VIFPVBQESA-N 0 3 369.328 2.312 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471898 559704177 /nfs/dbraw/zinc/70/41/77/559704177.db2.gz HRWVNMASAPVVEY-KRWDZBQOSA-N 0 3 364.446 2.204 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026759 559789171 /nfs/dbraw/zinc/78/91/71/559789171.db2.gz AATDBSVGTXXMFX-RGCFKVTRSA-N 0 3 372.469 2.362 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429309962 559795466 /nfs/dbraw/zinc/79/54/66/559795466.db2.gz SPORHNFNIBLMRV-LBPRGKRZSA-N 0 3 357.366 2.005 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@@]3(O)CCO[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206100 559873712 /nfs/dbraw/zinc/87/37/12/559873712.db2.gz GMVWKRGOLYEFEH-SGTLLEGYSA-N 0 3 362.382 2.493 20 5 FEBDHN Cc1cc(OCC(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801728 559930422 /nfs/dbraw/zinc/93/04/22/559930422.db2.gz UYQNHMOIYDQBOP-MSOLQXFVSA-N 0 3 369.421 2.496 20 5 FEBDHN CN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445995159 560138010 /nfs/dbraw/zinc/13/80/10/560138010.db2.gz YGWFJTXIBBNHFE-LBPRGKRZSA-N 0 3 356.220 2.110 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318429 560144211 /nfs/dbraw/zinc/14/42/11/560144211.db2.gz BVUXIVKRBFURRF-FRQCXROJSA-N 0 3 359.426 2.012 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000446321470 560144297 /nfs/dbraw/zinc/14/42/97/560144297.db2.gz PNDYERQTNYXAKW-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN COc1cc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508779 560232116 /nfs/dbraw/zinc/23/21/16/560232116.db2.gz NRFGAQKMLHKAQP-KSSFIOAISA-N 0 3 350.415 2.499 20 5 FEBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000450788022 560273445 /nfs/dbraw/zinc/27/34/45/560273445.db2.gz SKERDPSBQJHGIH-UHFFFAOYSA-N 0 3 369.425 2.447 20 5 FEBDHN CCO[C@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475614 560309293 /nfs/dbraw/zinc/30/92/93/560309293.db2.gz CLWSAJFIXHVAFF-SJORKVTESA-N 0 3 359.426 2.421 20 5 FEBDHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451589792 560316203 /nfs/dbraw/zinc/31/62/03/560316203.db2.gz WLITXVWUKAVABA-OWCLPIDISA-N 0 3 361.398 2.022 20 5 FEBDHN CC(C)[C@@H](CO)[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000451602840 560316829 /nfs/dbraw/zinc/31/68/29/560316829.db2.gz WDAWCUGILKQBSM-VQIMIIECSA-N 0 3 363.458 2.363 20 5 FEBDHN CC1(C)C[C@H](O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451804110 560329646 /nfs/dbraw/zinc/32/96/46/560329646.db2.gz APSUSVANBBOXRX-CQSZACIVSA-N 0 3 363.414 2.376 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN(C2CC2)C1 ZINC000452176803 560354692 /nfs/dbraw/zinc/35/46/92/560354692.db2.gz VYFRIHDOVGPRTN-LBPRGKRZSA-N 0 3 370.409 2.405 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452355159 560359694 /nfs/dbraw/zinc/35/96/94/560359694.db2.gz XBDCYQMGNAWPCO-DZGCQCFKSA-N 0 3 367.471 2.038 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452730073 560372433 /nfs/dbraw/zinc/37/24/33/560372433.db2.gz LNOUMIDAVWUKKS-UHFFFAOYSA-N 0 3 371.441 2.271 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453258003 560384783 /nfs/dbraw/zinc/38/47/83/560384783.db2.gz HLAZRFJHONBKCV-ZBFHGGJFSA-N 0 3 351.447 2.491 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273277 560385083 /nfs/dbraw/zinc/38/50/83/560385083.db2.gz VOVSCFCLZKNKDG-GDBMZVCRSA-N 0 3 351.447 2.491 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCCN1CCO ZINC000454929733 560463813 /nfs/dbraw/zinc/46/38/13/560463813.db2.gz QRQIJAYCRBUXET-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000457070025 560546764 /nfs/dbraw/zinc/54/67/64/560546764.db2.gz GEDAXHUEDKKOCR-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN CC[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514708 560628875 /nfs/dbraw/zinc/62/88/75/560628875.db2.gz RLIWCSKMIAYFGW-NVXWUHKLSA-N 0 3 364.446 2.192 20 5 FEBDHN CCOc1ccc(NC(=O)CN2[C@H](C)CN(CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000459454316 560687330 /nfs/dbraw/zinc/68/73/30/560687330.db2.gz DBBFBXLNULFXEN-OKILXGFUSA-N 0 3 364.446 2.347 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797651 560708844 /nfs/dbraw/zinc/70/88/44/560708844.db2.gz SGFYOZHJIMVHDD-XYJFISCASA-N 0 3 364.442 2.208 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](n2cccn2)C1 ZINC000463451836 560815407 /nfs/dbraw/zinc/81/54/07/560815407.db2.gz QOFYOPCRPHSCLB-CQSZACIVSA-N 0 3 357.370 2.036 20 5 FEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466017121 560877929 /nfs/dbraw/zinc/87/79/29/560877929.db2.gz CMLIKXCSJCJPEW-CQSZACIVSA-N 0 3 374.441 2.384 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000469163254 560948775 /nfs/dbraw/zinc/94/87/75/560948775.db2.gz IEHCNACNZXFLCH-CHWSQXEVSA-N 0 3 371.459 2.097 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccsc1 ZINC000473173838 561043414 /nfs/dbraw/zinc/04/34/14/561043414.db2.gz VQGAJPPQVJFEJI-CQSZACIVSA-N 0 3 365.411 2.317 20 5 FEBDHN COC(=O)COc1ccc(CNCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000474345583 561071910 /nfs/dbraw/zinc/07/19/10/561071910.db2.gz OAILGMFJQNWTAM-CQSZACIVSA-N 0 3 365.430 2.111 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000474358005 561072051 /nfs/dbraw/zinc/07/20/51/561072051.db2.gz VZJNNGDEHLIQLW-FUHWJXTLSA-N 0 3 366.414 2.177 20 5 FEBDHN COc1ccc(CSCC(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000474568649 561076983 /nfs/dbraw/zinc/07/69/83/561076983.db2.gz RCKODARSMFBYGQ-UHFFFAOYSA-N 0 3 367.471 2.389 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccsc1 ZINC000476085331 561110981 /nfs/dbraw/zinc/11/09/81/561110981.db2.gz RDPNYQIBRPQSRP-ZDUSSCGKSA-N 0 3 351.432 2.203 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247926 562528464 /nfs/dbraw/zinc/52/84/64/562528464.db2.gz GCMUMAGDXOMQET-AWEZNQCLSA-N 0 3 373.457 2.080 20 5 FEBDHN C[C@H]1CCCC[C@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375708 562610734 /nfs/dbraw/zinc/61/07/34/562610734.db2.gz WTTVDTJGOBATME-KBPBESRZSA-N 0 3 355.460 2.289 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2c(F)cccc2F)c1 ZINC000570179149 568459503 /nfs/dbraw/zinc/45/95/03/568459503.db2.gz WUVCUOAUKRIVCO-CYBMUJFWSA-N 0 3 352.337 2.445 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629596 607472540 /nfs/dbraw/zinc/47/25/40/607472540.db2.gz BEHORQWAKYRJBQ-ZFWWWQNUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823629596 607472542 /nfs/dbraw/zinc/47/25/42/607472542.db2.gz BEHORQWAKYRJBQ-ZFWWWQNUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629596 607472544 /nfs/dbraw/zinc/47/25/44/607472544.db2.gz BEHORQWAKYRJBQ-ZFWWWQNUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823629596 607472546 /nfs/dbraw/zinc/47/25/46/607472546.db2.gz BEHORQWAKYRJBQ-ZFWWWQNUSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](CO)CC2CCCC2)cc1 ZINC000566232630 675196982 /nfs/dbraw/zinc/19/69/82/675196982.db2.gz RPKOADOZLAGPEI-HNNXBMFYSA-N 0 3 370.471 2.147 20 5 FEBDHN COC1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809918428 674519615 /nfs/dbraw/zinc/51/96/15/674519615.db2.gz IFJHEEMVSQXOIF-UHFFFAOYSA-N 0 3 356.810 2.481 20 5 FEBDHN CC(COC(=O)c1cn(-c2ccc(Br)cc2)cn1)[N+](=O)[O-] ZINC000813114538 674721447 /nfs/dbraw/zinc/72/14/47/674721447.db2.gz SMVBDQMICLYXKT-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000813108950 674720654 /nfs/dbraw/zinc/72/06/54/674720654.db2.gz CPHPOOTZLHKDJK-DZGCQCFKSA-N 0 3 350.371 2.386 20 5 FEBDHN CC(COC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N+](=O)[O-] ZINC000813113107 674720876 /nfs/dbraw/zinc/72/08/76/674720876.db2.gz AZRAICRWHAPYHH-SECBINFHSA-N 0 3 354.160 2.457 20 5 FEBDHN CC(COC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N+](=O)[O-] ZINC000813113108 674721046 /nfs/dbraw/zinc/72/10/46/674721046.db2.gz AZRAICRWHAPYHH-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C/C(Cl)=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001048525555 675008973 /nfs/dbraw/zinc/00/89/73/675008973.db2.gz XSGYLMYJMZBNKK-GRLZYVPYSA-N 0 3 362.257 2.330 20 5 FEBDHN COc1cc(OCC(=O)N(CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000609187680 675913424 /nfs/dbraw/zinc/91/34/24/675913424.db2.gz GRJYTYXBIMPMTF-UHFFFAOYSA-N 0 3 353.419 2.028 20 5 FEBDHN CCc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000580186478 671788769 /nfs/dbraw/zinc/78/87/69/671788769.db2.gz WBAZOLSRGLKTQE-AWEZNQCLSA-N 0 3 367.471 2.452 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610135190 675956294 /nfs/dbraw/zinc/95/62/94/675956294.db2.gz MEDREMDZTAJSRN-NWDGAFQWSA-N 0 3 359.423 2.227 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCCC1 ZINC000176056142 672372480 /nfs/dbraw/zinc/37/24/80/672372480.db2.gz LWNHVUPELPCSMQ-UHFFFAOYSA-N 0 3 359.423 2.197 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589236427 672516251 /nfs/dbraw/zinc/51/62/51/672516251.db2.gz MCWNAGXGRUFOTN-GFCCVEGCSA-N 0 3 359.448 2.002 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1SC ZINC000590445427 672583324 /nfs/dbraw/zinc/58/33/24/672583324.db2.gz LWHLAYJGNFOGCJ-MFKMUULPSA-N 0 3 351.428 2.101 20 5 FEBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462576531 673264994 /nfs/dbraw/zinc/26/49/94/673264994.db2.gz UNJIADJTUQIKKR-HNNXBMFYSA-N 0 3 367.471 2.446 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000597100209 673447752 /nfs/dbraw/zinc/44/77/52/673447752.db2.gz GPMFHBSUUZPTJV-ZANVPECISA-N 0 3 353.810 2.388 20 5 FEBDHN CS[C@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000539523874 673494570 /nfs/dbraw/zinc/49/45/70/673494570.db2.gz HIQFOXGNJNRODF-HOCLYGCPSA-N 0 3 367.471 2.176 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000540476414 673541532 /nfs/dbraw/zinc/54/15/32/673541532.db2.gz NMGHOXRSDQXYMF-AIANPOQGSA-N 0 3 351.447 2.024 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632063 673699724 /nfs/dbraw/zinc/69/97/24/673699724.db2.gz TXXVWDHIHCMLMK-OKXMYEFYSA-N 0 3 365.455 2.217 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000544660600 673724015 /nfs/dbraw/zinc/72/40/15/673724015.db2.gz JWFGYLOWDBYRLB-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN COc1cc(CN[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000601139836 673828237 /nfs/dbraw/zinc/82/82/37/673828237.db2.gz LJEMCDDYIQQTJK-JGZJWPJOSA-N 0 3 364.320 2.405 20 5 FEBDHN Cc1c(CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819262358 675275021 /nfs/dbraw/zinc/27/50/21/675275021.db2.gz UWHSQRZABQYEBQ-AWEZNQCLSA-N 0 3 353.419 2.221 20 5 FEBDHN Cc1ccc(Br)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000567694588 675313578 /nfs/dbraw/zinc/31/35/78/675313578.db2.gz XRVXTPLEWCWWPW-CYBMUJFWSA-N 0 3 369.219 2.013 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)CCN1CCCC1 ZINC000823092623 675528929 /nfs/dbraw/zinc/52/89/29/675528929.db2.gz YQLKKWQQYQTLAU-UHFFFAOYSA-N 0 3 368.821 2.374 20 5 FEBDHN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000839493632 680756686 /nfs/dbraw/zinc/75/66/86/680756686.db2.gz ZBUMRROETUHREK-ZDUSSCGKSA-N 0 3 352.822 2.355 20 5 FEBDHN NCc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100398 680863280 /nfs/dbraw/zinc/86/32/80/680863280.db2.gz XNXUVXJGQCRZJH-ZDUSSCGKSA-N 0 3 350.810 2.136 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000747960340 679916361 /nfs/dbraw/zinc/91/63/61/679916361.db2.gz ZLXRISGXCZLFNL-CYBMUJFWSA-N 0 3 353.423 2.028 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000832690410 680165876 /nfs/dbraw/zinc/16/58/76/680165876.db2.gz GESOGFFYGIWWGA-BXKDBHETSA-N 0 3 354.204 2.133 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CCO)c1cccs1 ZINC000754391963 680354042 /nfs/dbraw/zinc/35/40/42/680354042.db2.gz YXUZQCNKQHWXQR-QWHCGFSZSA-N 0 3 352.412 2.109 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767462279 680912778 /nfs/dbraw/zinc/91/27/78/680912778.db2.gz PNYPLSPXAXKOEL-MRXNPFEDSA-N 0 3 366.849 2.162 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852715 680961640 /nfs/dbraw/zinc/96/16/40/680961640.db2.gz JEUAZRKCWZRDRR-TUAOUCFPSA-N 0 3 361.489 2.301 20 5 FEBDHN C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000771505120 681057502 /nfs/dbraw/zinc/05/75/02/681057502.db2.gz WPXAKRWYJSPSJV-NSHDSACASA-N 0 3 363.443 2.450 20 5 FEBDHN CN(CCO)CCN(C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000912600504 685404911 /nfs/dbraw/zinc/40/49/11/685404911.db2.gz VMPZFDKCCGQDMS-UHFFFAOYSA-N 0 3 368.192 2.037 20 5 FEBDHN O=C1CC[C@H](N2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000845562862 681137621 /nfs/dbraw/zinc/13/76/21/681137621.db2.gz YGZWTCFCDBUCIQ-NSHDSACASA-N 0 3 370.812 2.178 20 5 FEBDHN COCc1nn(C)cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880073 681159127 /nfs/dbraw/zinc/15/91/27/681159127.db2.gz KSCRNUGFZNARHU-BONVTDFDSA-N 0 3 351.334 2.269 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Cc2nccs2)C1 ZINC000934334830 681553271 /nfs/dbraw/zinc/55/32/71/681553271.db2.gz XLAAOOFNVGWABG-KBPBESRZSA-N 0 3 363.439 2.356 20 5 FEBDHN O=C(CCN[C@H](CO)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543141 682055951 /nfs/dbraw/zinc/05/59/51/682055951.db2.gz CLUPGNBCEQDENU-CQSZACIVSA-N 0 3 353.375 2.447 20 5 FEBDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852321192 682260128 /nfs/dbraw/zinc/26/01/28/682260128.db2.gz JUJLXRSVEAYOCH-AWEZNQCLSA-N 0 3 371.821 2.218 20 5 FEBDHN CN1CCN(CCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723183 682798200 /nfs/dbraw/zinc/79/82/00/682798200.db2.gz XRMUBFXMARDMJJ-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859356408 683092378 /nfs/dbraw/zinc/09/23/78/683092378.db2.gz XXRRSLAQOWOJCD-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860917570 683316118 /nfs/dbraw/zinc/31/61/18/683316118.db2.gz NXIZJZURDRQFIB-UHFFFAOYSA-N 0 3 368.865 2.394 20 5 FEBDHN CN1CCN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000920456877 683342944 /nfs/dbraw/zinc/34/29/44/683342944.db2.gz FAFMPLUQRLCEIX-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928446104 683453341 /nfs/dbraw/zinc/45/33/41/683453341.db2.gz VDHVHERKRCQDQE-SMDDNHRTSA-N 0 3 353.444 2.156 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccsc1 ZINC000930218402 683695195 /nfs/dbraw/zinc/69/51/95/683695195.db2.gz MQINNUOGEDOJGX-AWEZNQCLSA-N 0 3 365.459 2.361 20 5 FEBDHN CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000869240362 684596518 /nfs/dbraw/zinc/59/65/18/684596518.db2.gz ZPLVZNSRGZRQBM-LBPRGKRZSA-N 0 3 370.247 2.452 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877740126 686447602 /nfs/dbraw/zinc/44/76/02/686447602.db2.gz VBNKRGVPXDOVQF-KGLIPLIRSA-N 0 3 366.439 2.332 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882769602 687481713 /nfs/dbraw/zinc/48/17/13/687481713.db2.gz DTRIPKFSSPXRFY-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN NC(=O)C1(N2CCCCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000882816320 687501370 /nfs/dbraw/zinc/50/13/70/687501370.db2.gz GSAXGTOKQHOISM-UHFFFAOYSA-N 0 3 350.394 2.044 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c(OC(F)F)c1 ZINC000897221366 689990319 /nfs/dbraw/zinc/99/03/19/689990319.db2.gz LYOBDLSJHQVSKL-OLZOCXBDSA-N 0 3 357.357 2.232 20 5 FEBDHN CO[C@]1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364073 690886320 /nfs/dbraw/zinc/88/63/20/690886320.db2.gz UAWKYAVMIBNVDN-IRXDYDNUSA-N 0 3 368.455 2.156 20 5 FEBDHN CCC[C@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369061 690887772 /nfs/dbraw/zinc/88/77/72/690887772.db2.gz SFGIBFVBSJXFBI-HOTGVXAUSA-N 0 3 356.444 2.229 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901676 721512216 /nfs/dbraw/zinc/51/22/16/721512216.db2.gz XYBFFZRJSFCJBX-NVXWUHKLSA-N 0 3 358.373 2.471 20 5 FEBDHN CN(C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000028840399 539838218 /nfs/dbraw/zinc/83/82/18/539838218.db2.gz POMJMOLRJQUJEV-QGZVFWFLSA-N 0 3 357.410 2.263 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000041644058 540028988 /nfs/dbraw/zinc/02/89/88/540028988.db2.gz YWKRYRKUADGDIC-KBPBESRZSA-N 0 3 362.430 2.221 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000044505459 540128996 /nfs/dbraw/zinc/12/89/96/540128996.db2.gz WECAIFOFGKXFKY-UHFFFAOYSA-N 0 3 362.411 2.200 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000046948018 540278858 /nfs/dbraw/zinc/27/88/58/540278858.db2.gz WYMIAWGTTAZDCP-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN Cc1nn(C)c(NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000051914697 540447847 /nfs/dbraw/zinc/44/78/47/540447847.db2.gz DCHOTQBNEFJQIV-QGZVFWFLSA-N 0 3 372.473 2.427 20 5 FEBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(c2ccncc2)CC1 ZINC000052609755 540477583 /nfs/dbraw/zinc/47/75/83/540477583.db2.gz MJSGNZIZGSUXNA-UHFFFAOYSA-N 0 3 351.366 2.434 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000056890228 540753911 /nfs/dbraw/zinc/75/39/11/540753911.db2.gz FNGMMRVNCAXSCD-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000060374104 541108644 /nfs/dbraw/zinc/10/86/44/541108644.db2.gz KMCJRJAZBLSACW-HNNXBMFYSA-N 0 3 355.398 2.091 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065741947 541256916 /nfs/dbraw/zinc/25/69/16/541256916.db2.gz WTTLTZZJQILZKK-UHFFFAOYSA-N 0 3 371.441 2.271 20 5 FEBDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068240001 541567237 /nfs/dbraw/zinc/56/72/37/541567237.db2.gz AAZDGNCORZNSKA-ZDUSSCGKSA-N 0 3 367.402 2.068 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000071826305 541773775 /nfs/dbraw/zinc/77/37/75/541773775.db2.gz UHVKHJWXRQPIGE-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCCN(C2CCOCC2)CC1 ZINC000073858883 542008119 /nfs/dbraw/zinc/00/81/19/542008119.db2.gz ZYKQCQZXAARLCV-UHFFFAOYSA-N 0 3 369.368 2.200 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000074136757 542041663 /nfs/dbraw/zinc/04/16/63/542041663.db2.gz MFFUNAPEHNVNOA-KRWDZBQOSA-N 0 3 359.430 2.487 20 5 FEBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000074798308 542122376 /nfs/dbraw/zinc/12/23/76/542122376.db2.gz ZKBPRBDNKYZXOH-KRWDZBQOSA-N 0 3 367.409 2.346 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000075604326 542192416 /nfs/dbraw/zinc/19/24/16/542192416.db2.gz ICLDYUYQEKDVPS-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000079709680 542538194 /nfs/dbraw/zinc/53/81/94/542538194.db2.gz ILVQLWMDQJOWBY-NVXWUHKLSA-N 0 3 371.441 2.351 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000080611649 542597045 /nfs/dbraw/zinc/59/70/45/542597045.db2.gz NULAFQUSAHJXIU-MRXNPFEDSA-N 0 3 362.474 2.205 20 5 FEBDHN COCCOC[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093754130 542939585 /nfs/dbraw/zinc/93/95/85/542939585.db2.gz ZEPYYQVRGHQTFX-OAHLLOKOSA-N 0 3 374.441 2.480 20 5 FEBDHN COC(=O)CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000109574837 543327518 /nfs/dbraw/zinc/32/75/18/543327518.db2.gz JQUOCEXOGHYNBO-UHFFFAOYSA-N 0 3 352.387 2.482 20 5 FEBDHN O=C(CCN1CCC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000111294286 543393492 /nfs/dbraw/zinc/39/34/92/543393492.db2.gz QFSUOAOROIFOIZ-CQSZACIVSA-N 0 3 360.414 2.010 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000124666915 543835905 /nfs/dbraw/zinc/83/59/05/543835905.db2.gz CHYVQKBAHWVQJZ-CXAGYDPISA-N 0 3 357.414 2.335 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137064339 544383858 /nfs/dbraw/zinc/38/38/58/544383858.db2.gz UKXJIZGLVCDXAM-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169214 544512767 /nfs/dbraw/zinc/51/27/67/544512767.db2.gz QCDVQPQMTCYAHY-OEYIWLLWSA-N 0 3 363.414 2.478 20 5 FEBDHN Cc1cc(NC(=O)NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000153844572 544831723 /nfs/dbraw/zinc/83/17/23/544831723.db2.gz KHYQOSKWIAOGIX-HNNXBMFYSA-N 0 3 350.419 2.118 20 5 FEBDHN C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021700 327757455 /nfs/dbraw/zinc/75/74/55/327757455.db2.gz ZJQTVGIYYOCFBQ-LRDDRELGSA-N 0 3 362.430 2.336 20 5 FEBDHN CN(C)CCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182324444 327770441 /nfs/dbraw/zinc/77/04/41/327770441.db2.gz NICADHBLAIDCAB-UHFFFAOYSA-N 0 3 368.865 2.138 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000193917719 328401928 /nfs/dbraw/zinc/40/19/28/328401928.db2.gz JYGKCIOBDGFIDB-UHFFFAOYSA-N 0 3 371.459 2.145 20 5 FEBDHN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000194857598 328444077 /nfs/dbraw/zinc/44/40/77/328444077.db2.gz GIZMKZJVOACEOX-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000103112961 325507097 /nfs/dbraw/zinc/50/70/97/325507097.db2.gz GUTZJUYCRJMCFJ-UHFFFAOYSA-N 0 3 373.457 2.389 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118971352 326114289 /nfs/dbraw/zinc/11/42/89/326114289.db2.gz DBFBTDSHGWOCKO-UHFFFAOYSA-N 0 3 368.865 2.234 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119408229 326159295 /nfs/dbraw/zinc/15/92/95/326159295.db2.gz PHNHQPMXZONMJO-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1C ZINC000120866498 326294801 /nfs/dbraw/zinc/29/48/01/326294801.db2.gz LBMMXFDBSVWLQP-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000121286576 326327297 /nfs/dbraw/zinc/32/72/97/326327297.db2.gz BKJHYOCGALNOSJ-KBPBESRZSA-N 0 3 355.460 2.363 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000122345017 326393321 /nfs/dbraw/zinc/39/33/21/326393321.db2.gz ZTOIUTLYRQMEHM-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN O=C(CN[C@H]1CCCC[C@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128648972 326527517 /nfs/dbraw/zinc/52/75/17/326527517.db2.gz RXHPZDYJRFUQQV-DLBZAZTESA-N 0 3 369.425 2.454 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131634814 326578574 /nfs/dbraw/zinc/57/85/74/326578574.db2.gz ZSFYLPIQLYBZKR-HNNXBMFYSA-N 0 3 350.415 2.491 20 5 FEBDHN CCOc1cc(C(=O)N(CCN(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000156761925 326843149 /nfs/dbraw/zinc/84/31/49/326843149.db2.gz RTHROAKMOPNLNY-UHFFFAOYSA-N 0 3 353.419 2.414 20 5 FEBDHN CSCC[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977832 327014110 /nfs/dbraw/zinc/01/41/10/327014110.db2.gz WPVDRHUBRLBRMI-HNNXBMFYSA-N 0 3 353.444 2.045 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)C1CCCC1 ZINC000162898135 327037461 /nfs/dbraw/zinc/03/74/61/327037461.db2.gz GIEZYQMVAJVYJM-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000162968571 327039120 /nfs/dbraw/zinc/03/91/20/327039120.db2.gz NGSSPUBOBTXOQA-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN CCc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171367911 327135158 /nfs/dbraw/zinc/13/51/58/327135158.db2.gz KEGXIRMIFUDKCM-ZDUSSCGKSA-N 0 3 361.402 2.430 20 5 FEBDHN CN1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000172683909 327214397 /nfs/dbraw/zinc/21/43/97/327214397.db2.gz NUTRKTIXJRMTJV-MLGOLLRUSA-N 0 3 363.443 2.052 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000173626346 327272177 /nfs/dbraw/zinc/27/21/77/327272177.db2.gz SUWDXIGJUWJCCM-AWEZNQCLSA-N 0 3 353.444 2.091 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173626370 327272204 /nfs/dbraw/zinc/27/22/04/327272204.db2.gz IYQAFCOVXMVYRF-CQSZACIVSA-N 0 3 353.444 2.091 20 5 FEBDHN NCc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC000262977350 328905379 /nfs/dbraw/zinc/90/53/79/328905379.db2.gz MMTRVXZVCDGSGQ-UHFFFAOYSA-N 0 3 357.292 2.298 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 ZINC000264543460 329034356 /nfs/dbraw/zinc/03/43/56/329034356.db2.gz BFMRDCOPFZJTBY-HNNXBMFYSA-N 0 3 353.444 2.234 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264651914 329044561 /nfs/dbraw/zinc/04/45/61/329044561.db2.gz XHHDIDKVIPZDCK-INIZCTEOSA-N 0 3 362.430 2.373 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc([N+](=O)[O-])c1OC ZINC000265952223 329175907 /nfs/dbraw/zinc/17/59/07/329175907.db2.gz MUCVSORYEFNQCK-CYBMUJFWSA-N 0 3 353.419 2.318 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960581 329176901 /nfs/dbraw/zinc/17/69/01/329176901.db2.gz QBXKDJZIQWHGCK-QWHCGFSZSA-N 0 3 365.430 2.462 20 5 FEBDHN CN1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266701906 329250874 /nfs/dbraw/zinc/25/08/74/329250874.db2.gz GPKMTTCMRJBJOK-OAHLLOKOSA-N 0 3 362.430 2.242 20 5 FEBDHN CCOC(=O)c1ccnc(NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267029737 329284830 /nfs/dbraw/zinc/28/48/30/329284830.db2.gz AVFLEEITUSKWLI-OAHLLOKOSA-N 0 3 354.432 2.016 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000273409590 329862696 /nfs/dbraw/zinc/86/26/96/329862696.db2.gz IKXQVCJXFFONIO-ZDUSSCGKSA-N 0 3 355.460 2.087 20 5 FEBDHN CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275116853 330012184 /nfs/dbraw/zinc/01/21/84/330012184.db2.gz MJGUIPSDMXJXAB-ZBFHGGJFSA-N 0 3 365.455 2.012 20 5 FEBDHN C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000367059170 330212289 /nfs/dbraw/zinc/21/22/89/330212289.db2.gz CCVGQOKRQJLMJV-MLGOLLRUSA-N 0 3 354.401 2.335 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000159447212 545953837 /nfs/dbraw/zinc/95/38/37/545953837.db2.gz QEUXLLBMRDYFQV-AWEZNQCLSA-N 0 3 361.402 2.139 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160218864 546018515 /nfs/dbraw/zinc/01/85/15/546018515.db2.gz ISJMHUJCFFQIJO-UKRRQHHQSA-N 0 3 367.471 2.038 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000480011421 561201245 /nfs/dbraw/zinc/20/12/45/561201245.db2.gz GQHCRLYCEHXFHE-GOSISDBHSA-N 0 3 359.430 2.169 20 5 FEBDHN CN(CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CC1 ZINC000480366545 561207880 /nfs/dbraw/zinc/20/78/80/561207880.db2.gz MNCNKUUKMPMCFR-UHFFFAOYSA-N 0 3 363.805 2.300 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000179994230 547036143 /nfs/dbraw/zinc/03/61/43/547036143.db2.gz LWXCLRNIGVGBOF-ZDUSSCGKSA-N 0 3 352.341 2.099 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180498078 547118912 /nfs/dbraw/zinc/11/89/12/547118912.db2.gz CYNUKVXANJCWHV-INIZCTEOSA-N 0 3 357.414 2.385 20 5 FEBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)N(C)C)cc1 ZINC000180497442 547119399 /nfs/dbraw/zinc/11/93/99/547119399.db2.gz KOOQUIOEUXUWGE-INIZCTEOSA-N 0 3 357.414 2.167 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccsc1 ZINC000180528811 547125295 /nfs/dbraw/zinc/12/52/95/547125295.db2.gz RAJCCKNJRDZMBW-AWEZNQCLSA-N 0 3 363.443 2.446 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181512322 547326952 /nfs/dbraw/zinc/32/69/52/547326952.db2.gz FUNQWDVHKNUCBM-OAHLLOKOSA-N 0 3 365.430 2.463 20 5 FEBDHN CCO[C@@H]1C[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181905583 547400866 /nfs/dbraw/zinc/40/08/66/547400866.db2.gz XCCRRFWXOHLDFA-RRQGHBQHSA-N 0 3 352.431 2.470 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181919431 547404837 /nfs/dbraw/zinc/40/48/37/547404837.db2.gz LDQFDIKEAFYLJX-OAHLLOKOSA-N 0 3 369.487 2.175 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367046 547479665 /nfs/dbraw/zinc/47/96/65/547479665.db2.gz SGWWRGLCQVPLET-BBRMVZONSA-N 0 3 351.403 2.479 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000182947881 547576813 /nfs/dbraw/zinc/57/68/13/547576813.db2.gz WCIRTQSUQAONDK-ZDUSSCGKSA-N 0 3 371.434 2.149 20 5 FEBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000183756638 547713943 /nfs/dbraw/zinc/71/39/43/547713943.db2.gz DWAWMMGRTBIFFI-GOSISDBHSA-N 0 3 370.453 2.353 20 5 FEBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183911718 547739174 /nfs/dbraw/zinc/73/91/74/547739174.db2.gz BYKJQOQROWKJOF-KRWDZBQOSA-N 0 3 371.441 2.458 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184306439 547804597 /nfs/dbraw/zinc/80/45/97/547804597.db2.gz CEPOQBQHCSBRFT-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000184759368 547875539 /nfs/dbraw/zinc/87/55/39/547875539.db2.gz OBYWVITUQOWQSG-AEFFLSMTSA-N 0 3 363.458 2.391 20 5 FEBDHN CN(C)C(=O)CCN1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000485101157 561312569 /nfs/dbraw/zinc/31/25/69/561312569.db2.gz GWKDBIFAFACRNO-UHFFFAOYSA-N 0 3 371.441 2.498 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000184844649 547885977 /nfs/dbraw/zinc/88/59/77/547885977.db2.gz YQLVPYXAYKCITP-KRWDZBQOSA-N 0 3 373.457 2.373 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000185364550 547975348 /nfs/dbraw/zinc/97/53/48/547975348.db2.gz KYYANMSQJUDTQQ-UHFFFAOYSA-N 0 3 366.809 2.328 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194741257 548524968 /nfs/dbraw/zinc/52/49/68/548524968.db2.gz DJQSBWQILFWKBD-AWEZNQCLSA-N 0 3 357.414 2.132 20 5 FEBDHN CCOC1CC(CNCc2ccc(C)c([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000195460884 548643853 /nfs/dbraw/zinc/64/38/53/548643853.db2.gz PIPIMWXCGFTJDJ-UHFFFAOYSA-N 0 3 363.458 2.263 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)s1 ZINC000246392262 549123105 /nfs/dbraw/zinc/12/31/05/549123105.db2.gz PKONERWFIYQWLE-WCQYABFASA-N 0 3 371.484 2.294 20 5 FEBDHN COC(=O)c1cc(C)nc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488734731 561395633 /nfs/dbraw/zinc/39/56/33/561395633.db2.gz RPLHDSSHMGKVJI-TYNCELHUSA-N 0 3 362.430 2.251 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247167438 549293598 /nfs/dbraw/zinc/29/35/98/549293598.db2.gz UMQKGQJPBNHWNV-HOCLYGCPSA-N 0 3 367.471 2.262 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247199119 549298175 /nfs/dbraw/zinc/29/81/75/549298175.db2.gz WEWOTGNAPFUIQQ-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000248133250 549409065 /nfs/dbraw/zinc/40/90/65/549409065.db2.gz WYIMCYLKOWKCMV-LPHOPBHVSA-N 0 3 371.441 2.360 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000248367146 549422434 /nfs/dbraw/zinc/42/24/34/549422434.db2.gz SYNGDZYEKMEROM-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248504509 549451899 /nfs/dbraw/zinc/45/18/99/549451899.db2.gz VQTYLUKZKKHOCG-NHYWBVRUSA-N 0 3 373.450 2.393 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248871478 549518196 /nfs/dbraw/zinc/51/81/96/549518196.db2.gz JUHDRTIKAOMDCG-OCCSQVGLSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248882711 549520943 /nfs/dbraw/zinc/52/09/43/549520943.db2.gz RVGUJJVWMJRMLO-TZMCWYRMSA-N 0 3 362.430 2.078 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000248930880 549528372 /nfs/dbraw/zinc/52/83/72/549528372.db2.gz XUIWGSFLUGDNSF-CZUORRHYSA-N 0 3 354.410 2.427 20 5 FEBDHN COc1cc(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781067 561452669 /nfs/dbraw/zinc/45/26/69/561452669.db2.gz ACFOLVFGCAZDTC-WBVHZDCISA-N 0 3 362.474 2.061 20 5 FEBDHN COC(=O)c1cnc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785791 550595518 /nfs/dbraw/zinc/59/55/18/550595518.db2.gz OXFAFAFGRGMTAI-STQMWFEESA-N 0 3 366.418 2.078 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000276920142 550611027 /nfs/dbraw/zinc/61/10/27/550611027.db2.gz HACKKBKYXKOUBF-GOEBONIOSA-N 0 3 351.403 2.479 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277433138 550669816 /nfs/dbraw/zinc/66/98/16/550669816.db2.gz GMWIIMVDMYVOJD-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCCCN1C1CC1 ZINC000278488975 550792015 /nfs/dbraw/zinc/79/20/15/550792015.db2.gz LAGDADHUJPCOSB-CQSZACIVSA-N 0 3 372.429 2.287 20 5 FEBDHN COc1cc(CN2CCN(C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000278605424 550803719 /nfs/dbraw/zinc/80/37/19/550803719.db2.gz IUVPAGHSBJFPJF-CYBMUJFWSA-N 0 3 367.421 2.428 20 5 FEBDHN CC(C)N1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278748080 550817982 /nfs/dbraw/zinc/81/79/82/550817982.db2.gz RUNLGJGUFGPNJA-UHFFFAOYSA-N 0 3 360.418 2.097 20 5 FEBDHN COC(=O)[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280159485 550966282 /nfs/dbraw/zinc/96/62/82/550966282.db2.gz FGPAVMGEVVZUEQ-MLGOLLRUSA-N 0 3 358.398 2.236 20 5 FEBDHN CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281400538 551092505 /nfs/dbraw/zinc/09/25/05/551092505.db2.gz NMLLCYXWNKUING-CQSZACIVSA-N 0 3 351.403 2.433 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497459486 561501399 /nfs/dbraw/zinc/50/13/99/561501399.db2.gz JWXKGSITWDQYNP-NVXWUHKLSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282822367 551274354 /nfs/dbraw/zinc/27/43/54/551274354.db2.gz IYWITLSICJVMGS-CYBMUJFWSA-N 0 3 365.821 2.323 20 5 FEBDHN CN(C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000283058884 551304763 /nfs/dbraw/zinc/30/47/63/551304763.db2.gz WKUBPJRCYSAHPM-HNNXBMFYSA-N 0 3 365.821 2.254 20 5 FEBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CN1CCN(C)CC1 ZINC000283672249 551406764 /nfs/dbraw/zinc/40/67/64/551406764.db2.gz FAFARBBPSFIGKP-GFCCVEGCSA-N 0 3 369.853 2.253 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750847 551421763 /nfs/dbraw/zinc/42/17/63/551421763.db2.gz OMRQUYQNTPJFLX-HZMBPMFUSA-N 0 3 350.394 2.012 20 5 FEBDHN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284795961 551635676 /nfs/dbraw/zinc/63/56/76/551635676.db2.gz KBRUYYIADZSQEY-CDHAZOANSA-N 0 3 357.414 2.341 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](N2CCCC2)C[C@H]1C ZINC000285574180 551777068 /nfs/dbraw/zinc/77/70/68/551777068.db2.gz NZCXNTFXXIYOLN-UKRRQHHQSA-N 0 3 362.430 2.101 20 5 FEBDHN CN(C)[C@]1(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCSC1 ZINC000286555166 551899425 /nfs/dbraw/zinc/89/94/25/551899425.db2.gz DLHHJFPIEUWPFS-KRWDZBQOSA-N 0 3 366.487 2.216 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000286618768 551906807 /nfs/dbraw/zinc/90/68/07/551906807.db2.gz HWPPWANSNFLWSS-HIFRSBDPSA-N 0 3 353.444 2.151 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000286981589 551947644 /nfs/dbraw/zinc/94/76/44/551947644.db2.gz ORUROBCPPNWTFJ-OAHLLOKOSA-N 0 3 351.790 2.123 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000499370459 561549832 /nfs/dbraw/zinc/54/98/32/561549832.db2.gz TVJXRLOXUVGCQS-UHFFFAOYSA-N 0 3 366.368 2.416 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000288489859 552162202 /nfs/dbraw/zinc/16/22/02/552162202.db2.gz RMWVKBPFGUWFAO-IBGZPJMESA-N 0 3 369.425 2.067 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532947 552170526 /nfs/dbraw/zinc/17/05/26/552170526.db2.gz URJIACKHZBDKCK-KSSFIOAISA-N 0 3 369.425 2.479 20 5 FEBDHN CC(C)(CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289495536 552331224 /nfs/dbraw/zinc/33/12/24/552331224.db2.gz LJXKLFKUECDDSG-UHFFFAOYSA-N 0 3 350.156 2.060 20 5 FEBDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290377957 552469422 /nfs/dbraw/zinc/46/94/22/552469422.db2.gz QOKHIAXCAXTGDZ-SNVBAGLBSA-N 0 3 356.810 2.032 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500868771 561584728 /nfs/dbraw/zinc/58/47/28/561584728.db2.gz ZEHHXOAHBLUVRU-CZUORRHYSA-N 0 3 357.414 2.051 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000501246808 561593108 /nfs/dbraw/zinc/59/31/08/561593108.db2.gz HNUXOOPOPKZMQE-UHFFFAOYSA-N 0 3 351.451 2.070 20 5 FEBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291110194 552587794 /nfs/dbraw/zinc/58/77/94/552587794.db2.gz KICZSWUXVCXLSH-CYBMUJFWSA-N 0 3 353.423 2.026 20 5 FEBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293548214 552834488 /nfs/dbraw/zinc/83/44/88/552834488.db2.gz QZSWOUMUISSVMG-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCC(O)CC2)CC1 ZINC000295845800 553067278 /nfs/dbraw/zinc/06/72/78/553067278.db2.gz ZUVNBPIWCASKHI-MRXNPFEDSA-N 0 3 364.442 2.352 20 5 FEBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296422018 553157074 /nfs/dbraw/zinc/15/70/74/553157074.db2.gz VRKIHWDUURHPGT-QGTPRVQTSA-N 0 3 357.410 2.031 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000298052556 553377647 /nfs/dbraw/zinc/37/76/47/553377647.db2.gz HZAVWNWUHCCCDE-UHFFFAOYSA-N 0 3 362.430 2.093 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000298728359 553464657 /nfs/dbraw/zinc/46/46/57/553464657.db2.gz NDTRIRCGPRERQL-UHFFFAOYSA-N 0 3 355.398 2.137 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000298820705 553477304 /nfs/dbraw/zinc/47/73/04/553477304.db2.gz BJZUMONRGVIKHI-GDBMZVCRSA-N 0 3 374.441 2.235 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299238442 553535215 /nfs/dbraw/zinc/53/52/15/553535215.db2.gz IZZWYBCDDYOVOU-NSHDSACASA-N 0 3 370.837 2.423 20 5 FEBDHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299238441 553535257 /nfs/dbraw/zinc/53/52/57/553535257.db2.gz IZZWYBCDDYOVOU-LLVKDONJSA-N 0 3 370.837 2.423 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000299552680 553580015 /nfs/dbraw/zinc/58/00/15/553580015.db2.gz GEFUBDRGEXDAIG-QWRGUYRKSA-N 0 3 368.821 2.128 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CCC(CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301893959 553689169 /nfs/dbraw/zinc/68/91/69/553689169.db2.gz PEHUICJQEDJRTG-UHFFFAOYSA-N 0 3 367.471 2.311 20 5 FEBDHN Cc1nc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302482549 553718521 /nfs/dbraw/zinc/71/85/21/553718521.db2.gz WWPVPPQDFUGHBO-LJQANCHMSA-N 0 3 356.426 2.371 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000330416431 554118553 /nfs/dbraw/zinc/11/85/53/554118553.db2.gz OHAWQVBXEVMEGT-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000330422211 554119645 /nfs/dbraw/zinc/11/96/45/554119645.db2.gz SJEVUJKRSJKHGC-AWEZNQCLSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000331499762 554275529 /nfs/dbraw/zinc/27/55/29/554275529.db2.gz NURWCZCHQFDYLH-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331736617 554318303 /nfs/dbraw/zinc/31/83/03/554318303.db2.gz UEVYCOICDGLMPM-BEFAXECRSA-N 0 3 361.442 2.414 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000332247690 554409441 /nfs/dbraw/zinc/40/94/41/554409441.db2.gz BQIOJMKWXPXWKH-OAHLLOKOSA-N 0 3 361.398 2.082 20 5 FEBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCN(C2CCOCC2)CC1 ZINC000361012770 554900299 /nfs/dbraw/zinc/90/02/99/554900299.db2.gz OLQNXRCJYQPRMC-VOTSOKGWSA-N 0 3 359.426 2.321 20 5 FEBDHN CC(=O)c1ccc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362328071 554963887 /nfs/dbraw/zinc/96/38/87/554963887.db2.gz WJROPCQTIWCKHQ-CQSZACIVSA-N 0 3 360.458 2.402 20 5 FEBDHN O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363191958 555049944 /nfs/dbraw/zinc/04/99/44/555049944.db2.gz FSSRFUOFSNCPJN-CYBMUJFWSA-N 0 3 352.822 2.357 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364213833 555271561 /nfs/dbraw/zinc/27/15/61/555271561.db2.gz QWBGVVYUDOFYHU-HUUCEWRRSA-N 0 3 359.357 2.309 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](OCC2CC2)C1 ZINC000364432141 555313156 /nfs/dbraw/zinc/31/31/56/555313156.db2.gz ASMFURAKINJFBR-CVEARBPZSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1OCCN1CCCC1 ZINC000512784566 561915252 /nfs/dbraw/zinc/91/52/52/561915252.db2.gz YUOIVYJGUWCRLF-UHFFFAOYSA-N 0 3 359.386 2.353 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364956818 555449987 /nfs/dbraw/zinc/44/99/87/555449987.db2.gz QBECPTZCPUPANC-HNNXBMFYSA-N 0 3 369.425 2.214 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](COC(F)F)C1 ZINC000512831950 561917161 /nfs/dbraw/zinc/91/71/61/561917161.db2.gz GJLWVXCZKMFZMC-NSHDSACASA-N 0 3 371.340 2.454 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365206678 555511246 /nfs/dbraw/zinc/51/12/46/555511246.db2.gz YPQKGMZZEDBPKY-CQSZACIVSA-N 0 3 353.444 2.070 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000513021587 561922584 /nfs/dbraw/zinc/92/25/84/561922584.db2.gz GNINAOCZPFLAFO-DDJMYBDESA-N 0 3 353.444 2.012 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COc3ccccc3F)CC2)n1 ZINC000365519122 555597209 /nfs/dbraw/zinc/59/72/09/555597209.db2.gz WJAQNCVFCJDLMO-AWEZNQCLSA-N 0 3 364.377 2.007 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000367331803 556020386 /nfs/dbraw/zinc/02/03/86/556020386.db2.gz HFGSROQIXFSHIH-LJQANCHMSA-N 0 3 356.426 2.250 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)n1 ZINC000367548543 556079691 /nfs/dbraw/zinc/07/96/91/556079691.db2.gz CQAFNJXFRAAVQL-NHYWBVRUSA-N 0 3 363.443 2.203 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)n1 ZINC000367548544 556079791 /nfs/dbraw/zinc/07/97/91/556079791.db2.gz CQAFNJXFRAAVQL-XHDPSFHLSA-N 0 3 363.443 2.203 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105541 556220339 /nfs/dbraw/zinc/22/03/39/556220339.db2.gz TUCLQPDXZGLHSJ-GUYCJALGSA-N 0 3 352.398 2.288 20 5 FEBDHN Cn1ccnc1[C@@H](N[C@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105541 556220340 /nfs/dbraw/zinc/22/03/40/556220340.db2.gz TUCLQPDXZGLHSJ-GUYCJALGSA-N 0 3 352.398 2.288 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000368219828 556252000 /nfs/dbraw/zinc/25/20/00/556252000.db2.gz AWPDQRKPYXRRCN-OAHLLOKOSA-N 0 3 354.410 2.371 20 5 FEBDHN CN(C)Cc1cccc(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368374359 556291344 /nfs/dbraw/zinc/29/13/44/556291344.db2.gz LTPKBSIBQOKCPU-INIZCTEOSA-N 0 3 357.414 2.330 20 5 FEBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976426 556465672 /nfs/dbraw/zinc/46/56/72/556465672.db2.gz WGKZQPTZRZXLQD-JOQOYGCGSA-N 0 3 370.409 2.378 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1Cn1ccnn1 ZINC000369378004 556585038 /nfs/dbraw/zinc/58/50/38/556585038.db2.gz DIRFPYUOQIKNMW-INIZCTEOSA-N 0 3 372.429 2.378 20 5 FEBDHN CN1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000369573317 556635337 /nfs/dbraw/zinc/63/53/37/556635337.db2.gz KPLTURRCWDJFQX-MLGOLLRUSA-N 0 3 363.443 2.052 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3N3CCOCC3)CC2)n1 ZINC000369691278 556669722 /nfs/dbraw/zinc/66/97/22/556669722.db2.gz DGXHFMIYCPAZEG-UHFFFAOYSA-N 0 3 371.441 2.465 20 5 FEBDHN CC[NH+](CC)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000532347411 562474788 /nfs/dbraw/zinc/47/47/88/562474788.db2.gz XNMMDMYIIXZRBJ-CYBMUJFWSA-N 0 3 358.464 2.025 20 5 FEBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516378 562045721 /nfs/dbraw/zinc/04/57/21/562045721.db2.gz BYXGZDMNUJWVIU-ZIAGYGMSSA-N 0 3 361.402 2.477 20 5 FEBDHN CCN1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])cn2)[C@@H]1c1cnn(C)c1 ZINC000370409973 556864296 /nfs/dbraw/zinc/86/42/96/556864296.db2.gz KKGVSGPYQNKACJ-XJKSGUPXSA-N 0 3 359.434 2.028 20 5 FEBDHN CN1CCC[C@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000370698498 556943727 /nfs/dbraw/zinc/94/37/27/556943727.db2.gz FVUSCPRBEMSCMM-HNNXBMFYSA-N 0 3 352.866 2.460 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)n1 ZINC000371090464 557072231 /nfs/dbraw/zinc/07/22/31/557072231.db2.gz SFFPYUTUFZSJOD-UHFFFAOYSA-N 0 3 358.324 2.413 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219103 557110362 /nfs/dbraw/zinc/11/03/62/557110362.db2.gz JVCCXGCNNBQCOD-YJBOKZPZSA-N 0 3 360.458 2.001 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000371546760 557216822 /nfs/dbraw/zinc/21/68/22/557216822.db2.gz OCOFFPDQKZKLOO-KSSFIOAISA-N 0 3 358.442 2.361 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000518607515 562115197 /nfs/dbraw/zinc/11/51/97/562115197.db2.gz DDGKBDQEAQULJK-XNRPHZJLSA-N 0 3 365.405 2.479 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC000518612243 562115347 /nfs/dbraw/zinc/11/53/47/562115347.db2.gz MDNXYBZOBAWGNZ-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnccc2N2CCN(C)CC2)c1 ZINC000518612243 562115348 /nfs/dbraw/zinc/11/53/48/562115348.db2.gz MDNXYBZOBAWGNZ-UHFFFAOYSA-N 0 3 371.397 2.003 20 5 FEBDHN O=C1NC[C@]2(CCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)O1 ZINC000372617211 557522088 /nfs/dbraw/zinc/52/20/88/557522088.db2.gz GKZLLSZECASTDT-SFHVURJKSA-N 0 3 372.381 2.367 20 5 FEBDHN CC(C)(O)CN1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000372638856 557527587 /nfs/dbraw/zinc/52/75/87/557527587.db2.gz KNQQRODTCBNXRC-UHFFFAOYSA-N 0 3 373.400 2.475 20 5 FEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000519860040 562146886 /nfs/dbraw/zinc/14/68/86/562146886.db2.gz RLYCGKCWJHTVFS-LBPRGKRZSA-N 0 3 359.448 2.002 20 5 FEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@H](O)COCc3ccccc3)C2)c1 ZINC000373583197 557722880 /nfs/dbraw/zinc/72/28/80/557722880.db2.gz IVYDSNRMVXMBDA-WMZOPIPTSA-N 0 3 360.414 2.006 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(c2cccnn2)CC1 ZINC000373781100 557757987 /nfs/dbraw/zinc/75/79/87/557757987.db2.gz GNOBHYBRYKVCFU-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000521032276 562167988 /nfs/dbraw/zinc/16/79/88/562167988.db2.gz BQVDGNXBNFYARE-NUJGCVRESA-N 0 3 363.414 2.240 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015802 557964467 /nfs/dbraw/zinc/96/44/67/557964467.db2.gz DRSFMHBTUPANFD-ABAIWWIYSA-N 0 3 352.822 2.213 20 5 FEBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000375206107 557991878 /nfs/dbraw/zinc/99/18/78/557991878.db2.gz HDLYMVUGJDRZOQ-CQSZACIVSA-N 0 3 353.444 2.031 20 5 FEBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598423 558054804 /nfs/dbraw/zinc/05/48/04/558054804.db2.gz NGNDAQNEBNHWJF-BJJXKVORSA-N 0 3 360.414 2.042 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623729 558058331 /nfs/dbraw/zinc/05/83/31/558058331.db2.gz LBDUIYTUVZBSJW-GDBMZVCRSA-N 0 3 367.471 2.026 20 5 FEBDHN COc1cc(OCC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000375825179 558085671 /nfs/dbraw/zinc/08/56/71/558085671.db2.gz OQXHFQIDDOXFGX-KBPBESRZSA-N 0 3 363.414 2.067 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)n1 ZINC000376654830 558203863 /nfs/dbraw/zinc/20/38/63/558203863.db2.gz ZRPMZZVXBRSYCF-UHFFFAOYSA-N 0 3 353.386 2.414 20 5 FEBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H](C)C1 ZINC000521845361 562184672 /nfs/dbraw/zinc/18/46/72/562184672.db2.gz OAQHGEYTMLERQO-UONOGXRCSA-N 0 3 372.429 2.026 20 5 FEBDHN O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000522044271 562190053 /nfs/dbraw/zinc/19/00/53/562190053.db2.gz IHTMALIJIZQOBZ-UHFFFAOYSA-N 0 3 358.398 2.328 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccccc2)CC1 ZINC000377484030 558348611 /nfs/dbraw/zinc/34/86/11/558348611.db2.gz HIBKJZNGGKOAJU-UHFFFAOYSA-N 0 3 356.426 2.357 20 5 FEBDHN COC(=O)/C=C/c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512636 558354827 /nfs/dbraw/zinc/35/48/27/558354827.db2.gz OKZCEMHJMZAPDH-SJKUQHEZSA-N 0 3 361.398 2.056 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862798 558437198 /nfs/dbraw/zinc/43/71/98/558437198.db2.gz ZEDZJFPIJLSEGV-MNOVXSKESA-N 0 3 354.794 2.233 20 5 FEBDHN CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000523287533 562210443 /nfs/dbraw/zinc/21/04/43/562210443.db2.gz MPJRIHZWIMTPFY-QGZVFWFLSA-N 0 3 371.441 2.480 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524418213 562228324 /nfs/dbraw/zinc/22/83/24/562228324.db2.gz SCZRSLLDUARGTI-UHFFFAOYSA-N 0 3 357.366 2.315 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000411180568 558849594 /nfs/dbraw/zinc/84/95/94/558849594.db2.gz NIGVFHOVXCSMDB-HNNXBMFYSA-N 0 3 374.441 2.237 20 5 FEBDHN CCCN(CCN(CC)CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411418970 558891404 /nfs/dbraw/zinc/89/14/04/558891404.db2.gz GMRANTQJEZNIFM-UHFFFAOYSA-N 0 3 364.446 2.422 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCC(C)CC2)c1F ZINC000411428733 558893558 /nfs/dbraw/zinc/89/35/58/558893558.db2.gz PEIQNCNCHKEAPH-UHFFFAOYSA-N 0 3 353.394 2.133 20 5 FEBDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799784 558965703 /nfs/dbraw/zinc/96/57/03/558965703.db2.gz XBHYEXMJYWKDLG-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945221 558993070 /nfs/dbraw/zinc/99/30/70/558993070.db2.gz KJZYBNOBLGFRDK-QGHHPUGFSA-N 0 3 365.386 2.055 20 5 FEBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411975249 558998142 /nfs/dbraw/zinc/99/81/42/558998142.db2.gz ZZJUWYORIYTGPV-LJQANCHMSA-N 0 3 366.377 2.365 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@H]2CCCN(C)C2)c1F ZINC000412108063 559014457 /nfs/dbraw/zinc/01/44/57/559014457.db2.gz HCMXVIWNVLDQMU-LBPRGKRZSA-N 0 3 353.394 2.085 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1F ZINC000412121381 559015597 /nfs/dbraw/zinc/01/55/97/559015597.db2.gz FIOKNKOXXLNAJU-VXGBXAGGSA-N 0 3 353.394 2.226 20 5 FEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1N(C)C ZINC000413199946 559087897 /nfs/dbraw/zinc/08/78/97/559087897.db2.gz DPRQLMZERVUFKF-QWRGUYRKSA-N 0 3 350.366 2.490 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCCC2(C)C)c1F ZINC000413868847 559136363 /nfs/dbraw/zinc/13/63/63/559136363.db2.gz WTLJMXKXXHAPGO-UHFFFAOYSA-N 0 3 353.394 2.276 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161386 559151232 /nfs/dbraw/zinc/15/12/32/559151232.db2.gz BTRQLXNDAQTSJA-XMZIXOGTSA-N 0 3 351.403 2.334 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416662732 559328577 /nfs/dbraw/zinc/32/85/77/559328577.db2.gz PEFVGLHMBMYMJN-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN COc1ccc(CNC(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000417177401 559351566 /nfs/dbraw/zinc/35/15/66/559351566.db2.gz CVDNZEFUQIEYQZ-UHFFFAOYSA-N 0 3 356.382 2.206 20 5 FEBDHN COc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000417201596 559352703 /nfs/dbraw/zinc/35/27/03/559352703.db2.gz WRYSVPFDBMMCSW-MRXNPFEDSA-N 0 3 370.409 2.290 20 5 FEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000417706808 559373433 /nfs/dbraw/zinc/37/34/33/559373433.db2.gz AIBMFDUSNOJMNB-AWEZNQCLSA-N 0 3 356.373 2.214 20 5 FEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCNCc1cccnc1 ZINC000418323137 559397314 /nfs/dbraw/zinc/39/73/14/559397314.db2.gz DOIZYSLTXLXQFL-UHFFFAOYSA-N 0 3 371.441 2.354 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000420446140 559487831 /nfs/dbraw/zinc/48/78/31/559487831.db2.gz GWQLKMJRLQNHHC-SECBINFHSA-N 0 3 367.349 2.034 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000420470574 559489399 /nfs/dbraw/zinc/48/93/99/559489399.db2.gz XCNIRPFVACSKDE-INIZCTEOSA-N 0 3 363.439 2.444 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420751306 559502206 /nfs/dbraw/zinc/50/22/06/559502206.db2.gz WAZGVCJTSUKBHC-UHFFFAOYSA-N 0 3 355.460 2.363 20 5 FEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCc3nnnn3CC2)o1 ZINC000421393546 559540952 /nfs/dbraw/zinc/54/09/52/559540952.db2.gz FDAKXVIXZAGKBF-LBPRGKRZSA-N 0 3 354.370 2.336 20 5 FEBDHN CCOc1cc(C(=O)N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000421699502 559549621 /nfs/dbraw/zinc/54/96/21/559549621.db2.gz BJXXUSBRGKUPEA-GFCCVEGCSA-N 0 3 351.403 2.168 20 5 FEBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000421715989 559550592 /nfs/dbraw/zinc/55/05/92/559550592.db2.gz ZKRZZIRABYJDPR-CYBMUJFWSA-N 0 3 370.247 2.452 20 5 FEBDHN CN(C[C@@H]1CCCN1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000422034018 559561879 /nfs/dbraw/zinc/56/18/79/559561879.db2.gz ISRZYPKUSDSPAQ-ZDUSSCGKSA-N 0 3 358.398 2.074 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000422782802 559606487 /nfs/dbraw/zinc/60/64/87/559606487.db2.gz MJVGGKNPVODVOC-UHFFFAOYSA-N 0 3 355.398 2.269 20 5 FEBDHN NC[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000422855878 559608668 /nfs/dbraw/zinc/60/86/68/559608668.db2.gz DBBBTZKPJUVCGJ-INIZCTEOSA-N 0 3 357.360 2.427 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000424043676 559652409 /nfs/dbraw/zinc/65/24/09/559652409.db2.gz ZGHUMTARBOBOIY-DOTOQJQBSA-N 0 3 359.357 2.066 20 5 FEBDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425516162 559707251 /nfs/dbraw/zinc/70/72/51/559707251.db2.gz UJWYYPDQXOYFJC-CYBMUJFWSA-N 0 3 368.821 2.339 20 5 FEBDHN NC(=O)c1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000425555262 559709581 /nfs/dbraw/zinc/70/95/81/559709581.db2.gz QEGKSDKLMWZAJC-QGZVFWFLSA-N 0 3 359.426 2.475 20 5 FEBDHN COc1cc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000428550504 559777970 /nfs/dbraw/zinc/77/79/70/559777970.db2.gz VJMBLVHCHKSTQU-MRXNPFEDSA-N 0 3 371.393 2.422 20 5 FEBDHN COC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433017081 559870032 /nfs/dbraw/zinc/87/00/32/559870032.db2.gz XDKBEDIZCDMVIC-KCXAZCMYSA-N 0 3 351.403 2.096 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1 ZINC000436441393 559941672 /nfs/dbraw/zinc/94/16/72/559941672.db2.gz YBOHVJDNMIOTHS-HZPDHXFCSA-N 0 3 365.455 2.397 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443626410 560088843 /nfs/dbraw/zinc/08/88/43/560088843.db2.gz PZIZAUGKKPMHPP-GXTWGEPZSA-N 0 3 350.419 2.085 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318428 560144301 /nfs/dbraw/zinc/14/43/01/560144301.db2.gz BVUXIVKRBFURRF-FCEWJHQRSA-N 0 3 359.426 2.012 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448324081 560184446 /nfs/dbraw/zinc/18/44/46/560184446.db2.gz BHXFUFMXYWCVMZ-OAHLLOKOSA-N 0 3 362.430 2.078 20 5 FEBDHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448704779 560195329 /nfs/dbraw/zinc/19/53/29/560195329.db2.gz ORSWUHSOGDMNGP-UHFFFAOYSA-N 0 3 357.414 2.242 20 5 FEBDHN CNS(=O)(=O)c1cccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449089046 560215495 /nfs/dbraw/zinc/21/54/95/560215495.db2.gz CSDZXNVNTRPAJT-CYBMUJFWSA-N 0 3 363.439 2.224 20 5 FEBDHN Cc1cc(N2CCC[C@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449168939 560218616 /nfs/dbraw/zinc/21/86/16/560218616.db2.gz CHMHUDAHCPXAKX-BBRMVZONSA-N 0 3 371.441 2.353 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000449279926 560223253 /nfs/dbraw/zinc/22/32/53/560223253.db2.gz UPCZRQGBEVUQAW-UKRRQHHQSA-N 0 3 357.414 2.045 20 5 FEBDHN CCN(C)C(=O)[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449441035 560230188 /nfs/dbraw/zinc/23/01/88/560230188.db2.gz OEGHHNICQGOGGX-GUYCJALGSA-N 0 3 364.446 2.404 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CN1C1CC1 ZINC000450137430 560251889 /nfs/dbraw/zinc/25/18/89/560251889.db2.gz RYHQRFBMQIURQV-YPMHNXCESA-N 0 3 355.398 2.340 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152966 560252369 /nfs/dbraw/zinc/25/23/69/560252369.db2.gz RQZRSXDDZZLIAF-APPDUMDISA-N 0 3 355.398 2.197 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234067 560255081 /nfs/dbraw/zinc/25/50/81/560255081.db2.gz PPNHAQPLXRFWRO-JKSUJKDBSA-N 0 3 369.425 2.337 20 5 FEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)nc1-c1ccc(F)cc1 ZINC000450601994 560267706 /nfs/dbraw/zinc/26/77/06/560267706.db2.gz ZGCYCTHTEHROBV-MRXNPFEDSA-N 0 3 374.416 3.055 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409268 560305232 /nfs/dbraw/zinc/30/52/32/560305232.db2.gz AESAEOUJQDVBCI-LZLYRXPVSA-N 0 3 359.426 2.109 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@](O)(C(F)F)C3)o2)c1 ZINC000451433783 560306813 /nfs/dbraw/zinc/30/68/13/560306813.db2.gz PFXDWTXONNJHJJ-MRXNPFEDSA-N 0 3 353.325 2.494 20 5 FEBDHN CC(C)[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)C ZINC000451592995 560316421 /nfs/dbraw/zinc/31/64/21/560316421.db2.gz HAUJWCCZWVPTII-QFBILLFUSA-N 0 3 363.458 2.363 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593918 560316573 /nfs/dbraw/zinc/31/65/73/560316573.db2.gz IUZPIZLYCQFICM-KSSFIOAISA-N 0 3 367.446 2.421 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@]2(CCOC2)C1 ZINC000451900731 560335730 /nfs/dbraw/zinc/33/57/30/560335730.db2.gz LYXYDIONWJMENK-SFHVURJKSA-N 0 3 361.398 2.395 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000452970312 560379517 /nfs/dbraw/zinc/37/95/17/560379517.db2.gz FGLNKHSCYHJSOZ-RISCZKNCSA-N 0 3 368.231 2.062 20 5 FEBDHN CNc1nc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000456040780 560505222 /nfs/dbraw/zinc/50/52/22/560505222.db2.gz FDHNOEJIWXLGDV-MLGOLLRUSA-N 0 3 357.414 2.453 20 5 FEBDHN O=C(NC1CCN(C2CCC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456709444 560530207 /nfs/dbraw/zinc/53/02/07/560530207.db2.gz XVUOGOKLLZBLBW-UHFFFAOYSA-N 0 3 361.398 2.113 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457128036 560551363 /nfs/dbraw/zinc/55/13/63/560551363.db2.gz RSTSEQXEZBSZSD-MRXNPFEDSA-N 0 3 357.414 2.335 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459659512 560700494 /nfs/dbraw/zinc/70/04/94/560700494.db2.gz KJLUVNXXMDYWBK-LBPRGKRZSA-N 0 3 362.352 2.472 20 5 FEBDHN NC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000459794996 560708657 /nfs/dbraw/zinc/70/86/57/560708657.db2.gz XBRGSMMFGGJKIM-UHFFFAOYSA-N 0 3 359.426 2.243 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000472135626 561019063 /nfs/dbraw/zinc/01/90/63/561019063.db2.gz BEMQGOLABNVPMJ-UHFFFAOYSA-N 0 3 367.425 2.272 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985011 561062811 /nfs/dbraw/zinc/06/28/11/561062811.db2.gz RHOAOBYDKDNWFK-WFASDCNBSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004446 561063284 /nfs/dbraw/zinc/06/32/84/561063284.db2.gz GOXZYOVEDAHONN-JECHBYEQSA-N 0 3 366.414 2.296 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000530441461 562411318 /nfs/dbraw/zinc/41/13/18/562411318.db2.gz GSTNRDQSSXLNAA-OAHLLOKOSA-N 0 3 366.414 2.177 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254994 568320947 /nfs/dbraw/zinc/32/09/47/568320947.db2.gz GOBPUKDLEWDKRW-SCRDCRAPSA-N 0 3 361.398 2.126 20 5 FEBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000584716725 568548191 /nfs/dbraw/zinc/54/81/91/568548191.db2.gz MMKCTMATEDLMDQ-KBPBESRZSA-N 0 3 362.430 2.303 20 5 FEBDHN CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CCN(C)CC1 ZINC000558483442 674499406 /nfs/dbraw/zinc/49/94/06/674499406.db2.gz QTZVAIZETIXZQA-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586194 607112988 /nfs/dbraw/zinc/11/29/88/607112988.db2.gz NKGRJCWXOLUASI-UHFFFAOYSA-N 0 3 367.413 2.343 20 5 FEBDHN C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586194 607112989 /nfs/dbraw/zinc/11/29/89/607112989.db2.gz NKGRJCWXOLUASI-UHFFFAOYSA-N 0 3 367.413 2.343 20 5 FEBDHN CC(COC(=O)c1cc(I)ccc1F)[N+](=O)[O-] ZINC000813104352 674719466 /nfs/dbraw/zinc/71/94/66/674719466.db2.gz YVKUYNIJPOVVEK-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN CC(=O)c1cc(Br)ccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102705 674719669 /nfs/dbraw/zinc/71/96/69/674719669.db2.gz JCSZSPKMLSXRJT-MRVPVSSYSA-N 0 3 360.160 2.239 20 5 FEBDHN CC(COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)[N+](=O)[O-] ZINC000813102717 674719685 /nfs/dbraw/zinc/71/96/85/674719685.db2.gz JLANOPYOBARAJG-NSHDSACASA-N 0 3 353.352 2.076 20 5 FEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1I ZINC000813102151 674719687 /nfs/dbraw/zinc/71/96/87/674719687.db2.gz BWTMAWONJNPERG-ZETCQYMHSA-N 0 3 365.123 2.122 20 5 FEBDHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104439 674720189 /nfs/dbraw/zinc/72/01/89/674720189.db2.gz CSDGFTDGTFISBS-ZWNOBZJWSA-N 0 3 370.789 2.162 20 5 FEBDHN Cc1nc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000565594167 675135081 /nfs/dbraw/zinc/13/50/81/675135081.db2.gz KHTJGTWXWJNFHO-UHFFFAOYSA-N 0 3 369.468 2.274 20 5 FEBDHN NC(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000579705245 671754549 /nfs/dbraw/zinc/75/45/49/671754549.db2.gz SHIBAZDLLYCHDZ-VIFPVBQESA-N 0 3 374.241 2.031 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610134956 675955927 /nfs/dbraw/zinc/95/59/27/675955927.db2.gz HLLDSCZPVUIBIM-KGLIPLIRSA-N 0 3 355.460 2.397 20 5 FEBDHN C[C@@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000610485237 675975135 /nfs/dbraw/zinc/97/51/35/675975135.db2.gz WWLOZUBHESSSDU-AWEZNQCLSA-N 0 3 358.320 2.307 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494840 672100339 /nfs/dbraw/zinc/10/03/39/672100339.db2.gz HIDSUMQLNKXWNN-LSDHHAIUSA-N 0 3 369.487 2.079 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494839 672100361 /nfs/dbraw/zinc/10/03/61/672100361.db2.gz HIDSUMQLNKXWNN-HUUCEWRRSA-N 0 3 369.487 2.079 20 5 FEBDHN CCOc1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793066 672216444 /nfs/dbraw/zinc/21/64/44/672216444.db2.gz BHCRDXGLDSDELE-ROUUACIJSA-N 0 3 350.415 2.403 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590047166 672556388 /nfs/dbraw/zinc/55/63/88/672556388.db2.gz WMXXTIWTSWJSFI-DOMZBBRYSA-N 0 3 358.423 2.494 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590445075 672583403 /nfs/dbraw/zinc/58/34/03/672583403.db2.gz QEBYRVMGRWEFPW-DOMZBBRYSA-N 0 3 365.455 2.109 20 5 FEBDHN COCC1(C2CCC2)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594716211 673121915 /nfs/dbraw/zinc/12/19/15/673121915.db2.gz MBHYAKBDDHZLLY-MRXNPFEDSA-N 0 3 350.415 2.083 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000462573056 673264200 /nfs/dbraw/zinc/26/42/00/673264200.db2.gz HKRZTJCUFAYADL-HNNXBMFYSA-N 0 3 367.471 2.446 20 5 FEBDHN O=c1[n-]ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1[N+](=O)[O-] ZINC000596132302 673361864 /nfs/dbraw/zinc/36/18/64/673361864.db2.gz XIKDRNGNCLCLJI-UHFFFAOYSA-N 0 3 362.415 2.240 20 5 FEBDHN O=[N+]([O-])c1ccc(OCc2cn(CCCN3CCSCC3)nn2)cc1 ZINC000600967754 673814737 /nfs/dbraw/zinc/81/47/37/673814737.db2.gz KHFZJCWUDVNAJQ-UHFFFAOYSA-N 0 3 363.443 2.204 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000546776435 673817694 /nfs/dbraw/zinc/81/76/94/673817694.db2.gz FNKUMNSTYORHAG-UKRRQHHQSA-N 0 3 355.460 2.229 20 5 FEBDHN Cn1nnc2c1CC[C@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602709052 673910130 /nfs/dbraw/zinc/91/01/30/673910130.db2.gz ZLQUJYIJRIFDDZ-NSHDSACASA-N 0 3 355.320 2.389 20 5 FEBDHN O=[N+]([O-])c1sc(CNCC[C@]2(O)CCOC2)cc1Br ZINC000602700037 673910267 /nfs/dbraw/zinc/91/02/67/673910267.db2.gz QXOJKTDLZPCXBX-NSHDSACASA-N 0 3 351.222 2.050 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602853441 673912299 /nfs/dbraw/zinc/91/22/99/673912299.db2.gz YKXJRZDHJCFVEM-TZMCWYRMSA-N 0 3 352.435 2.399 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C/CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224357 675271309 /nfs/dbraw/zinc/27/13/09/675271309.db2.gz CJXHBWVGAWEEJH-RGDDUWESSA-N 0 3 351.403 2.299 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825644196 675662181 /nfs/dbraw/zinc/66/21/81/675662181.db2.gz XRDAGTDIALJUQE-VXGBXAGGSA-N 0 3 353.806 2.150 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000762358553 680748036 /nfs/dbraw/zinc/74/80/36/680748036.db2.gz LVQJWSHXSPIHKL-KGLIPLIRSA-N 0 3 372.878 2.164 20 5 FEBDHN NCc1cn([C@@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100154 680863301 /nfs/dbraw/zinc/86/33/01/680863301.db2.gz VUYUVIUOXWHHOZ-CQSZACIVSA-N 0 3 350.810 2.136 20 5 FEBDHN CN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000874094225 685294227 /nfs/dbraw/zinc/29/42/27/685294227.db2.gz BVFWTZLFIFSRLA-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN C[C@H](C[C@H](O)c1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099165 680987644 /nfs/dbraw/zinc/98/76/44/680987644.db2.gz CJUTXSVDAJLWOV-DOMZBBRYSA-N 0 3 368.411 2.063 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000772156654 681087992 /nfs/dbraw/zinc/08/79/92/681087992.db2.gz SDYDITLJCUWUES-OLZOCXBDSA-N 0 3 353.806 2.150 20 5 FEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912605182 685405756 /nfs/dbraw/zinc/40/57/56/685405756.db2.gz HOOYQKTVSFIQKN-UHFFFAOYSA-N 0 3 355.460 2.093 20 5 FEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352524 681527923 /nfs/dbraw/zinc/52/79/23/681527923.db2.gz QHSYCRUUUQBSHO-YPMHNXCESA-N 0 3 361.427 2.346 20 5 FEBDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850551266 681915614 /nfs/dbraw/zinc/91/56/14/681915614.db2.gz UNELLOMGMHFTGR-JTQLQIEISA-N 0 3 368.821 2.176 20 5 FEBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345553 682031076 /nfs/dbraw/zinc/03/10/76/682031076.db2.gz QRQMYLAEUUMHEG-CQSZACIVSA-N 0 3 356.810 2.356 20 5 FEBDHN CCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820702 682147669 /nfs/dbraw/zinc/14/76/69/682147669.db2.gz FTTUKRDXXPBGDF-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CCC[N@H+]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820702 682147673 /nfs/dbraw/zinc/14/76/73/682147673.db2.gz FTTUKRDXXPBGDF-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351368 682265094 /nfs/dbraw/zinc/26/50/94/682265094.db2.gz MZPJBYCLKISCNU-KCPJHIHWSA-N 0 3 353.375 2.159 20 5 FEBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351367 682265162 /nfs/dbraw/zinc/26/51/62/682265162.db2.gz MZPJBYCLKISCNU-GLQYFDAESA-N 0 3 353.375 2.159 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000790265621 682663389 /nfs/dbraw/zinc/66/33/89/682663389.db2.gz NNFBRECQIDGEBD-JQWIXIFHSA-N 0 3 369.805 2.310 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000791210454 682728610 /nfs/dbraw/zinc/72/86/10/682728610.db2.gz JOKRMVRUXRGNCF-UHFFFAOYSA-N 0 3 352.410 2.406 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455807 683455264 /nfs/dbraw/zinc/45/52/64/683455264.db2.gz UKMFVGGJMKPOCH-WPRPVWTQSA-N 0 3 359.329 2.027 20 5 FEBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000929212168 683562899 /nfs/dbraw/zinc/56/28/99/683562899.db2.gz NWNONXWUBPYVDR-ZIAGYGMSSA-N 0 3 368.821 2.311 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(O)CCC3(CC2)OCCO3)c1 ZINC000922623132 683756637 /nfs/dbraw/zinc/75/66/37/683756637.db2.gz HAOMLMJEANLRTB-UHFFFAOYSA-N 0 3 356.806 2.386 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCN(C(C)=O)CC1 ZINC000872021320 684916000 /nfs/dbraw/zinc/91/60/00/684916000.db2.gz BJLIOLISNGRRCT-ZDUSSCGKSA-N 0 3 366.487 2.131 20 5 FEBDHN O=C(CCN1CC[C@](CO)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886804564 688315385 /nfs/dbraw/zinc/31/53/85/688315385.db2.gz ZTOBCUZDNOJJOD-AWEZNQCLSA-N 0 3 361.320 2.170 20 5 FEBDHN O=C(CCN1CC[C@@](CO)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886804325 688315616 /nfs/dbraw/zinc/31/56/16/688315616.db2.gz VOVCFVISPKFLHP-CQSZACIVSA-N 0 3 361.320 2.170 20 5 FEBDHN COc1c(O)ccc(CNCC[C@@H](N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000896878554 689943217 /nfs/dbraw/zinc/94/32/17/689943217.db2.gz IRTSJISFVXRGAH-LLVKDONJSA-N 0 3 351.325 2.281 20 5 FEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000896878554 689943218 /nfs/dbraw/zinc/94/32/18/689943218.db2.gz IRTSJISFVXRGAH-LLVKDONJSA-N 0 3 351.325 2.281 20 5 FEBDHN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220391 689990224 /nfs/dbraw/zinc/99/02/24/689990224.db2.gz AHYOLOKMHZEZCQ-QWHCGFSZSA-N 0 3 370.247 2.393 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956434 210199615 /nfs/dbraw/zinc/19/96/15/210199615.db2.gz KSYVRFDCKIDOLT-ZIAGYGMSSA-N 0 3 361.423 2.403 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000031464439 539908564 /nfs/dbraw/zinc/90/85/64/539908564.db2.gz XTWGGGSVNLFHBP-UHFFFAOYSA-N 0 3 362.411 2.200 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000047147638 540292340 /nfs/dbraw/zinc/29/23/40/540292340.db2.gz ZRWRUGFRDSYSGO-AWEZNQCLSA-N 0 3 357.414 2.242 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000052101454 540453949 /nfs/dbraw/zinc/45/39/49/540453949.db2.gz WKCPFXAYODNAGO-OLZOCXBDSA-N 0 3 370.475 2.178 20 5 FEBDHN O=C(Nc1cnccn1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054250831 540577839 /nfs/dbraw/zinc/57/78/39/540577839.db2.gz KPYWACKHSKEDHK-UHFFFAOYSA-N 0 3 355.398 2.278 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000055281050 540642770 /nfs/dbraw/zinc/64/27/70/540642770.db2.gz FZPUWVVYUQHDFR-ZDUSSCGKSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cc(C)cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000065978336 541275995 /nfs/dbraw/zinc/27/59/95/541275995.db2.gz PPSBFOOIRLHDLC-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CN(C)Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000067135575 541422472 /nfs/dbraw/zinc/42/24/72/541422472.db2.gz ZATNVNRYYALLDK-UHFFFAOYSA-N 0 3 366.381 2.489 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000067487059 541470907 /nfs/dbraw/zinc/47/09/07/541470907.db2.gz VOVFURJYQIBUCX-HNNXBMFYSA-N 0 3 350.419 2.118 20 5 FEBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000067706482 541502242 /nfs/dbraw/zinc/50/22/42/541502242.db2.gz DLQIFYTYAOCVIK-MRXNPFEDSA-N 0 3 354.410 2.397 20 5 FEBDHN CN(CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000068305469 541574725 /nfs/dbraw/zinc/57/47/25/541574725.db2.gz OFDJKBNYRIOZLT-UHFFFAOYSA-N 0 3 371.393 2.034 20 5 FEBDHN C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000068308830 541574748 /nfs/dbraw/zinc/57/47/48/541574748.db2.gz HAERVBBJLIDBFF-AWEZNQCLSA-N 0 3 363.414 2.023 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000071895881 541774618 /nfs/dbraw/zinc/77/46/18/541774618.db2.gz VEPRRXWNQCTPRI-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000073436471 541954193 /nfs/dbraw/zinc/95/41/93/541954193.db2.gz HVWPGTRKSZTSAG-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc([N+](=O)[O-])c1 ZINC000074136923 542042253 /nfs/dbraw/zinc/04/22/53/542042253.db2.gz DICKVPWVNHLBHI-MRXNPFEDSA-N 0 3 365.430 2.478 20 5 FEBDHN COc1ccc(NC(=O)CN(C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000077322881 542366961 /nfs/dbraw/zinc/36/69/61/542366961.db2.gz FJOIVIFTRZXZNY-UHFFFAOYSA-N 0 3 351.403 2.431 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000077451415 542383190 /nfs/dbraw/zinc/38/31/90/542383190.db2.gz UYXHMYRFWVTIHW-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN O=c1[nH]cnc2cc(N3CCCN(C4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000077994924 542436856 /nfs/dbraw/zinc/43/68/56/542436856.db2.gz ZMFBGPDOUJHUDS-UHFFFAOYSA-N 0 3 357.414 2.286 20 5 FEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000106364099 543225680 /nfs/dbraw/zinc/22/56/80/543225680.db2.gz XSESOEDERAWZCS-OAHLLOKOSA-N 0 3 357.414 2.162 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000107707521 543277011 /nfs/dbraw/zinc/27/70/11/543277011.db2.gz XNZTVCZCWWVCHD-AWEZNQCLSA-N 0 3 371.434 2.373 20 5 FEBDHN CCN(C)CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000112926318 543469143 /nfs/dbraw/zinc/46/91/43/543469143.db2.gz FXKBSXGBMLDYPZ-UHFFFAOYSA-N 0 3 359.430 2.138 20 5 FEBDHN CNC(=O)CCNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000114215958 543508244 /nfs/dbraw/zinc/50/82/44/543508244.db2.gz ACQQKQDMXAJKJA-UHFFFAOYSA-N 0 3 373.409 2.408 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000115439336 543567774 /nfs/dbraw/zinc/56/77/74/543567774.db2.gz DAXAFSFTSLENQM-CYBMUJFWSA-N 0 3 365.430 2.416 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115586001 543575941 /nfs/dbraw/zinc/57/59/41/543575941.db2.gz OCUSKFNDYACBAN-ZDUSSCGKSA-N 0 3 355.460 2.120 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000117636722 543636830 /nfs/dbraw/zinc/63/68/30/543636830.db2.gz DPAUTISENNAFLP-UHFFFAOYSA-N 0 3 351.794 2.188 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000125038481 543857156 /nfs/dbraw/zinc/85/71/56/543857156.db2.gz QXQLYQTUHUZNSY-AWEZNQCLSA-N 0 3 360.389 2.219 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCCCO1 ZINC000126039211 543914660 /nfs/dbraw/zinc/91/46/60/543914660.db2.gz ODTPTIVZBOESFY-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000125630951 543892514 /nfs/dbraw/zinc/89/25/14/543892514.db2.gz GOBOPMAMEGICQG-VXGBXAGGSA-N 0 3 359.473 2.070 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000129807898 544128098 /nfs/dbraw/zinc/12/80/98/544128098.db2.gz MDMJQVSNPNYYMM-UHFFFAOYSA-N 0 3 371.384 2.493 20 5 FEBDHN CS(=O)(=O)N1CCC[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130871931 544168759 /nfs/dbraw/zinc/16/87/59/544168759.db2.gz OAICKXCNOWREJV-HNNXBMFYSA-N 0 3 367.471 2.231 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136414170 544372874 /nfs/dbraw/zinc/37/28/74/544372874.db2.gz UYTZJNGRWQCFMZ-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136028007 544364831 /nfs/dbraw/zinc/36/48/31/544364831.db2.gz ROPWFSNBULMBDN-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000137039867 544383622 /nfs/dbraw/zinc/38/36/22/544383622.db2.gz YXUMKKQAEPFUOF-SJORKVTESA-N 0 3 357.414 2.019 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000148164799 544449239 /nfs/dbraw/zinc/44/92/39/544449239.db2.gz MQTJDWHRSBQTPY-UHFFFAOYSA-N 0 3 355.398 2.218 20 5 FEBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C1CC1 ZINC000151237220 544520186 /nfs/dbraw/zinc/52/01/86/544520186.db2.gz UVIBLFVIOQJASD-SNVBAGLBSA-N 0 3 370.247 2.499 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(C[NH+](C)C)CC1 ZINC000151770869 544577956 /nfs/dbraw/zinc/57/79/56/544577956.db2.gz OGHWEGAFEWECAL-UHFFFAOYSA-N 0 3 371.459 2.002 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OCCCO)CC1 ZINC000154849896 544957544 /nfs/dbraw/zinc/95/75/44/544957544.db2.gz JOEKSQBIJMMBLB-UHFFFAOYSA-N 0 3 365.430 2.095 20 5 FEBDHN CC(C)COC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181566595 327736462 /nfs/dbraw/zinc/73/64/62/327736462.db2.gz DDJINWYUGZCCCZ-OAHLLOKOSA-N 0 3 352.431 2.472 20 5 FEBDHN CC[C@]1(CO)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187525187 328031571 /nfs/dbraw/zinc/03/15/71/328031571.db2.gz FESCGQZJXUKAEU-SFHVURJKSA-N 0 3 365.430 2.417 20 5 FEBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188079719 328064670 /nfs/dbraw/zinc/06/46/70/328064670.db2.gz ZMZOTXQHFZVCAS-HXUWFJFHSA-N 0 3 369.421 2.304 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)c(Cl)c1 ZINC000189214417 328135285 /nfs/dbraw/zinc/13/52/85/328135285.db2.gz GOSVCOLMJGUKQO-UHFFFAOYSA-N 0 3 367.814 2.330 20 5 FEBDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000189373019 328143923 /nfs/dbraw/zinc/14/39/23/328143923.db2.gz MRDUNCCCKHFDTF-UHFFFAOYSA-N 0 3 374.397 2.025 20 5 FEBDHN COCCCN1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191077967 328248832 /nfs/dbraw/zinc/24/88/32/328248832.db2.gz XWAZPWURBOWRSV-UHFFFAOYSA-N 0 3 365.430 2.143 20 5 FEBDHN COc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000191279605 328258152 /nfs/dbraw/zinc/25/81/52/328258152.db2.gz CKTFSSZMCKMWPA-OAHLLOKOSA-N 0 3 365.430 2.095 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC000191614540 328274025 /nfs/dbraw/zinc/27/40/25/328274025.db2.gz JLQPIDMJXXUADF-UHFFFAOYSA-N 0 3 363.393 2.154 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191998907 328292893 /nfs/dbraw/zinc/29/28/93/328292893.db2.gz BZHUHCZNFCDENR-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN CN1C(=O)C[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000192152384 328303070 /nfs/dbraw/zinc/30/30/70/328303070.db2.gz RXDKQCYFMJLUNC-CZUORRHYSA-N 0 3 363.805 2.006 20 5 FEBDHN CCc1n[nH]c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192565372 328326139 /nfs/dbraw/zinc/32/61/39/328326139.db2.gz RVWGIULDALLFLG-UHFFFAOYSA-N 0 3 361.402 2.210 20 5 FEBDHN CCc1[nH]nc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192565372 328326141 /nfs/dbraw/zinc/32/61/41/328326141.db2.gz RVWGIULDALLFLG-UHFFFAOYSA-N 0 3 361.402 2.210 20 5 FEBDHN CCN1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000192574162 328326553 /nfs/dbraw/zinc/32/65/53/328326553.db2.gz XNOXCPUSGMNGEM-UHFFFAOYSA-N 0 3 355.826 2.007 20 5 FEBDHN COc1cccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000192687520 328333380 /nfs/dbraw/zinc/33/33/80/328333380.db2.gz DLWHEUQQFPTGET-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000083027288 325210596 /nfs/dbraw/zinc/21/05/96/325210596.db2.gz SUAFACJYFXPYOI-CHWSQXEVSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc([N+](=O)[O-])c1F ZINC000092995937 325430253 /nfs/dbraw/zinc/43/02/53/325430253.db2.gz AKFSXPLHCZFIJQ-ZDUSSCGKSA-N 0 3 371.434 2.149 20 5 FEBDHN CC(C)CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000119060587 326123098 /nfs/dbraw/zinc/12/30/98/326123098.db2.gz ZZYUIGZLZPDLSI-CQSZACIVSA-N 0 3 370.475 2.165 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000120702052 326280107 /nfs/dbraw/zinc/28/01/07/326280107.db2.gz OUICLGADOPXIOJ-JSGCOSHPSA-N 0 3 365.430 2.414 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1C ZINC000120914868 326298541 /nfs/dbraw/zinc/29/85/41/326298541.db2.gz BIBNLXLYNYYQCM-GXTWGEPZSA-N 0 3 355.460 2.172 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000121649232 326354864 /nfs/dbraw/zinc/35/48/64/326354864.db2.gz QOAUUHXPNNTJMN-CXAGYDPISA-N 0 3 365.455 2.232 20 5 FEBDHN Cc1c(Br)cc(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000121723398 326361742 /nfs/dbraw/zinc/36/17/42/326361742.db2.gz NEESGUHXPWPMKD-SNVBAGLBSA-N 0 3 356.220 2.347 20 5 FEBDHN CS[C@H](CO)[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152488941 326708773 /nfs/dbraw/zinc/70/87/73/326708773.db2.gz LTVPPNBPBMHRIL-IAQYHMDHSA-N 0 3 350.444 2.197 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153616010 326737904 /nfs/dbraw/zinc/73/79/04/326737904.db2.gz LGNMSZVURGRBCK-LSDHHAIUSA-N 0 3 350.463 2.280 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162819845 327035671 /nfs/dbraw/zinc/03/56/71/327035671.db2.gz VSPVHTOWTYPKIV-UHFFFAOYSA-N 0 3 370.837 2.233 20 5 FEBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](N2CCCC2)C1 ZINC000171440923 327139846 /nfs/dbraw/zinc/13/98/46/327139846.db2.gz KUWHZPQPBJQZQR-KRWDZBQOSA-N 0 3 355.398 2.091 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000172018783 327176404 /nfs/dbraw/zinc/17/64/04/327176404.db2.gz QNVPZYFLMYTESZ-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN CN1CCC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000173380140 327252789 /nfs/dbraw/zinc/25/27/89/327252789.db2.gz JAWFAQFMXRIZCB-UHFFFAOYSA-N 0 3 362.430 2.242 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000173627227 327271997 /nfs/dbraw/zinc/27/19/97/327271997.db2.gz YDXXBMQGFUHPTE-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173632665 327272518 /nfs/dbraw/zinc/27/25/18/327272518.db2.gz FDEMJSJLMVHDAM-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000173634048 327272580 /nfs/dbraw/zinc/27/25/80/327272580.db2.gz XFZVJTCMTGDNEX-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173631619 327272614 /nfs/dbraw/zinc/27/26/14/327272614.db2.gz ZAWHIKQMMLVAIB-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173668472 327275099 /nfs/dbraw/zinc/27/50/99/327275099.db2.gz FJEYRLUHDBODGY-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173671616 327275555 /nfs/dbraw/zinc/27/55/55/327275555.db2.gz JYOIMVBLNLIKTI-LBPRGKRZSA-N 0 3 359.423 2.229 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176431271 327455419 /nfs/dbraw/zinc/45/54/19/327455419.db2.gz CKLNBKXWNOIVBY-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000264296700 329008008 /nfs/dbraw/zinc/00/80/08/329008008.db2.gz QZSQTIJEPQBGJM-UHFFFAOYSA-N 0 3 351.378 2.109 20 5 FEBDHN CN(CCCN1CCN(C)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264669386 329046538 /nfs/dbraw/zinc/04/65/38/329046538.db2.gz TXEIZKFGHFPMMJ-UHFFFAOYSA-N 0 3 371.279 2.431 20 5 FEBDHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082189 329088796 /nfs/dbraw/zinc/08/87/96/329088796.db2.gz QQMRXAMFRVNYJI-MNOVXSKESA-N 0 3 351.794 2.450 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265922107 329173087 /nfs/dbraw/zinc/17/30/87/329173087.db2.gz CGVOWKZEDYSLBV-ZDUSSCGKSA-N 0 3 351.403 2.216 20 5 FEBDHN COCCCN(C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000266180475 329197669 /nfs/dbraw/zinc/19/76/69/329197669.db2.gz XRKJFXRZMIYZQC-ZDUSSCGKSA-N 0 3 355.460 2.160 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267437876 329327283 /nfs/dbraw/zinc/32/72/83/329327283.db2.gz NXUJMMFVZKACDL-RHSMWYFYSA-N 0 3 371.441 2.127 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1OC(F)F ZINC000267441759 329327695 /nfs/dbraw/zinc/32/76/95/329327695.db2.gz YWFDLSKHBBOCSW-GFCCVEGCSA-N 0 3 357.357 2.355 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178580 329393699 /nfs/dbraw/zinc/39/36/99/329393699.db2.gz KYGINXLRIXOSDC-XJKSGUPXSA-N 0 3 358.442 2.408 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1=O ZINC000270279588 329587849 /nfs/dbraw/zinc/58/78/49/329587849.db2.gz VEGGTLUZMSYXBF-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN CS[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N(C)C ZINC000270683056 329621913 /nfs/dbraw/zinc/62/19/13/329621913.db2.gz VJVUMYHSRAUSHQ-KGLIPLIRSA-N 0 3 363.443 2.122 20 5 FEBDHN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)CN1 ZINC000272646648 329801107 /nfs/dbraw/zinc/80/11/07/329801107.db2.gz YKEOPZOODRWTEJ-YUMQZZPRSA-N 0 3 360.183 2.319 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000275902351 330101935 /nfs/dbraw/zinc/10/19/35/330101935.db2.gz RCVQVFAQVKXCQV-CYBMUJFWSA-N 0 3 362.430 2.030 20 5 FEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](CN2CCCCC2)C1 ZINC000276350891 330143955 /nfs/dbraw/zinc/14/39/55/330143955.db2.gz UKKIFGHMPJTOGW-AWEZNQCLSA-N 0 3 367.471 2.311 20 5 FEBDHN Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281818500 330176710 /nfs/dbraw/zinc/17/67/10/330176710.db2.gz SYYKWLUNKQXMTQ-JKSUJKDBSA-N 0 3 370.365 2.378 20 5 FEBDHN COc1ccc([C@@H](O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291393779 330189326 /nfs/dbraw/zinc/18/93/26/330189326.db2.gz BKPNSMINOVSJPX-GOSISDBHSA-N 0 3 360.414 2.246 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061804 330212672 /nfs/dbraw/zinc/21/26/72/330212672.db2.gz YMBRSQDCEZAVAV-ZWKOTPCHSA-N 0 3 374.441 2.132 20 5 FEBDHN CN(C)c1cccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247556394 549356064 /nfs/dbraw/zinc/35/60/64/549356064.db2.gz QJFKVISUWFYELI-MSOLQXFVSA-N 0 3 359.430 2.055 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000478433625 561166807 /nfs/dbraw/zinc/16/68/07/561166807.db2.gz MDRSFQUCWSOYFW-UHFFFAOYSA-N 0 3 370.409 2.280 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000159709748 545974177 /nfs/dbraw/zinc/97/41/77/545974177.db2.gz HTQSOOYMWJYPKC-UHFFFAOYSA-N 0 3 374.416 2.104 20 5 FEBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000162734713 546141534 /nfs/dbraw/zinc/14/15/34/546141534.db2.gz PMCAVUOVOJCLJO-VHSXEESVSA-N 0 3 372.219 2.310 20 5 FEBDHN COc1c(C(=O)Nc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000480577178 561212369 /nfs/dbraw/zinc/21/23/69/561212369.db2.gz KWIWFBYBRNFWMS-UHFFFAOYSA-N 0 3 360.370 2.191 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177036959 546529110 /nfs/dbraw/zinc/52/91/10/546529110.db2.gz JGVCBHQSYMMFDK-JSGCOSHPSA-N 0 3 355.398 2.136 20 5 FEBDHN CCOc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000481191308 561227655 /nfs/dbraw/zinc/22/76/55/561227655.db2.gz MOBUEYWCHXMDFO-MRXNPFEDSA-N 0 3 353.444 2.161 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1C ZINC000178306060 546773189 /nfs/dbraw/zinc/77/31/89/546773189.db2.gz HROLJGKLSSSEFW-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000178629645 546823713 /nfs/dbraw/zinc/82/37/13/546823713.db2.gz KZERZRSALOWNQK-DGCLKSJQSA-N 0 3 352.822 2.355 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866231 547197162 /nfs/dbraw/zinc/19/71/62/547197162.db2.gz REOXSDDYRZLNPN-WMLDXEAASA-N 0 3 357.414 2.434 20 5 FEBDHN Cc1cnc(CCN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000182253667 547461030 /nfs/dbraw/zinc/46/10/30/547461030.db2.gz BDYKWBSSMSXUEH-CYBMUJFWSA-N 0 3 351.428 2.274 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182681957 547533481 /nfs/dbraw/zinc/53/34/81/547533481.db2.gz QGBLDHADBDSANP-NSHDSACASA-N 0 3 368.821 2.035 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000183289492 547632676 /nfs/dbraw/zinc/63/26/76/547632676.db2.gz USQHEVBPRQJJCL-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183766533 547715798 /nfs/dbraw/zinc/71/57/98/547715798.db2.gz MSLFANZRFAGERV-INIZCTEOSA-N 0 3 373.384 2.231 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000184613700 547854797 /nfs/dbraw/zinc/85/47/97/547854797.db2.gz BFJXQXKUZOOIPC-JKSUJKDBSA-N 0 3 367.471 2.372 20 5 FEBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000185505995 547993991 /nfs/dbraw/zinc/99/39/91/547993991.db2.gz QBYDZWIAUGAYQZ-UHFFFAOYSA-N 0 3 357.414 2.084 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC1(N(C)C)CCC1 ZINC000187001591 548238240 /nfs/dbraw/zinc/23/82/40/548238240.db2.gz SRZPTXAXDDKJPT-CYBMUJFWSA-N 0 3 364.446 2.347 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cccc3cc[nH]c32)c1 ZINC000237994519 548869499 /nfs/dbraw/zinc/86/94/99/548869499.db2.gz WJSHBCUSBGRPFE-UHFFFAOYSA-N 0 3 374.422 2.144 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246693325 549190330 /nfs/dbraw/zinc/19/03/30/549190330.db2.gz YYQBTQJRTRWEFV-DZGCQCFKSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H]2COCC[C@H]21 ZINC000246836202 549224942 /nfs/dbraw/zinc/22/49/42/549224942.db2.gz KIANFSXOAYDWNZ-CVEARBPZSA-N 0 3 365.455 2.438 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247300963 549313856 /nfs/dbraw/zinc/31/38/56/549313856.db2.gz OYCGNFITTNSCCM-KSSFIOAISA-N 0 3 369.425 2.337 20 5 FEBDHN CCO[C@@H]1C[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248474068 549447922 /nfs/dbraw/zinc/44/79/22/549447922.db2.gz XCCRRFWXOHLDFA-XOKHGSTOSA-N 0 3 352.431 2.470 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000249137585 549559193 /nfs/dbraw/zinc/55/91/93/549559193.db2.gz YYJUGOISSFARBA-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253544400 549692867 /nfs/dbraw/zinc/69/28/67/549692867.db2.gz RCXMFGWHDWOUFU-MEDUHNTESA-N 0 3 358.398 2.261 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000262972737 549867251 /nfs/dbraw/zinc/86/72/51/549867251.db2.gz LXEFXMUOYAAKBX-UHFFFAOYSA-N 0 3 357.292 2.216 20 5 FEBDHN C[C@H](CC[S@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268455471 550069492 /nfs/dbraw/zinc/06/94/92/550069492.db2.gz XHOITJZUMCDIDK-YYUOZPCZSA-N 0 3 350.444 2.242 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121249 550157604 /nfs/dbraw/zinc/15/76/04/550157604.db2.gz DBWPSLLWCWILJR-CRAIPNDOSA-N 0 3 356.426 2.492 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000493036942 561454217 /nfs/dbraw/zinc/45/42/17/561454217.db2.gz XHXMCBGSXCJDPE-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN CS[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1N(C)C ZINC000270671312 550295265 /nfs/dbraw/zinc/29/52/65/550295265.db2.gz RMWOIASFIHTCEY-KGLIPLIRSA-N 0 3 363.443 2.122 20 5 FEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CN(C)CCN1C ZINC000271192410 550350576 /nfs/dbraw/zinc/35/05/76/550350576.db2.gz XUBOVBXONFXVKD-LSDHHAIUSA-N 0 3 352.504 2.301 20 5 FEBDHN CS[C@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271682598 550394791 /nfs/dbraw/zinc/39/47/91/550394791.db2.gz ZOAVMGVPYFKMLR-CVEARBPZSA-N 0 3 366.487 2.215 20 5 FEBDHN CS[C@@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271683849 550395121 /nfs/dbraw/zinc/39/51/21/550395121.db2.gz ZOAVMGVPYFKMLR-JKSUJKDBSA-N 0 3 366.487 2.215 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000271975241 550414186 /nfs/dbraw/zinc/41/41/86/550414186.db2.gz NQKGRTODCJIBBJ-UHFFFAOYSA-N 0 3 365.455 2.325 20 5 FEBDHN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1=CCN(C)CC1 ZINC000272974626 550479047 /nfs/dbraw/zinc/47/90/47/550479047.db2.gz ORMMRQRPXGALRL-ZDUSSCGKSA-N 0 3 355.398 2.161 20 5 FEBDHN C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1=CCN(C)CC1 ZINC000273056134 550482829 /nfs/dbraw/zinc/48/28/29/550482829.db2.gz XXMGOPLGQRYCDO-OAHLLOKOSA-N 0 3 373.457 2.077 20 5 FEBDHN CCN1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273680937 550507827 /nfs/dbraw/zinc/50/78/27/550507827.db2.gz ZDBRRXYYSFRRNO-UHFFFAOYSA-N 0 3 356.430 2.134 20 5 FEBDHN COCCCN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273907277 550515370 /nfs/dbraw/zinc/51/53/70/550515370.db2.gz YPCKRPSWPIBSBV-UHFFFAOYSA-N 0 3 355.410 2.096 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000277251399 550648020 /nfs/dbraw/zinc/64/80/20/550648020.db2.gz ZLQSUGHYNLVHGS-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@H]1NCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H]1C ZINC000277490380 550677041 /nfs/dbraw/zinc/67/70/41/550677041.db2.gz NSZNMWAGBBOYDA-HTQZYQBOSA-N 0 3 360.183 2.319 20 5 FEBDHN COc1cc(C(=O)NCCCN2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000277567313 550685694 /nfs/dbraw/zinc/68/56/94/550685694.db2.gz NREQPOFVJQVFKS-CYBMUJFWSA-N 0 3 365.430 2.143 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000277722526 550706557 /nfs/dbraw/zinc/70/65/57/550706557.db2.gz NAONBSKVZBQKCW-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733770 550707989 /nfs/dbraw/zinc/70/79/89/550707989.db2.gz OHJFJZVUQFIQLR-OLZOCXBDSA-N 0 3 374.445 2.391 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278816125 550825109 /nfs/dbraw/zinc/82/51/09/550825109.db2.gz YYCLHMBQQCAMQF-OCCSQVGLSA-N 0 3 372.429 2.239 20 5 FEBDHN CC(=O)N1CCN(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279034860 550849107 /nfs/dbraw/zinc/84/91/07/550849107.db2.gz IUQXNQPLZWKXCC-GOSISDBHSA-N 0 3 360.458 2.071 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CN1C1CC1 ZINC000279367796 550882173 /nfs/dbraw/zinc/88/21/73/550882173.db2.gz GQNPVIXWTSRQPC-WDEREUQCSA-N 0 3 350.394 2.155 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)[C@@H]3CCOC3)cs2)c1 ZINC000280298795 550978207 /nfs/dbraw/zinc/97/82/07/550978207.db2.gz NGUVAKWTKWGMDN-ZIAGYGMSSA-N 0 3 363.439 2.453 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281714499 551133856 /nfs/dbraw/zinc/13/38/56/551133856.db2.gz IAZVDNTXQSMAAG-UHFFFAOYSA-N 0 3 368.865 2.312 20 5 FEBDHN CCCNC(=O)CN(CCC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282662411 551256995 /nfs/dbraw/zinc/25/69/95/551256995.db2.gz LZYANWGFRHFKMH-UHFFFAOYSA-N 0 3 350.419 2.162 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000497724347 561507179 /nfs/dbraw/zinc/50/71/79/561507179.db2.gz AYADJXUCFOPIKK-UHFFFAOYSA-N 0 3 361.446 2.195 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCOCC2)CC1 ZINC000284654225 551599798 /nfs/dbraw/zinc/59/97/98/551599798.db2.gz FLBBLQSNIUMBMS-OAHLLOKOSA-N 0 3 350.415 2.227 20 5 FEBDHN CCN(C)CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498750719 561533731 /nfs/dbraw/zinc/53/37/31/561533731.db2.gz DIUGRBFLRQKFPR-UHFFFAOYSA-N 0 3 362.352 2.484 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000287007258 551951067 /nfs/dbraw/zinc/95/10/67/551951067.db2.gz HRCMXJILVHFJNJ-BLLLJJGKSA-N 0 3 361.398 2.080 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343677 552137350 /nfs/dbraw/zinc/13/73/50/552137350.db2.gz JYHYPHYAGVDPSI-QWHCGFSZSA-N 0 3 364.421 2.499 20 5 FEBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000288512149 552166591 /nfs/dbraw/zinc/16/65/91/552166591.db2.gz ZZFLXKTXUUHXKN-HNNXBMFYSA-N 0 3 361.402 2.138 20 5 FEBDHN COc1ccc(C[C@@H](CO)CNCc2csc([N+](=O)[O-])c2)cc1O ZINC000289508620 552332872 /nfs/dbraw/zinc/33/28/72/552332872.db2.gz UMQWPSJSZVMEGF-GFCCVEGCSA-N 0 3 352.412 2.311 20 5 FEBDHN C[C@@H](CO)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289519974 552334845 /nfs/dbraw/zinc/33/48/45/552334845.db2.gz NTPMWHUREMKHDG-IUCAKERBSA-N 0 3 364.183 2.306 20 5 FEBDHN NC(=O)c1ccnc(NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290720258 552525974 /nfs/dbraw/zinc/52/59/74/552525974.db2.gz YSFDGVUVUWHYDT-CQSZACIVSA-N 0 3 355.398 2.165 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000290892008 552557065 /nfs/dbraw/zinc/55/70/65/552557065.db2.gz UYWFBSGEBXCERG-HNNXBMFYSA-N 0 3 362.430 2.086 20 5 FEBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CCN(C)CC1 ZINC000291359482 552618266 /nfs/dbraw/zinc/61/82/66/552618266.db2.gz BDBQSIZLZKRCGE-UHFFFAOYSA-N 0 3 365.430 2.176 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292805583 552760064 /nfs/dbraw/zinc/76/00/64/552760064.db2.gz MRGCSJIZCLKUQN-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000294130982 552884428 /nfs/dbraw/zinc/88/44/28/552884428.db2.gz MHVNCVBMAPFMKY-IBGZPJMESA-N 0 3 369.425 2.338 20 5 FEBDHN COC(=O)Cc1ccc(NCCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295091053 552958347 /nfs/dbraw/zinc/95/83/47/552958347.db2.gz SFPVRVCBYVKSDQ-CQSZACIVSA-N 0 3 365.430 2.223 20 5 FEBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842724 553066918 /nfs/dbraw/zinc/06/69/18/553066918.db2.gz CZFWWDSMXLATPT-HOTGVXAUSA-N 0 3 363.414 2.479 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000298306630 553410527 /nfs/dbraw/zinc/41/05/27/553410527.db2.gz MCEMLMWFQCMSAV-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000298908722 553488215 /nfs/dbraw/zinc/48/82/15/553488215.db2.gz BXTNZJVKGAWNMT-UHFFFAOYSA-N 0 3 362.430 2.373 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000299600978 553587315 /nfs/dbraw/zinc/58/73/15/553587315.db2.gz IOXGUBXZPBIEEJ-ZDUSSCGKSA-N 0 3 362.430 2.030 20 5 FEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000299667399 553600120 /nfs/dbraw/zinc/60/01/20/553600120.db2.gz XRCPCVBVTBZZPJ-UHFFFAOYSA-N 0 3 350.375 2.334 20 5 FEBDHN CNS(=O)(=O)c1ccc(N[C@@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301069928 553618884 /nfs/dbraw/zinc/61/88/84/553618884.db2.gz FHEOGOUHEBVLSS-STQMWFEESA-N 0 3 370.475 2.035 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301288950 553639652 /nfs/dbraw/zinc/63/96/52/553639652.db2.gz MWEQLYWUDZYNNE-CQSZACIVSA-N 0 3 371.441 2.337 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302169206 553708098 /nfs/dbraw/zinc/70/80/98/553708098.db2.gz LDXXHOBATSCCNY-BLLLJJGKSA-N 0 3 355.398 2.021 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000330433054 554121102 /nfs/dbraw/zinc/12/11/02/554121102.db2.gz KRIOVOYZAWEKKU-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000509623545 561807784 /nfs/dbraw/zinc/80/77/84/561807784.db2.gz YANFPOIRZYVZGC-CYBMUJFWSA-N 0 3 364.373 2.389 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702481 554668749 /nfs/dbraw/zinc/66/87/49/554668749.db2.gz UGHJRFRQQDTYOP-AWEZNQCLSA-N 0 3 358.446 2.224 20 5 FEBDHN Cc1cc(C2=CCN([C@H](C)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000362002943 554943297 /nfs/dbraw/zinc/94/32/97/554943297.db2.gz KGPMQJYIOYAZNU-OAHLLOKOSA-N 0 3 360.458 2.295 20 5 FEBDHN CC1(CN2CCOCC2)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362305373 554962024 /nfs/dbraw/zinc/96/20/24/554962024.db2.gz KTMNGJJOZFJWCR-GOSISDBHSA-N 0 3 363.458 2.063 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000364198204 555267883 /nfs/dbraw/zinc/26/78/83/555267883.db2.gz XGVKXTGAYQQJCL-HZPDHXFCSA-N 0 3 374.328 2.209 20 5 FEBDHN O=C1Nc2ccccc2[C@@]12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451232 555316729 /nfs/dbraw/zinc/31/67/29/555316729.db2.gz XMDLDGNAIYCKNU-HKUYNNGSSA-N 0 3 353.378 2.224 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1cccs1 ZINC000364965463 555452232 /nfs/dbraw/zinc/45/22/32/555452232.db2.gz UBDFUXHIWAKBKA-YGRLFVJLSA-N 0 3 361.427 2.056 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@H]2CCOC2)CC1 ZINC000365047757 555472999 /nfs/dbraw/zinc/47/29/99/555472999.db2.gz YELBKDFZHFJPQF-JKSUJKDBSA-N 0 3 350.415 2.083 20 5 FEBDHN COCCCN1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000365410850 555568217 /nfs/dbraw/zinc/56/82/17/555568217.db2.gz GNEAWNURUHQMHK-UHFFFAOYSA-N 0 3 350.419 2.479 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000365819893 555674779 /nfs/dbraw/zinc/67/47/79/555674779.db2.gz LBIIJPYHXPQAAX-HNNXBMFYSA-N 0 3 364.377 2.007 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000366648077 555898703 /nfs/dbraw/zinc/89/87/03/555898703.db2.gz XYWAEZIXNQFQNG-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244661 561965534 /nfs/dbraw/zinc/96/55/34/561965534.db2.gz LTMKNDWVLPLRLM-UTUOFQBUSA-N 0 3 367.402 2.108 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651924 556105666 /nfs/dbraw/zinc/10/56/66/556105666.db2.gz YDEAFMHIPPKOAK-RHSMWYFYSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368233829 556255072 /nfs/dbraw/zinc/25/50/72/556255072.db2.gz HHVVXAYYLYMMTM-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664828 556378821 /nfs/dbraw/zinc/37/88/21/556378821.db2.gz YUEZPSIPGNXHGQ-HOCLYGCPSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664828 556378823 /nfs/dbraw/zinc/37/88/23/556378823.db2.gz YUEZPSIPGNXHGQ-HOCLYGCPSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1ncc(CN2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976182 556465689 /nfs/dbraw/zinc/46/56/89/556465689.db2.gz UNUVHMLSRLBAAC-RISCZKNCSA-N 0 3 364.475 2.093 20 5 FEBDHN Cc1ncc(CN2CC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976183 556465733 /nfs/dbraw/zinc/46/57/33/556465733.db2.gz UNUVHMLSRLBAAC-SMDDNHRTSA-N 0 3 364.475 2.093 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369156089 556519315 /nfs/dbraw/zinc/51/93/15/556519315.db2.gz GBQZHQLZSVHTQJ-UHFFFAOYSA-N 0 3 374.485 2.156 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369157442 556520269 /nfs/dbraw/zinc/52/02/69/556520269.db2.gz NGGUBEDMAHFNQJ-UHFFFAOYSA-N 0 3 374.485 2.156 20 5 FEBDHN CN1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253984 556551115 /nfs/dbraw/zinc/55/11/15/556551115.db2.gz JCDBRTFJTNFUMQ-GFCCVEGCSA-N 0 3 366.849 2.147 20 5 FEBDHN Cc1c(NC(=O)CCN2CCCC[C@@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369379604 556585444 /nfs/dbraw/zinc/58/54/44/556585444.db2.gz NBSATQQFVJLSLV-OAHLLOKOSA-N 0 3 372.429 2.378 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000369670099 556664108 /nfs/dbraw/zinc/66/41/08/556664108.db2.gz IYVWDUOJLMCVQG-UHFFFAOYSA-N 0 3 361.358 2.415 20 5 FEBDHN Cc1ccc(OC[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370059387 556769925 /nfs/dbraw/zinc/76/99/25/556769925.db2.gz HXRKNHYDDWETPJ-MRXNPFEDSA-N 0 3 360.414 2.177 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000370094323 556778980 /nfs/dbraw/zinc/77/89/80/556778980.db2.gz XTDHLWKYEVWZBK-ZDUSSCGKSA-N 0 3 372.385 2.299 20 5 FEBDHN Nc1c(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000370156960 556796333 /nfs/dbraw/zinc/79/63/33/556796333.db2.gz VGGRSNVWBJLFJR-OAHLLOKOSA-N 0 3 369.425 2.214 20 5 FEBDHN CN(C)[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679344 562054183 /nfs/dbraw/zinc/05/41/83/562054183.db2.gz QIJATOFKKHVSTR-HIFRSBDPSA-N 0 3 365.455 2.289 20 5 FEBDHN COCCCN1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000370539602 556903329 /nfs/dbraw/zinc/90/33/29/556903329.db2.gz MOVIKVWRSHFRAX-UHFFFAOYSA-N 0 3 373.251 2.301 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000370993825 557039644 /nfs/dbraw/zinc/03/96/44/557039644.db2.gz WZEMOWQBRLSMFU-PIIMJCKOSA-N 0 3 352.394 2.158 20 5 FEBDHN Cc1c([C@@H](C)NC[C@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283542 557130742 /nfs/dbraw/zinc/13/07/42/557130742.db2.gz LDIWWQKIUVKDCO-VQIMIIECSA-N 0 3 363.458 2.435 20 5 FEBDHN Cc1ccnc(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371794020 557295332 /nfs/dbraw/zinc/29/53/32/557295332.db2.gz CXFPOGCKOVPSLE-KRWDZBQOSA-N 0 3 372.425 2.313 20 5 FEBDHN CN1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000373289331 557665989 /nfs/dbraw/zinc/66/59/89/557665989.db2.gz QDXGEVMMCODEON-IAQYHMDHSA-N 0 3 361.427 2.288 20 5 FEBDHN CN(C)Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373307863 557669849 /nfs/dbraw/zinc/66/98/49/557669849.db2.gz LVBKKEYRBCNJIW-UHFFFAOYSA-N 0 3 357.414 2.330 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(OCC3CC3)CC2)c1 ZINC000374120525 557826915 /nfs/dbraw/zinc/82/69/15/557826915.db2.gz PLLMYTIXRCHQLD-MRXNPFEDSA-N 0 3 350.415 2.226 20 5 FEBDHN CN1CCC2(CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374848679 557940688 /nfs/dbraw/zinc/94/06/88/557940688.db2.gz XEEWJIOCVBTGNX-UHFFFAOYSA-N 0 3 367.471 2.027 20 5 FEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000374906015 557948931 /nfs/dbraw/zinc/94/89/31/557948931.db2.gz BLPWOBDBDUYRHX-YOEHRIQHSA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)c1F ZINC000375163883 557985772 /nfs/dbraw/zinc/98/57/72/557985772.db2.gz ZBAORPJHNFNQSW-UHFFFAOYSA-N 0 3 361.377 2.758 20 5 FEBDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598428 558054731 /nfs/dbraw/zinc/05/47/31/558054731.db2.gz NGNDAQNEBNHWJF-XPKDYRNWSA-N 0 3 360.414 2.042 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1Cn1ccnn1 ZINC000375828039 558085906 /nfs/dbraw/zinc/08/59/06/558085906.db2.gz ARNNNRVZXQKVMQ-MRXNPFEDSA-N 0 3 372.429 2.378 20 5 FEBDHN CNc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000521860140 562185006 /nfs/dbraw/zinc/18/50/06/562185006.db2.gz YBZYLUTWIMJPKT-LSDHHAIUSA-N 0 3 358.373 2.343 20 5 FEBDHN Cn1cc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCCN2C)cn1 ZINC000377693827 558399072 /nfs/dbraw/zinc/39/90/72/558399072.db2.gz CKWOITGVHFYSAO-DIFFPNOSSA-N 0 3 371.401 2.360 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862797 558437293 /nfs/dbraw/zinc/43/72/93/558437293.db2.gz ZEDZJFPIJLSEGV-GHMZBOCLSA-N 0 3 354.794 2.233 20 5 FEBDHN CCc1nn(C)c(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000378365281 558539499 /nfs/dbraw/zinc/53/94/99/558539499.db2.gz IZIKZZBWMOVBEU-VNHYZAJKSA-N 0 3 351.451 2.192 20 5 FEBDHN CCc1nn(C)c(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000378365278 558539979 /nfs/dbraw/zinc/53/99/79/558539979.db2.gz IZIKZZBWMOVBEU-GZBFAFLISA-N 0 3 351.451 2.192 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N(CCN1CCCC1)c1ccccc1 ZINC000523538468 562215022 /nfs/dbraw/zinc/21/50/22/562215022.db2.gz GQTPXJLQACTPNG-UHFFFAOYSA-N 0 3 357.414 2.310 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](O)c3ccccc3C2)c1 ZINC000378495750 558569680 /nfs/dbraw/zinc/56/96/80/558569680.db2.gz MLYHAZUWIMOACI-QFBILLFUSA-N 0 3 358.394 2.274 20 5 FEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1 ZINC000395426120 558622822 /nfs/dbraw/zinc/62/28/22/558622822.db2.gz OGYGNZZOWDHBLA-UHFFFAOYSA-N 0 3 369.425 2.357 20 5 FEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524700368 562232603 /nfs/dbraw/zinc/23/26/03/562232603.db2.gz BIKWEHNWAMXQEA-MRXNPFEDSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524775499 562234371 /nfs/dbraw/zinc/23/43/71/562234371.db2.gz YZQLFNOZFIZERV-SNVBAGLBSA-N 0 3 356.220 2.429 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000411218532 558854996 /nfs/dbraw/zinc/85/49/96/558854996.db2.gz YTGYCBCRHWJQHP-CQSZACIVSA-N 0 3 374.441 2.283 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2COCC[C@H]21 ZINC000411313146 558874689 /nfs/dbraw/zinc/87/46/89/558874689.db2.gz AADRBEYRJVFPAT-CZUORRHYSA-N 0 3 363.414 2.433 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000525493429 562249367 /nfs/dbraw/zinc/24/93/67/562249367.db2.gz ZXUGQYBRRADAGL-LJQANCHMSA-N 0 3 370.409 2.353 20 5 FEBDHN CC(C)(C)CNC(=O)C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411438434 558895105 /nfs/dbraw/zinc/89/51/05/558895105.db2.gz KFFZNCLTAQKILR-UHFFFAOYSA-N 0 3 364.446 2.454 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCc2c(cnn2C)C1 ZINC000411854419 558976565 /nfs/dbraw/zinc/97/65/65/558976565.db2.gz ORJDSGNRISQQBC-UHFFFAOYSA-N 0 3 357.414 2.414 20 5 FEBDHN COc1cc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411969245 558997067 /nfs/dbraw/zinc/99/70/67/558997067.db2.gz QEIWOGKKUZHEGV-IBGZPJMESA-N 0 3 355.394 2.232 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411973294 558997910 /nfs/dbraw/zinc/99/79/10/558997910.db2.gz XBHQQUFLSKNPFJ-LJQANCHMSA-N 0 3 355.394 2.232 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1F ZINC000412343914 559029290 /nfs/dbraw/zinc/02/92/90/559029290.db2.gz WPFUQEVICJDNBF-QWHCGFSZSA-N 0 3 365.405 2.370 20 5 FEBDHN Cc1cc(NCC2(N3CCOCC3)CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000413486690 559111619 /nfs/dbraw/zinc/11/16/19/559111619.db2.gz YLKQJLHMXUZHCO-UHFFFAOYSA-N 0 3 366.437 2.251 20 5 FEBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414480055 559167738 /nfs/dbraw/zinc/16/77/38/559167738.db2.gz ANHCQCSWALPADY-HNNXBMFYSA-N 0 3 373.409 2.391 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416308312 559304865 /nfs/dbraw/zinc/30/48/65/559304865.db2.gz QDPBGDALAWKZJU-UHFFFAOYSA-N 0 3 356.220 2.490 20 5 FEBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416512047 559319031 /nfs/dbraw/zinc/31/90/31/559319031.db2.gz OKSWFJBRYPKJNP-UHFFFAOYSA-N 0 3 369.365 2.232 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000416550680 559321172 /nfs/dbraw/zinc/32/11/72/559321172.db2.gz FXPXIUQKVDCNPZ-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1ccc(NC(=O)CN2CCNC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420399018 559485548 /nfs/dbraw/zinc/48/55/48/559485548.db2.gz HLARHYYWVMXVGU-SFHVURJKSA-N 0 3 370.409 2.188 20 5 FEBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449894 559487937 /nfs/dbraw/zinc/48/79/37/559487937.db2.gz GOQNSSTUJMJHLW-PSASIEDQSA-N 0 3 367.349 2.019 20 5 FEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2ccc(N3CCNCC3)cn2)n1 ZINC000423224270 559623161 /nfs/dbraw/zinc/62/31/61/559623161.db2.gz BOZZEBYTYRTOBJ-JKSUJKDBSA-N 0 3 371.445 2.192 20 5 FEBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423953266 559647827 /nfs/dbraw/zinc/64/78/27/559647827.db2.gz AYJJTCIPUFJODU-OAHLLOKOSA-N 0 3 371.393 2.358 20 5 FEBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429351048 559796609 /nfs/dbraw/zinc/79/66/09/559796609.db2.gz RQQWRHMIILKHQP-OAHLLOKOSA-N 0 3 372.429 2.112 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cc([N+](=O)[O-])c1 ZINC000434422380 559900163 /nfs/dbraw/zinc/90/01/63/559900163.db2.gz AMLZFGZZOCFXMZ-OAHLLOKOSA-N 0 3 361.398 2.128 20 5 FEBDHN CCOC(=O)CC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000434620633 559903866 /nfs/dbraw/zinc/90/38/66/559903866.db2.gz YQAXSLIQKCRKSP-UHFFFAOYSA-N 0 3 363.414 2.413 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1CCO ZINC000438651437 559981755 /nfs/dbraw/zinc/98/17/55/559981755.db2.gz JMJRPGXFZSULJD-AWEZNQCLSA-N 0 3 353.444 2.032 20 5 FEBDHN CCOC(=O)[C@@]1(COC)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000439485413 559995568 /nfs/dbraw/zinc/99/55/68/559995568.db2.gz SLEGVPAWDZOXAX-SFHVURJKSA-N 0 3 366.414 2.265 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446082310 560139668 /nfs/dbraw/zinc/13/96/68/560139668.db2.gz QHLYQDONGCLOEY-ZDUSSCGKSA-N 0 3 355.822 2.397 20 5 FEBDHN C[C@@H](NC1CC1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449070654 560214903 /nfs/dbraw/zinc/21/49/03/560214903.db2.gz LCAZVMVNOCRURI-SECBINFHSA-N 0 3 360.336 2.282 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000449099898 560215896 /nfs/dbraw/zinc/21/58/96/560215896.db2.gz PFLULRURGVCJHO-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000449518488 560232418 /nfs/dbraw/zinc/23/24/18/560232418.db2.gz AGRBIEHXUJNIDD-OKILXGFUSA-N 0 3 357.391 2.028 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN1CCN(C)C(C)(C)C1 ZINC000450503966 560264266 /nfs/dbraw/zinc/26/42/66/560264266.db2.gz YSOUXNWMFGBZKO-UHFFFAOYSA-N 0 3 373.457 2.011 20 5 FEBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000450790626 560273299 /nfs/dbraw/zinc/27/32/99/560273299.db2.gz YZUPQUPBBXSKMK-UHFFFAOYSA-N 0 3 370.413 2.420 20 5 FEBDHN COc1ccc(OCCN[C@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000451033478 560283772 /nfs/dbraw/zinc/28/37/72/560283772.db2.gz UMEDWOFJOLOVLF-GOSISDBHSA-N 0 3 362.382 2.185 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414362 560305649 /nfs/dbraw/zinc/30/56/49/560305649.db2.gz IFHCCORKGVCBRO-NXHRZFHOSA-N 0 3 359.426 2.109 20 5 FEBDHN CNc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000454161790 560432743 /nfs/dbraw/zinc/43/27/43/560432743.db2.gz FNHPHTKOGARAIX-UHFFFAOYSA-N 0 3 369.425 2.426 20 5 FEBDHN COCCCN1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454531947 560448465 /nfs/dbraw/zinc/44/84/65/560448465.db2.gz UJCXJFHEWHCSFG-AWEZNQCLSA-N 0 3 364.446 2.456 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000457128055 560551460 /nfs/dbraw/zinc/55/14/60/560551460.db2.gz RVXPMQZDOSUVAH-ZDUSSCGKSA-N 0 3 351.403 2.167 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459668759 560701023 /nfs/dbraw/zinc/70/10/23/560701023.db2.gz TWOMDLHEYRFUQK-ZDUSSCGKSA-N 0 3 362.352 2.472 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000467072579 560902904 /nfs/dbraw/zinc/90/29/04/560902904.db2.gz BQNLHEJMNZJMSJ-PWSUYJOCSA-N 0 3 361.489 2.458 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCC(=O)N(C)C)CC1 ZINC000470174214 560976082 /nfs/dbraw/zinc/97/60/82/560976082.db2.gz IZAMQPFVRCSMFB-SSZFMOIBSA-N 0 3 360.458 2.094 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@@H](O)CO)cc1 ZINC000470363906 560979462 /nfs/dbraw/zinc/97/94/62/560979462.db2.gz JQWDVFOTSNTTKJ-CYBMUJFWSA-N 0 3 352.774 2.483 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000471170104 560999643 /nfs/dbraw/zinc/99/96/43/560999643.db2.gz SSEMKUIAVIZWRU-ZDUSSCGKSA-N 0 3 371.397 2.496 20 5 FEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccccc2OCCO)n1 ZINC000472620035 561031223 /nfs/dbraw/zinc/03/12/23/561031223.db2.gz GXEWEVOLHTYVKI-CVEARBPZSA-N 0 3 360.414 2.436 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@@]1(C)CO ZINC000472633912 561031450 /nfs/dbraw/zinc/03/14/50/561031450.db2.gz UPNYVRWNBVMJIL-CXMBCZLWSA-N 0 3 351.403 2.071 20 5 FEBDHN COc1ccc(NC(=O)CCN[C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473178212 561043605 /nfs/dbraw/zinc/04/36/05/561043605.db2.gz PZYCEQDTWGYZOG-CQSZACIVSA-N 0 3 365.411 2.317 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2ccncc2C)cc1[N+](=O)[O-] ZINC000473996215 561063229 /nfs/dbraw/zinc/06/32/29/561063229.db2.gz WHZJKCWOBYMIPL-UHFFFAOYSA-N 0 3 359.382 2.182 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004448 561063298 /nfs/dbraw/zinc/06/32/98/561063298.db2.gz GOXZYOVEDAHONN-SSKCKEOISA-N 0 3 366.414 2.296 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350083 561071917 /nfs/dbraw/zinc/07/19/17/561071917.db2.gz AUHGNOWEISPFSO-YJBOKZPZSA-N 0 3 366.414 2.440 20 5 FEBDHN COC(=O)c1cc(N2CCC(OCCN(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000474786606 561082900 /nfs/dbraw/zinc/08/29/00/561082900.db2.gz ANRFAYMTZSMQST-UHFFFAOYSA-N 0 3 365.430 2.237 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475097280 561090327 /nfs/dbraw/zinc/09/03/27/561090327.db2.gz YUKSSYMNGBJKGQ-HOCLYGCPSA-N 0 3 366.414 2.130 20 5 FEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CCOC(C)C)CC1 ZINC000476211568 561113241 /nfs/dbraw/zinc/11/32/41/561113241.db2.gz VYBHXPJYWUCBDB-UHFFFAOYSA-N 0 3 364.446 2.256 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866800 562520165 /nfs/dbraw/zinc/52/01/65/562520165.db2.gz MSQAWPIIPKYAJG-ZDUSSCGKSA-N 0 3 373.413 2.155 20 5 FEBDHN CN(CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccncc1 ZINC000541858332 568028262 /nfs/dbraw/zinc/02/82/62/568028262.db2.gz ZORLCLYPTCZZJD-UHFFFAOYSA-N 0 3 369.425 2.165 20 5 FEBDHN COC(=O)c1cc(NC(=O)NC[C@@H]2CCCN(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000568823098 568229828 /nfs/dbraw/zinc/22/98/28/568229828.db2.gz CKUPEBQKLMYDRH-LBPRGKRZSA-N 0 3 364.402 2.153 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000569109337 568277691 /nfs/dbraw/zinc/27/76/91/568277691.db2.gz ZKDXULBLDAFNPG-DVNIYVAHSA-N 0 3 357.414 2.419 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736239786 598498581 /nfs/dbraw/zinc/49/85/81/598498581.db2.gz XVJWBBUVLKPPFK-XQQFMLRXSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736239786 598498583 /nfs/dbraw/zinc/49/85/83/598498583.db2.gz XVJWBBUVLKPPFK-XQQFMLRXSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736239786 598498584 /nfs/dbraw/zinc/49/85/84/598498584.db2.gz XVJWBBUVLKPPFK-XQQFMLRXSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736239786 598498586 /nfs/dbraw/zinc/49/85/86/598498586.db2.gz XVJWBBUVLKPPFK-XQQFMLRXSA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668332 599589523 /nfs/dbraw/zinc/58/95/23/599589523.db2.gz RRSRBDHPYDHNRV-QWRGUYRKSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668332 599589525 /nfs/dbraw/zinc/58/95/25/599589525.db2.gz RRSRBDHPYDHNRV-QWRGUYRKSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668332 599589527 /nfs/dbraw/zinc/58/95/27/599589527.db2.gz RRSRBDHPYDHNRV-QWRGUYRKSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668332 599589529 /nfs/dbraw/zinc/58/95/29/599589529.db2.gz RRSRBDHPYDHNRV-QWRGUYRKSA-N 0 3 368.401 2.218 20 5 FEBDHN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102643 674719477 /nfs/dbraw/zinc/71/94/77/674719477.db2.gz HWVFTOXANQWTMP-BXUZGUMPSA-N 0 3 355.366 2.002 20 5 FEBDHN CC(COC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813105181 674720159 /nfs/dbraw/zinc/72/01/59/674720159.db2.gz WQDFKBMHNLAAGU-BXKDBHETSA-N 0 3 358.803 2.064 20 5 FEBDHN CC(COC(=O)c1ccn(-c2ccc(Br)cc2)n1)[N+](=O)[O-] ZINC000816092172 675011045 /nfs/dbraw/zinc/01/10/45/675011045.db2.gz VFSQIRFODQCLEY-VIFPVBQESA-N 0 3 354.160 2.457 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000816950189 675089904 /nfs/dbraw/zinc/08/99/04/675089904.db2.gz MZKFCBOCARPTIF-PRHODGIISA-N 0 3 372.194 2.273 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000574087671 671200993 /nfs/dbraw/zinc/20/09/93/671200993.db2.gz QZJKHHRHEAQLEE-UHFFFAOYSA-N 0 3 363.336 2.264 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134980 675956345 /nfs/dbraw/zinc/95/63/45/675956345.db2.gz ICEHETOULDFPGK-KBPBESRZSA-N 0 3 355.460 2.397 20 5 FEBDHN CN1CCN(CCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000582007910 671958682 /nfs/dbraw/zinc/95/86/82/671958682.db2.gz POZAMKCHGWJCPQ-HNNXBMFYSA-N 0 3 360.380 2.425 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000610768610 675995624 /nfs/dbraw/zinc/99/56/24/675995624.db2.gz AAYVNLHEVVTYSY-OAHLLOKOSA-N 0 3 365.455 2.056 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590589140 672593333 /nfs/dbraw/zinc/59/33/33/672593333.db2.gz MDOYPANPZNEPBM-MFKMUULPSA-N 0 3 361.851 2.270 20 5 FEBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591586673 672692390 /nfs/dbraw/zinc/69/23/90/672692390.db2.gz HARIRFXHBLKSTI-CYBMUJFWSA-N 0 3 365.455 2.348 20 5 FEBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534728 672936171 /nfs/dbraw/zinc/93/61/71/672936171.db2.gz RJWZHERYLZHWSD-UMVBOHGHSA-N 0 3 368.459 2.016 20 5 FEBDHN COC(=O)c1c(Cl)c(NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000596063777 673354908 /nfs/dbraw/zinc/35/49/08/673354908.db2.gz XQMBTYHIQUKZOH-UHFFFAOYSA-N 0 3 370.837 2.084 20 5 FEBDHN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000732213510 673357653 /nfs/dbraw/zinc/35/76/53/673357653.db2.gz DVAPYEODVCMVBF-ZDUSSCGKSA-N 0 3 352.822 2.355 20 5 FEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246811 673481049 /nfs/dbraw/zinc/48/10/49/673481049.db2.gz QWQXONWCFPIPML-JQWIXIFHSA-N 0 3 356.329 2.104 20 5 FEBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540476420 673541553 /nfs/dbraw/zinc/54/15/53/673541553.db2.gz NMGHOXRSDQXYMF-QSJFSLAZSA-N 0 3 351.447 2.024 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000542911403 673614797 /nfs/dbraw/zinc/61/47/97/673614797.db2.gz CUSNLAZVGJHULQ-HNNXBMFYSA-N 0 3 351.403 2.073 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599071958 673631318 /nfs/dbraw/zinc/63/13/18/673631318.db2.gz CTUZFCGHDYAGDA-BRWVUGGUSA-N 0 3 367.471 2.422 20 5 FEBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000544847589 673736456 /nfs/dbraw/zinc/73/64/56/673736456.db2.gz KSMGLUMIDAJIPZ-MRXNPFEDSA-N 0 3 362.817 2.346 20 5 FEBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545864228 673778716 /nfs/dbraw/zinc/77/87/16/673778716.db2.gz XNFLHJRDHHZNFG-KRWDZBQOSA-N 0 3 367.471 2.139 20 5 FEBDHN C[C@H](NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967594 675247591 /nfs/dbraw/zinc/24/75/91/675247591.db2.gz WODVGMWXKNADBR-WFASDCNBSA-N 0 3 353.419 2.473 20 5 FEBDHN C[C@@H](NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967591 675247644 /nfs/dbraw/zinc/24/76/44/675247644.db2.gz WODVGMWXKNADBR-DOMZBBRYSA-N 0 3 353.419 2.473 20 5 FEBDHN CN(C)CCN(Cc1cccs1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826954477 675718522 /nfs/dbraw/zinc/71/85/22/675718522.db2.gz SGOXSXCNTWMWHW-INIZCTEOSA-N 0 3 363.439 2.280 20 5 FEBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000604505415 675805603 /nfs/dbraw/zinc/80/56/03/675805603.db2.gz ZGHAHPYHRIGYGG-ZYHUDNBSSA-N 0 3 353.806 2.368 20 5 FEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000765798538 680855784 /nfs/dbraw/zinc/85/57/84/680855784.db2.gz RIZLRGFDBXWQPI-GFCCVEGCSA-N 0 3 361.427 2.346 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000836541539 680481404 /nfs/dbraw/zinc/48/14/04/680481404.db2.gz GUGZOOXVQFSTAQ-RYUDHWBXSA-N 0 3 353.806 2.150 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CN(C/C(Cl)=C\Cl)C[C@H]2CC1 ZINC000946589097 681243970 /nfs/dbraw/zinc/24/39/70/681243970.db2.gz FYSDVPOSMHEONU-AYQNGGLBSA-N 0 3 362.257 2.141 20 5 FEBDHN CN(CCCNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584947 681411197 /nfs/dbraw/zinc/41/11/97/681411197.db2.gz PSLGATGZKATQTH-OAHLLOKOSA-N 0 3 353.419 2.475 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000776591551 681412505 /nfs/dbraw/zinc/41/25/05/681412505.db2.gz JSHCUWZMYXCTAB-ROUUACIJSA-N 0 3 350.415 2.288 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Cc2nccs2)C1 ZINC000934334832 681553981 /nfs/dbraw/zinc/55/39/81/681553981.db2.gz XLAAOOFNVGWABG-KGLIPLIRSA-N 0 3 363.439 2.356 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Cc2nccs2)C1 ZINC000934334834 681554048 /nfs/dbraw/zinc/55/40/48/681554048.db2.gz XLAAOOFNVGWABG-UONOGXRCSA-N 0 3 363.439 2.356 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](Cc3nccs3)C2)c1 ZINC000934337740 681554705 /nfs/dbraw/zinc/55/47/05/681554705.db2.gz USASEVHNFQOTJS-UKRRQHHQSA-N 0 3 363.439 2.356 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917908863 685535584 /nfs/dbraw/zinc/53/55/84/685535584.db2.gz KDYDLMFIRHVIMY-NEPJUHHUSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917908863 685535585 /nfs/dbraw/zinc/53/55/85/685535585.db2.gz KDYDLMFIRHVIMY-NEPJUHHUSA-N 0 3 359.835 2.153 20 5 FEBDHN Cn1nc(Br)cc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000785460862 682299106 /nfs/dbraw/zinc/29/91/06/682299106.db2.gz KBILTFTZVMSWOX-UHFFFAOYSA-N 0 3 355.192 2.259 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000790265622 682663486 /nfs/dbraw/zinc/66/34/86/682663486.db2.gz NNFBRECQIDGEBD-PWSUYJOCSA-N 0 3 369.805 2.310 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000855486213 682675871 /nfs/dbraw/zinc/67/58/71/682675871.db2.gz JKZJXMZKYZCJFO-ZDUSSCGKSA-N 0 3 350.375 2.368 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791407113 682741344 /nfs/dbraw/zinc/74/13/44/682741344.db2.gz FOFVIIBDLYJJQD-UHFFFAOYSA-N 0 3 354.838 2.239 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOC3CCSCC3)C2)nc1 ZINC000929988455 683665738 /nfs/dbraw/zinc/66/57/38/683665738.db2.gz OBSKNSYBHAXVGJ-ZDUSSCGKSA-N 0 3 352.460 2.388 20 5 FEBDHN CN1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC2 ZINC000866055525 684067099 /nfs/dbraw/zinc/06/70/99/684067099.db2.gz XOUDEKLWBHOTPN-UHFFFAOYSA-N 0 3 367.471 2.311 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1F ZINC000866734547 684141911 /nfs/dbraw/zinc/14/19/11/684141911.db2.gz HEJQBSBPNDHLJB-UHFFFAOYSA-N 0 3 359.423 2.005 20 5 FEBDHN CCS(=O)(=O)N1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022087 684915938 /nfs/dbraw/zinc/91/59/38/684915938.db2.gz SXUJPZMLIUPRCF-LLVKDONJSA-N 0 3 359.423 2.199 20 5 FEBDHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135185 687003963 /nfs/dbraw/zinc/00/39/63/687003963.db2.gz RITXYLZJGCISHP-HUUCEWRRSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1c(C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164771720 721148282 /nfs/dbraw/zinc/14/82/82/721148282.db2.gz SRGKFOWIDORSPP-IRXDYDNUSA-N 0 3 370.457 2.298 20 5 FEBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907539 721552192 /nfs/dbraw/zinc/55/21/92/721552192.db2.gz OCUDDDXAOTZDLZ-ZBFHGGJFSA-N 0 3 373.388 2.053 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942223 210200046 /nfs/dbraw/zinc/20/00/46/210200046.db2.gz RKZCULSRISTJBM-UONOGXRCSA-N 0 3 362.430 2.101 20 5 FEBDHN CCCNC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042686975 540073921 /nfs/dbraw/zinc/07/39/21/540073921.db2.gz CWDBPCQLPACTLC-UHFFFAOYSA-N 0 3 362.430 2.162 20 5 FEBDHN CC(C)COC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000054326208 540583363 /nfs/dbraw/zinc/58/33/63/540583363.db2.gz DAVKKABOTVDKLH-MRXNPFEDSA-N 0 3 352.431 2.472 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000056786172 540745584 /nfs/dbraw/zinc/74/55/84/540745584.db2.gz DLUOZTHJOYZYPP-HUUCEWRRSA-N 0 3 363.462 2.426 20 5 FEBDHN CCOc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057715306 540810885 /nfs/dbraw/zinc/81/08/85/540810885.db2.gz WKMBTMABUCULRH-LLVKDONJSA-N 0 3 351.403 2.215 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000061502320 541131580 /nfs/dbraw/zinc/13/15/80/541131580.db2.gz CHBOISQPNDZENH-KRWDZBQOSA-N 0 3 371.441 2.361 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000062120299 541144611 /nfs/dbraw/zinc/14/46/11/541144611.db2.gz GGZSIXXPZDXOGP-KGLIPLIRSA-N 0 3 362.430 2.221 20 5 FEBDHN CC(C)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCCC1 ZINC000067123768 541420427 /nfs/dbraw/zinc/42/04/27/541420427.db2.gz FKFPHPSPXNPVPI-UHFFFAOYSA-N 0 3 372.429 2.170 20 5 FEBDHN COc1cc(OCC(=O)NC[C@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000067269317 541438212 /nfs/dbraw/zinc/43/82/12/541438212.db2.gz WHKZPYKPDUMAMP-AWEZNQCLSA-N 0 3 365.430 2.219 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000067398126 541457294 /nfs/dbraw/zinc/45/72/94/541457294.db2.gz JHUZDOPUHBNHOM-QWHCGFSZSA-N 0 3 362.430 2.078 20 5 FEBDHN COc1ccccc1C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075711443 542199921 /nfs/dbraw/zinc/19/99/21/542199921.db2.gz JEMHPXZOVVLOSW-YJBOKZPZSA-N 0 3 374.441 2.116 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079893471 542548257 /nfs/dbraw/zinc/54/82/57/542548257.db2.gz NKPPRURRHQURAW-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000092980381 542899649 /nfs/dbraw/zinc/89/96/49/542899649.db2.gz NIGBCMNASWKAAU-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093001787 542900984 /nfs/dbraw/zinc/90/09/84/542900984.db2.gz NLYWUUBAKWSAFW-OCCSQVGLSA-N 0 3 373.450 2.393 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113438301 543487800 /nfs/dbraw/zinc/48/78/00/543487800.db2.gz OJVTZAFZEMCXIH-ZDUSSCGKSA-N 0 3 372.425 2.431 20 5 FEBDHN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NC1CCN(C2CC2)CC1 ZINC000113775096 543496581 /nfs/dbraw/zinc/49/65/81/543496581.db2.gz SNKMORMYIJLITJ-UHFFFAOYSA-N 0 3 369.425 2.201 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000114376411 543511762 /nfs/dbraw/zinc/51/17/62/543511762.db2.gz PHZMNWBQRVUNMV-INIZCTEOSA-N 0 3 359.430 2.487 20 5 FEBDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123242653 543750814 /nfs/dbraw/zinc/75/08/14/543750814.db2.gz MWJODGDRVPSAKH-CYBMUJFWSA-N 0 3 363.439 2.396 20 5 FEBDHN CCN1CCC(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130807209 544165991 /nfs/dbraw/zinc/16/59/91/544165991.db2.gz ICQJNTTXSFSFPJ-UHFFFAOYSA-N 0 3 360.458 2.160 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132272882 544225147 /nfs/dbraw/zinc/22/51/47/544225147.db2.gz URUODEQLOLFBLO-NVXWUHKLSA-N 0 3 371.441 2.303 20 5 FEBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132624651 544238380 /nfs/dbraw/zinc/23/83/80/544238380.db2.gz MAZATZPDBODPFN-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN CN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000133797859 544283554 /nfs/dbraw/zinc/28/35/54/544283554.db2.gz JJJGBKSHUWVVKA-UHFFFAOYSA-N 0 3 356.220 2.064 20 5 FEBDHN COCCCN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134771190 544321014 /nfs/dbraw/zinc/32/10/14/544321014.db2.gz PWLVWGOFNIUIQO-UHFFFAOYSA-N 0 3 355.822 2.479 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134931177 544328587 /nfs/dbraw/zinc/32/85/87/544328587.db2.gz CDFKTMLOCNGRQX-UHFFFAOYSA-N 0 3 368.865 2.396 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136031381 544365386 /nfs/dbraw/zinc/36/53/86/544365386.db2.gz OFEOIFYGYHJDSG-AWEZNQCLSA-N 0 3 357.414 2.242 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000140023887 544406695 /nfs/dbraw/zinc/40/66/95/544406695.db2.gz ZYZDLSNGQUZGAX-CYBMUJFWSA-N 0 3 370.475 2.131 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151632617 544564886 /nfs/dbraw/zinc/56/48/86/544564886.db2.gz VOCLJXJXANLJLJ-AWEZNQCLSA-N 0 3 367.471 2.264 20 5 FEBDHN CC[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])N1CCCC1 ZINC000151920824 544595663 /nfs/dbraw/zinc/59/56/63/544595663.db2.gz APRSFMDHONOFSL-CYBMUJFWSA-N 0 3 370.475 2.131 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000153467687 544778924 /nfs/dbraw/zinc/77/89/24/544778924.db2.gz NONSEFNGJZDMPX-QGZVFWFLSA-N 0 3 367.471 2.375 20 5 FEBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007807 327756572 /nfs/dbraw/zinc/75/65/72/327756572.db2.gz LVJZGGLSTAEOEJ-DOMZBBRYSA-N 0 3 362.430 2.336 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000184206351 327856286 /nfs/dbraw/zinc/85/62/86/327856286.db2.gz WTGFURLMYSSFKG-ZDUSSCGKSA-N 0 3 371.434 2.291 20 5 FEBDHN COCCN1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188083791 328064794 /nfs/dbraw/zinc/06/47/94/328064794.db2.gz SQPAYLGMPQXGGH-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000189146939 328131193 /nfs/dbraw/zinc/13/11/93/328131193.db2.gz OWCQQJWPRGSMBM-LSDHHAIUSA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1C ZINC000189140635 328130817 /nfs/dbraw/zinc/13/08/17/328130817.db2.gz OLJNYSIJAKWQKS-UHFFFAOYSA-N 0 3 355.460 2.316 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189147759 328131392 /nfs/dbraw/zinc/13/13/92/328131392.db2.gz HGJGFCKTYBRWGI-ZIAGYGMSSA-N 0 3 355.460 2.135 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)n1 ZINC000191614643 328274052 /nfs/dbraw/zinc/27/40/52/328274052.db2.gz QIMOPVPEFPJDDZ-UHFFFAOYSA-N 0 3 363.393 2.154 20 5 FEBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191810608 328283254 /nfs/dbraw/zinc/28/32/54/328283254.db2.gz WYNKSYVCZDDTRY-CYBMUJFWSA-N 0 3 351.451 2.442 20 5 FEBDHN CC(C)[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940106 328347918 /nfs/dbraw/zinc/34/79/18/328347918.db2.gz TVZCCSLCIPYFNQ-ZWKOTPCHSA-N 0 3 361.442 2.445 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000193419604 328374255 /nfs/dbraw/zinc/37/42/55/328374255.db2.gz ITPGANZOWNMAFW-QGZVFWFLSA-N 0 3 367.409 2.459 20 5 FEBDHN COCCN1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000195103026 328456398 /nfs/dbraw/zinc/45/63/98/328456398.db2.gz MKBPFEBRBZUTOA-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1cccs1 ZINC000015171289 324381252 /nfs/dbraw/zinc/38/12/52/324381252.db2.gz XCEOESJCHFSSAZ-GFCCVEGCSA-N 0 3 370.456 2.019 20 5 FEBDHN COc1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456484 325254705 /nfs/dbraw/zinc/25/47/05/325254705.db2.gz VHTDLWDZRJHRKB-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090015386 325351653 /nfs/dbraw/zinc/35/16/53/325351653.db2.gz YBQMBQNODUJZRY-LSDHHAIUSA-N 0 3 367.471 2.432 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccncc2)CC1 ZINC000093191594 325437436 /nfs/dbraw/zinc/43/74/36/325437436.db2.gz QMBZCWYQBNSDFR-UHFFFAOYSA-N 0 3 370.409 2.401 20 5 FEBDHN CSC[C@@](C)(O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120680669 326278218 /nfs/dbraw/zinc/27/82/18/326278218.db2.gz QDVIHQKPNKTCDR-INIZCTEOSA-N 0 3 350.444 2.199 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121093273 326312679 /nfs/dbraw/zinc/31/26/79/326312679.db2.gz SWBONAYOYNASSM-AWEZNQCLSA-N 0 3 355.460 2.316 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000121286706 326327260 /nfs/dbraw/zinc/32/72/60/326327260.db2.gz BKJHYOCGALNOSJ-ZIAGYGMSSA-N 0 3 355.460 2.363 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1C ZINC000122389001 326394855 /nfs/dbraw/zinc/39/48/55/326394855.db2.gz MUSIXMJEYFMABT-ZBFHGGJFSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccccc1COC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000131253185 326571028 /nfs/dbraw/zinc/57/10/28/326571028.db2.gz OGHGWVPSEOBSOZ-SFHVURJKSA-N 0 3 374.441 2.142 20 5 FEBDHN COc1cc(S(=O)(=O)NCCN(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000150777848 326667626 /nfs/dbraw/zinc/66/76/26/326667626.db2.gz LVDJTFXDPSKRAT-UHFFFAOYSA-N 0 3 359.448 2.001 20 5 FEBDHN CS[C@H](CO)[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152488844 326708749 /nfs/dbraw/zinc/70/87/49/326708749.db2.gz LTVPPNBPBMHRIL-XHDPSFHLSA-N 0 3 350.444 2.197 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000153129983 326724614 /nfs/dbraw/zinc/72/46/14/326724614.db2.gz FTFQHTZFUPPOQK-UHFFFAOYSA-N 0 3 367.471 2.283 20 5 FEBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000170684664 327094007 /nfs/dbraw/zinc/09/40/07/327094007.db2.gz RJMSDALWWSHTTR-KRWDZBQOSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)cc1SC ZINC000171535361 327144851 /nfs/dbraw/zinc/14/48/51/327144851.db2.gz RAKVZSZVEDWAKB-UHFFFAOYSA-N 0 3 353.444 2.492 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000173260672 327244894 /nfs/dbraw/zinc/24/48/94/327244894.db2.gz IQGROOFXCAQVST-TZMCWYRMSA-N 0 3 355.460 2.254 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173829691 327287237 /nfs/dbraw/zinc/28/72/37/327287237.db2.gz LAOXYFNAQLSEKK-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175480953 327394993 /nfs/dbraw/zinc/39/49/93/327394993.db2.gz IDRDCYHVUKWHEV-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN COc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176677017 327469567 /nfs/dbraw/zinc/46/95/67/327469567.db2.gz BJAGQXOKMWZZGB-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980824 329178952 /nfs/dbraw/zinc/17/89/52/329178952.db2.gz YXSQRJHKRGRKHO-STQMWFEESA-N 0 3 365.430 2.462 20 5 FEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000266205662 329200281 /nfs/dbraw/zinc/20/02/81/329200281.db2.gz KRMSAPXBILTZEX-AWEZNQCLSA-N 0 3 369.425 2.190 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266351271 329214076 /nfs/dbraw/zinc/21/40/76/329214076.db2.gz XJPYMNOBPAEADE-OAHLLOKOSA-N 0 3 355.460 2.231 20 5 FEBDHN CCOc1cc(NC(=O)N(C)CCN(C)C)c([N+](=O)[O-])cc1OCC ZINC000267478227 329331494 /nfs/dbraw/zinc/33/14/94/329331494.db2.gz XKAVFAMYBWLZMT-UHFFFAOYSA-N 0 3 354.407 2.418 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524584 329335315 /nfs/dbraw/zinc/33/53/15/329335315.db2.gz RMWMYZUPILEEHP-WFASDCNBSA-N 0 3 357.414 2.409 20 5 FEBDHN COCCN(C)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268157075 329391330 /nfs/dbraw/zinc/39/13/30/329391330.db2.gz XPUZKTDYWKFUQT-UHFFFAOYSA-N 0 3 358.826 2.016 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1=O ZINC000270856302 329638641 /nfs/dbraw/zinc/63/86/41/329638641.db2.gz YSBHWQRIFSTWSJ-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN COc1cc(CNC[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272449671 329782201 /nfs/dbraw/zinc/78/22/01/329782201.db2.gz PKRGQSUXGUHYEZ-MFKMUULPSA-N 0 3 360.357 2.498 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)CN1 ZINC000272646646 329801254 /nfs/dbraw/zinc/80/12/54/329801254.db2.gz YKEOPZOODRWTEJ-SFYZADRCSA-N 0 3 360.183 2.319 20 5 FEBDHN CCO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458546 329866461 /nfs/dbraw/zinc/86/64/61/329866461.db2.gz QDEUPOFBJVEGTN-GJZGRUSLSA-N 0 3 356.444 2.162 20 5 FEBDHN CCO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486765 329868857 /nfs/dbraw/zinc/86/88/57/329868857.db2.gz VWCSSUWENFWGTJ-HOTGVXAUSA-N 0 3 368.455 2.306 20 5 FEBDHN COc1ccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000273512698 329870723 /nfs/dbraw/zinc/87/07/23/329870723.db2.gz OAWLCGLRAKINLJ-ZBFHGGJFSA-N 0 3 365.455 2.255 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157130183 545703352 /nfs/dbraw/zinc/70/33/52/545703352.db2.gz NLLQNAVSYUPBRH-KDOFPFPSSA-N 0 3 369.425 2.337 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000157218647 545714257 /nfs/dbraw/zinc/71/42/57/545714257.db2.gz ALCZCVDCGBJSPP-UHFFFAOYSA-N 0 3 357.410 2.433 20 5 FEBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000158963892 545909185 /nfs/dbraw/zinc/90/91/85/545909185.db2.gz IOBXKVRVUDBTOL-OAHLLOKOSA-N 0 3 367.471 2.074 20 5 FEBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000160092855 546006819 /nfs/dbraw/zinc/00/68/19/546006819.db2.gz CCBXCZHHLNIUIF-UHFFFAOYSA-N 0 3 374.445 2.001 20 5 FEBDHN CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399904 561188996 /nfs/dbraw/zinc/18/89/96/561188996.db2.gz YCOPKDAZTDJVMX-HUUCEWRRSA-N 0 3 367.471 2.455 20 5 FEBDHN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217297 546572732 /nfs/dbraw/zinc/57/27/32/546572732.db2.gz XPSXTWCAXCLLHS-SKDRFNHKSA-N 0 3 362.386 2.475 20 5 FEBDHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000481829952 561243502 /nfs/dbraw/zinc/24/35/02/561243502.db2.gz MZBLZMMYPFELSH-AEFFLSMTSA-N 0 3 357.385 2.490 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCN(C)c3ccncc32)cc([N+](=O)[O-])c1F ZINC000180106897 547052221 /nfs/dbraw/zinc/05/22/21/547052221.db2.gz ANYSSNQMNDHSSP-UHFFFAOYSA-N 0 3 366.374 2.082 20 5 FEBDHN O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000180734643 547169078 /nfs/dbraw/zinc/16/90/78/547169078.db2.gz HHNSURSUXMCHCD-HDICACEKSA-N 0 3 365.389 2.212 20 5 FEBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181072266 547242785 /nfs/dbraw/zinc/24/27/85/547242785.db2.gz OBPNRKWXZAOJGR-UHFFFAOYSA-N 0 3 355.460 2.403 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2=O)c1 ZINC000181397875 547308378 /nfs/dbraw/zinc/30/83/78/547308378.db2.gz CBVKOCULLOCWFP-AWEZNQCLSA-N 0 3 370.409 2.234 20 5 FEBDHN CNc1c(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cccc1[N+](=O)[O-] ZINC000483378796 561275227 /nfs/dbraw/zinc/27/52/27/561275227.db2.gz FMRWETIFLHBQDL-CABCVRRESA-N 0 3 364.471 2.288 20 5 FEBDHN O=C(CCN1CCS[C@@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000181745820 547372809 /nfs/dbraw/zinc/37/28/09/547372809.db2.gz MIDCTNGZUAXHMG-LSDHHAIUSA-N 0 3 369.418 2.269 20 5 FEBDHN Cc1ccc(CN(CCO)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182518637 547506703 /nfs/dbraw/zinc/50/67/03/547506703.db2.gz NONXRGMFSYVFGJ-KRWDZBQOSA-N 0 3 360.410 2.137 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183652877 547695997 /nfs/dbraw/zinc/69/59/97/547695997.db2.gz OBYGFGHVDBAKPT-OAHLLOKOSA-N 0 3 353.419 2.319 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CCO)C2CCCCC2)cc1 ZINC000183709952 547705867 /nfs/dbraw/zinc/70/58/67/547705867.db2.gz ITZYBAMUOMDMLL-KRWDZBQOSA-N 0 3 370.471 2.289 20 5 FEBDHN COc1cc(CN2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184246752 547793966 /nfs/dbraw/zinc/79/39/66/547793966.db2.gz IZTOIOVPMTZGBW-UHFFFAOYSA-N 0 3 367.421 2.287 20 5 FEBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184807753 547881230 /nfs/dbraw/zinc/88/12/30/547881230.db2.gz AESGPLOGTUQJRD-UHFFFAOYSA-N 0 3 371.441 2.209 20 5 FEBDHN CCN1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194627966 548507595 /nfs/dbraw/zinc/50/75/95/548507595.db2.gz SBIYLTSPUKPQKQ-INIZCTEOSA-N 0 3 360.458 2.412 20 5 FEBDHN CSc1cccc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000486690077 561354390 /nfs/dbraw/zinc/35/43/90/561354390.db2.gz RUNJYBXJNDVULC-HNNXBMFYSA-N 0 3 355.485 2.484 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488046113 561381988 /nfs/dbraw/zinc/38/19/88/561381988.db2.gz UPQFNXUXXVBJGT-XJKSGUPXSA-N 0 3 364.446 2.202 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)COC[C@H]2CCCO2)C2CC2)cc1 ZINC000245910232 549017431 /nfs/dbraw/zinc/01/74/31/549017431.db2.gz VLOLPNIIFNQKBE-ZWKOTPCHSA-N 0 3 350.415 2.116 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488983874 561400965 /nfs/dbraw/zinc/40/09/65/561400965.db2.gz PUJIPVSMJBNOBT-CQSZACIVSA-N 0 3 364.446 2.240 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247161364 549292204 /nfs/dbraw/zinc/29/22/04/549292204.db2.gz UFMGSBOTGSGJTC-UONOGXRCSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000247335541 549320250 /nfs/dbraw/zinc/32/02/50/549320250.db2.gz HGGGPXOKZYKHJK-WCQYABFASA-N 0 3 373.862 2.353 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000247923381 549392323 /nfs/dbraw/zinc/39/23/23/549392323.db2.gz CGDKQXUJEYFJJM-CVEARBPZSA-N 0 3 367.471 2.026 20 5 FEBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCO[C@H]1C ZINC000489472065 561412394 /nfs/dbraw/zinc/41/23/94/561412394.db2.gz BVCZWGZEUTYOAJ-WMLDXEAASA-N 0 3 365.430 2.358 20 5 FEBDHN NC1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000489943419 561422884 /nfs/dbraw/zinc/42/28/84/561422884.db2.gz BNKYBRVLQPPZPM-UHFFFAOYSA-N 0 3 360.336 2.413 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H]2COCC[C@H]21 ZINC000268971352 550139295 /nfs/dbraw/zinc/13/92/95/550139295.db2.gz MXFOTBAECFWNNI-HZPDHXFCSA-N 0 3 365.455 2.438 20 5 FEBDHN COCCCN(CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271128227 550343399 /nfs/dbraw/zinc/34/33/99/550343399.db2.gz OCJICIOMWFYGQM-UHFFFAOYSA-N 0 3 362.430 2.480 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000271433940 550375108 /nfs/dbraw/zinc/37/51/08/550375108.db2.gz SCITVNPMFGOUJG-HOCLYGCPSA-N 0 3 371.441 2.453 20 5 FEBDHN C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000272099425 550422933 /nfs/dbraw/zinc/42/29/33/550422933.db2.gz LBGJSOJCQHAYBT-CYBMUJFWSA-N 0 3 358.398 2.421 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295007 550434953 /nfs/dbraw/zinc/43/49/53/550434953.db2.gz HSFJEUWCZJLNAS-RNCFNFMXSA-N 0 3 355.341 2.409 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000272551462 550457499 /nfs/dbraw/zinc/45/74/99/550457499.db2.gz CYJCTYSUUQNRHX-KXBFYZLASA-N 0 3 372.469 2.364 20 5 FEBDHN Cc1ccsc1[C@H](CO)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669570 561473702 /nfs/dbraw/zinc/47/37/02/561473702.db2.gz CDPHSUGUCPTMQI-STQMWFEESA-N 0 3 352.412 2.028 20 5 FEBDHN CC1CCN(CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277933561 550730512 /nfs/dbraw/zinc/73/05/12/550730512.db2.gz QZAUZPPAFILVLI-UHFFFAOYSA-N 0 3 360.418 2.002 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278827889 550826414 /nfs/dbraw/zinc/82/64/14/550826414.db2.gz UQXXSTHEGJCMLO-ZDUSSCGKSA-N 0 3 374.441 2.169 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496272251 561493308 /nfs/dbraw/zinc/49/33/08/561493308.db2.gz OADDNVYTRHXWHD-OAHLLOKOSA-N 0 3 357.414 2.445 20 5 FEBDHN CCCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000496274916 561493408 /nfs/dbraw/zinc/49/34/08/561493408.db2.gz ZWKWMMPECRMWBE-UHFFFAOYSA-N 0 3 360.414 2.322 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282028526 551171729 /nfs/dbraw/zinc/17/17/29/551171729.db2.gz ZOESGLVGLWUFNI-UHFFFAOYSA-N 0 3 363.462 2.359 20 5 FEBDHN CN1CCN(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1(C)C ZINC000282475001 551234405 /nfs/dbraw/zinc/23/44/05/551234405.db2.gz UZHJYIDNLHSDNH-UHFFFAOYSA-N 0 3 372.416 2.312 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000282852750 551277688 /nfs/dbraw/zinc/27/76/88/551277688.db2.gz SJPWAKJVOLHNFN-AWEZNQCLSA-N 0 3 365.430 2.224 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000284448579 551551273 /nfs/dbraw/zinc/55/12/73/551551273.db2.gz QTTFJNNGLBEKDY-GJZGRUSLSA-N 0 3 353.444 2.111 20 5 FEBDHN COc1ccc(C(=O)NCCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285336080 551740044 /nfs/dbraw/zinc/74/00/44/551740044.db2.gz UMVARLBUEPJGPA-LBPRGKRZSA-N 0 3 358.398 2.266 20 5 FEBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641966 551909639 /nfs/dbraw/zinc/90/96/39/551909639.db2.gz BHUHBAZUUWLAFC-GXTWGEPZSA-N 0 3 363.414 2.311 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000288128234 552096207 /nfs/dbraw/zinc/09/62/07/552096207.db2.gz KMXHUZOMBXQMLH-HOCLYGCPSA-N 0 3 374.441 2.235 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000288919318 552236089 /nfs/dbraw/zinc/23/60/89/552236089.db2.gz VNNIWCSLLVJIDX-NSHDSACASA-N 0 3 370.837 2.423 20 5 FEBDHN CN(C)[C@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCSC1 ZINC000500270803 561569261 /nfs/dbraw/zinc/56/92/61/561569261.db2.gz GYDHSESANUCTFS-LBPRGKRZSA-N 0 3 361.265 2.023 20 5 FEBDHN C[C@H](CO)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289519966 552334442 /nfs/dbraw/zinc/33/44/42/552334442.db2.gz NTPMWHUREMKHDG-BDAKNGLRSA-N 0 3 364.183 2.306 20 5 FEBDHN C[C@H](O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289549533 552339222 /nfs/dbraw/zinc/33/92/22/552339222.db2.gz QBTYCNTVJKEUHB-QMMMGPOBSA-N 0 3 350.156 2.060 20 5 FEBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000500412956 561572347 /nfs/dbraw/zinc/57/23/47/561572347.db2.gz FMVGTOWEAPVZIH-KRWDZBQOSA-N 0 3 358.398 2.498 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000291232694 552603943 /nfs/dbraw/zinc/60/39/43/552603943.db2.gz ITTFUMLGCAEUHE-TZMCWYRMSA-N 0 3 362.430 2.037 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292805591 552760268 /nfs/dbraw/zinc/76/02/68/552760268.db2.gz MRGCSJIZCLKUQN-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN CC(C)[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000293076324 552786626 /nfs/dbraw/zinc/78/66/26/552786626.db2.gz OLROWJGCSBVSLW-SFHVURJKSA-N 0 3 361.442 2.261 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[C@H]2C1 ZINC000293938889 552869664 /nfs/dbraw/zinc/86/96/64/552869664.db2.gz QQTGPVUGKJCRJY-JKSUJKDBSA-N 0 3 361.442 2.455 20 5 FEBDHN CSc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000294241292 552890455 /nfs/dbraw/zinc/89/04/55/552890455.db2.gz DXXRYGSFQZRJHE-ZDUSSCGKSA-N 0 3 363.443 2.381 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000294272434 552892938 /nfs/dbraw/zinc/89/29/38/552892938.db2.gz ZHTLAJCPKFJHMJ-UHFFFAOYSA-N 0 3 361.402 2.069 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778867 561605406 /nfs/dbraw/zinc/60/54/06/561605406.db2.gz WPEISYRFHCLSHM-IRXDYDNUSA-N 0 3 370.453 2.351 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295112700 552959972 /nfs/dbraw/zinc/95/99/72/552959972.db2.gz YLNYHLLQMOJYLT-LBPRGKRZSA-N 0 3 368.865 2.170 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296441316 553160122 /nfs/dbraw/zinc/16/01/22/553160122.db2.gz WOWOPQMYHCNBEA-VUCTXSBTSA-N 0 3 361.398 2.089 20 5 FEBDHN CC(C)(C)OC(=O)N1CCO[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296551884 553178443 /nfs/dbraw/zinc/17/84/43/553178443.db2.gz MYEVXZMABWWZKX-HNNXBMFYSA-N 0 3 351.403 2.320 20 5 FEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000296715390 553202141 /nfs/dbraw/zinc/20/21/41/553202141.db2.gz DOVARXPLLUFSQV-HNNXBMFYSA-N 0 3 362.430 2.160 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000298075649 553380870 /nfs/dbraw/zinc/38/08/70/553380870.db2.gz JTZSRRXUDIJCOH-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299026698 553505482 /nfs/dbraw/zinc/50/54/82/553505482.db2.gz RGDGNRZIHLYHMT-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN CC(C)(O)C(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000505575580 561674315 /nfs/dbraw/zinc/67/43/15/561674315.db2.gz SUESVOFIFXMTJT-UHFFFAOYSA-N 0 3 374.235 2.435 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000330925453 554189613 /nfs/dbraw/zinc/18/96/13/554189613.db2.gz UUCWCDSGQNQPTJ-AWEZNQCLSA-N 0 3 355.460 2.398 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000332440660 554446602 /nfs/dbraw/zinc/44/66/02/554446602.db2.gz CGEVCALGOHJAHJ-UHFFFAOYSA-N 0 3 359.423 2.147 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510720091 561844412 /nfs/dbraw/zinc/84/44/12/561844412.db2.gz LZORSWNXCSFVMA-UONOGXRCSA-N 0 3 353.444 2.041 20 5 FEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141082 554905883 /nfs/dbraw/zinc/90/58/83/554905883.db2.gz IJYFXULWXOKXSA-UKRRQHHQSA-N 0 3 357.414 2.045 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290413 554960909 /nfs/dbraw/zinc/96/09/09/554960909.db2.gz RODBERZZWFBKRK-DOMZBBRYSA-N 0 3 362.386 2.286 20 5 FEBDHN Cc1nnc(C2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)[nH]1 ZINC000363191859 555050030 /nfs/dbraw/zinc/05/00/30/555050030.db2.gz DERIVFGCAUAFIW-UHFFFAOYSA-N 0 3 369.385 2.451 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458203 555110834 /nfs/dbraw/zinc/11/08/34/555110834.db2.gz ZAWUNTMONOLGTD-RYUDHWBXSA-N 0 3 354.794 2.233 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000363732842 555174490 /nfs/dbraw/zinc/17/44/90/555174490.db2.gz DEHRGDDBHWNBPK-CVEARBPZSA-N 0 3 359.357 2.309 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653936 555364204 /nfs/dbraw/zinc/36/42/04/555364204.db2.gz WFPXIWUJQIKYEQ-SMDDNHRTSA-N 0 3 363.443 2.121 20 5 FEBDHN C[C@@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000512658892 561911627 /nfs/dbraw/zinc/91/16/27/561911627.db2.gz ATNOINRZRPOIAP-MGPQQGTHSA-N 0 3 355.460 2.287 20 5 FEBDHN C[C@@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000512658893 561911663 /nfs/dbraw/zinc/91/16/63/561911663.db2.gz ATNOINRZRPOIAP-RDBSUJKOSA-N 0 3 355.460 2.287 20 5 FEBDHN CCC[C@]1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000512869145 561918308 /nfs/dbraw/zinc/91/83/08/561918308.db2.gz ODEKWZHSBRWQDF-KRWDZBQOSA-N 0 3 352.387 2.195 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365496073 555590821 /nfs/dbraw/zinc/59/08/21/555590821.db2.gz TVGUNZYEYPIDDG-CQSZACIVSA-N 0 3 357.366 2.419 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000366200925 555779916 /nfs/dbraw/zinc/77/99/16/555779916.db2.gz YYXLXYGJGILHGU-INIZCTEOSA-N 0 3 374.441 2.152 20 5 FEBDHN O=C([C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657697 555901377 /nfs/dbraw/zinc/90/13/77/555901377.db2.gz SEJQKAXKGUHJBY-AEFFLSMTSA-N 0 3 361.442 2.353 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208769 561963875 /nfs/dbraw/zinc/96/38/75/561963875.db2.gz OODOPUHLUYTODG-GFCCVEGCSA-N 0 3 373.356 2.037 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000514573266 561967244 /nfs/dbraw/zinc/96/72/44/561967244.db2.gz HCHPMNPJPNRZGV-OAHLLOKOSA-N 0 3 357.366 2.356 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000368034399 556200094 /nfs/dbraw/zinc/20/00/94/556200094.db2.gz FEMHCCROYKTVCM-UOIKSKOESA-N 0 3 352.394 2.037 20 5 FEBDHN Cn1ccnc1[C@H](N[C@@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105539 556220332 /nfs/dbraw/zinc/22/03/32/556220332.db2.gz TUCLQPDXZGLHSJ-CXAGYDPISA-N 0 3 352.398 2.288 20 5 FEBDHN Cn1ccnc1[C@H](N[C@@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105539 556220333 /nfs/dbraw/zinc/22/03/33/556220333.db2.gz TUCLQPDXZGLHSJ-CXAGYDPISA-N 0 3 352.398 2.288 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000369174841 556525233 /nfs/dbraw/zinc/52/52/33/556525233.db2.gz RTEVYPBSJSNWQG-UHFFFAOYSA-N 0 3 359.473 2.153 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928981 556733446 /nfs/dbraw/zinc/73/34/46/556733446.db2.gz GBAQPGZPIWEXGJ-HOCLYGCPSA-N 0 3 369.425 2.444 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000516858639 562061057 /nfs/dbraw/zinc/06/10/57/562061057.db2.gz RJDVDQABBGPHLE-HNNXBMFYSA-N 0 3 357.414 2.348 20 5 FEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516866702 562061464 /nfs/dbraw/zinc/06/14/64/562061464.db2.gz LWKGIWZNOKXOHY-JTQLQIEISA-N 0 3 369.365 2.409 20 5 FEBDHN CC(C)[C@@](C)(CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000516919666 562064696 /nfs/dbraw/zinc/06/46/96/562064696.db2.gz QCSIETHAJAXSOC-CQSZACIVSA-N 0 3 374.235 2.292 20 5 FEBDHN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371334602 557150740 /nfs/dbraw/zinc/15/07/40/557150740.db2.gz HAYGBLFNUHERLE-PBHICJAKSA-N 0 3 350.438 2.192 20 5 FEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000371352427 557156889 /nfs/dbraw/zinc/15/68/89/557156889.db2.gz XJSZCBDIEBBTMS-SWLSCSKDSA-N 0 3 353.854 2.105 20 5 FEBDHN Cc1cn2c(n1)CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491995 557198908 /nfs/dbraw/zinc/19/89/08/557198908.db2.gz ZRCAUQKUKJZWMS-KGLIPLIRSA-N 0 3 357.414 2.340 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCCN2CC)cc([N+](=O)[O-])c1 ZINC000517641441 562094562 /nfs/dbraw/zinc/09/45/62/562094562.db2.gz PEZLTKFIRDUVDS-HNNXBMFYSA-N 0 3 363.414 2.376 20 5 FEBDHN COc1ccc(CNC(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000518378553 562110093 /nfs/dbraw/zinc/11/00/93/562110093.db2.gz YQEAEWOUPJVDNT-ZDUSSCGKSA-N 0 3 350.419 2.135 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518853613 562119924 /nfs/dbraw/zinc/11/99/24/562119924.db2.gz UYCWTMLXXUSWFS-UPJWGTAASA-N 0 3 363.414 2.420 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000519148666 562125909 /nfs/dbraw/zinc/12/59/09/562125909.db2.gz SZJQDYRXNQSEED-AWEZNQCLSA-N 0 3 360.414 2.259 20 5 FEBDHN CN(C)C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725222 557548035 /nfs/dbraw/zinc/54/80/35/557548035.db2.gz HCZGYPZUYVNUGG-AEFFLSMTSA-N 0 3 357.410 2.457 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373236760 557655966 /nfs/dbraw/zinc/65/59/66/557655966.db2.gz LAYIIPVPQAQYGW-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN COc1cccc(NC(=O)CCN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581453 557722158 /nfs/dbraw/zinc/72/21/58/557722158.db2.gz FDJKYXMLILNBLV-OAHLLOKOSA-N 0 3 373.413 2.466 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000373757803 557752795 /nfs/dbraw/zinc/75/27/95/557752795.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 0 3 362.474 2.204 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373762824 557753745 /nfs/dbraw/zinc/75/37/45/557753745.db2.gz YKQDRCHGHLRNQO-YJBOKZPZSA-N 0 3 362.474 2.061 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374298385 557860690 /nfs/dbraw/zinc/86/06/90/557860690.db2.gz UNRHRELPUMPKIL-YJBOKZPZSA-N 0 3 360.458 2.001 20 5 FEBDHN COc1ccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609944 557906595 /nfs/dbraw/zinc/90/65/95/557906595.db2.gz HCQMKZQUFXNEIG-IRXDYDNUSA-N 0 3 360.414 2.306 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1SC ZINC000375066556 557972983 /nfs/dbraw/zinc/97/29/83/557972983.db2.gz RWPQNRNQCBVEQR-RISCZKNCSA-N 0 3 365.455 2.492 20 5 FEBDHN O=C(NC[C@H]1NCCc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000375967804 558106940 /nfs/dbraw/zinc/10/69/40/558106940.db2.gz GCKKTGPWHVPQOA-MRXNPFEDSA-N 0 3 351.366 2.088 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@]2(CCCCO2)C1 ZINC000376468315 558176923 /nfs/dbraw/zinc/17/69/23/558176923.db2.gz JZQASFZADKDXBQ-CRAIPNDOSA-N 0 3 350.415 2.370 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603877 558592343 /nfs/dbraw/zinc/59/23/43/558592343.db2.gz FDTZJOBXGXOLBF-GOEBONIOSA-N 0 3 371.441 2.311 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603879 558592502 /nfs/dbraw/zinc/59/25/02/558592502.db2.gz FDTZJOBXGXOLBF-ZBFHGGJFSA-N 0 3 371.441 2.311 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000411211565 558853859 /nfs/dbraw/zinc/85/38/59/558853859.db2.gz IGTFEKAMGUVCQT-AWEZNQCLSA-N 0 3 374.441 2.283 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411317741 558875587 /nfs/dbraw/zinc/87/55/87/558875587.db2.gz PDBWZGFXSCDUDD-CZUORRHYSA-N 0 3 363.414 2.433 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000411416145 558890952 /nfs/dbraw/zinc/89/09/52/558890952.db2.gz HHPGIEUBRYUDKA-UHFFFAOYSA-N 0 3 374.441 2.237 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553118 558916318 /nfs/dbraw/zinc/91/63/18/558916318.db2.gz ICLMYRBHQKDZOY-HACGYAERSA-N 0 3 374.441 2.030 20 5 FEBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000411655728 558937003 /nfs/dbraw/zinc/93/70/03/558937003.db2.gz MKVMXJBOHHXSPV-DZGCQCFKSA-N 0 3 351.403 2.049 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1F ZINC000412122669 559015645 /nfs/dbraw/zinc/01/56/45/559015645.db2.gz GRMNLQBLRWLOEK-AAEUAGOBSA-N 0 3 353.394 2.084 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178817 559018569 /nfs/dbraw/zinc/01/85/69/559018569.db2.gz UBMUUUOSTWIBDG-AYOQOUSVSA-N 0 3 374.485 2.088 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000412282770 559024723 /nfs/dbraw/zinc/02/47/23/559024723.db2.gz BUUFTYWGBDMVNJ-DLBZAZTESA-N 0 3 369.425 2.800 20 5 FEBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1OCC[NH+](C)C ZINC000412415364 559034069 /nfs/dbraw/zinc/03/40/69/559034069.db2.gz JNMPGEBVCXOAKV-UHFFFAOYSA-N 0 3 360.370 2.197 20 5 FEBDHN COc1ccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)cc1[N+](=O)[O-] ZINC000415975974 559286496 /nfs/dbraw/zinc/28/64/96/559286496.db2.gz QFURNQWPRNWLRQ-UHFFFAOYSA-N 0 3 372.381 2.407 20 5 FEBDHN N[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000417227154 559353951 /nfs/dbraw/zinc/35/39/51/559353951.db2.gz LLTGHZHAILWLJP-ZWKOTPCHSA-N 0 3 354.410 2.274 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420292292 559479068 /nfs/dbraw/zinc/47/90/68/559479068.db2.gz LQAXRGCEBKRQDZ-JKSUJKDBSA-N 0 3 360.458 2.108 20 5 FEBDHN CCc1ccccc1[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467472 559489075 /nfs/dbraw/zinc/48/90/75/559489075.db2.gz SPLLGKLJQKHKSV-GFCCVEGCSA-N 0 3 355.441 2.197 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000421796422 559553724 /nfs/dbraw/zinc/55/37/24/559553724.db2.gz OITLGLSLYGNTLB-AEFFLSMTSA-N 0 3 374.485 2.310 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000424443115 559665124 /nfs/dbraw/zinc/66/51/24/559665124.db2.gz BGALYVWXKJVIOU-ZDUSSCGKSA-N 0 3 370.409 2.486 20 5 FEBDHN NC(=O)c1cccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272634 559694275 /nfs/dbraw/zinc/69/42/75/559694275.db2.gz HDLDQWRDZSIBMN-MAUKXSAKSA-N 0 3 366.421 2.404 20 5 FEBDHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000425290460 559694882 /nfs/dbraw/zinc/69/48/82/559694882.db2.gz XOHVZGOOMNDKSX-KBXCAEBGSA-N 0 3 358.442 2.361 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425498540 559705812 /nfs/dbraw/zinc/70/58/12/559705812.db2.gz GQMCEFPCKXYXAK-OAHLLOKOSA-N 0 3 358.402 2.160 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425504912 559706388 /nfs/dbraw/zinc/70/63/88/559706388.db2.gz XQAHCRWCBLKZHE-HNNXBMFYSA-N 0 3 358.402 2.160 20 5 FEBDHN CC1CCN(C[C@H](O)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426405260 559734057 /nfs/dbraw/zinc/73/40/57/559734057.db2.gz QHEVQLOVGOUCPF-QGZVFWFLSA-N 0 3 363.458 2.081 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[nH]2)CC1 ZINC000428318596 559773358 /nfs/dbraw/zinc/77/33/58/559773358.db2.gz LZWOWQNUMXHILY-UHFFFAOYSA-N 0 3 368.397 2.792 20 5 FEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180027 559853609 /nfs/dbraw/zinc/85/36/09/559853609.db2.gz TXRJDOXHQGUFOZ-DZGCQCFKSA-N 0 3 372.425 2.320 20 5 FEBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000432487892 559859614 /nfs/dbraw/zinc/85/96/14/559859614.db2.gz BBAWJHCQKZGLNS-UHFFFAOYSA-N 0 3 358.398 2.076 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433293706 559876011 /nfs/dbraw/zinc/87/60/11/559876011.db2.gz HDDOCLWQMASEFK-SFHVURJKSA-N 0 3 357.410 2.250 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433323234 559877094 /nfs/dbraw/zinc/87/70/94/559877094.db2.gz VPLNLHVAYXRDJN-BBRMVZONSA-N 0 3 350.806 2.295 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1 ZINC000436441390 559941660 /nfs/dbraw/zinc/94/16/60/559941660.db2.gz YBOHVJDNMIOTHS-CVEARBPZSA-N 0 3 365.455 2.397 20 5 FEBDHN CN(C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000438530837 559980175 /nfs/dbraw/zinc/98/01/75/559980175.db2.gz BXXZKAIHJWOCHN-UHFFFAOYSA-N 0 3 358.398 2.122 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000440079753 560004361 /nfs/dbraw/zinc/00/43/61/560004361.db2.gz PHCIBNFWRKFEEV-QGZVFWFLSA-N 0 3 371.503 2.423 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000440525765 560013759 /nfs/dbraw/zinc/01/37/59/560013759.db2.gz WDHQVYFLZKGBRR-KRWDZBQOSA-N 0 3 361.423 2.023 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318431 560144248 /nfs/dbraw/zinc/14/42/48/560144248.db2.gz BVUXIVKRBFURRF-MDZRGWNJSA-N 0 3 359.426 2.012 20 5 FEBDHN CC(C)(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 ZINC000447441308 560162433 /nfs/dbraw/zinc/16/24/33/560162433.db2.gz MWLXCBWTTPYFFP-KRWDZBQOSA-N 0 3 367.409 2.496 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448032186 560176334 /nfs/dbraw/zinc/17/63/34/560176334.db2.gz UQYPHTCYPFQTCQ-MRXNPFEDSA-N 0 3 363.462 2.426 20 5 FEBDHN CC(C)N1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000450149180 560252260 /nfs/dbraw/zinc/25/22/60/560252260.db2.gz VETJWJJDDHSVTR-SJCJKPOMSA-N 0 3 357.414 2.443 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCCN3CCCO)n2)cc1 ZINC000450596690 560267519 /nfs/dbraw/zinc/26/75/19/560267519.db2.gz NSYDJOSCNRUXNX-OAHLLOKOSA-N 0 3 362.455 2.977 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]21 ZINC000451480821 560309543 /nfs/dbraw/zinc/30/95/43/560309543.db2.gz RGBSKUMGLHFNGH-ZTFGCOKTSA-N 0 3 359.426 2.277 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451483940 560309721 /nfs/dbraw/zinc/30/97/21/560309721.db2.gz YVRPRORTBARDDR-VUCTXSBTSA-N 0 3 363.414 2.335 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451499583 560310601 /nfs/dbraw/zinc/31/06/01/560310601.db2.gz MCCVPBUGMLYZTC-JQAFLVLXSA-N 0 3 351.403 2.191 20 5 FEBDHN COC[C@H](C)OC[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549630 560314075 /nfs/dbraw/zinc/31/40/75/560314075.db2.gz PTJLHMAHDHFRHT-YXJHDRRASA-N 0 3 352.431 2.187 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598125 560316789 /nfs/dbraw/zinc/31/67/89/560316789.db2.gz NZBFHCYWRSPRFH-KSSFIOAISA-N 0 3 367.446 2.421 20 5 FEBDHN CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452785122 560373930 /nfs/dbraw/zinc/37/39/30/560373930.db2.gz QPBNUFRQWBDBDR-HNNXBMFYSA-N 0 3 363.458 2.469 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273285 560385076 /nfs/dbraw/zinc/38/50/76/560385076.db2.gz VOVSCFCLZKNKDG-ZBFHGGJFSA-N 0 3 351.447 2.491 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000455251770 560475619 /nfs/dbraw/zinc/47/56/19/560475619.db2.gz TWHAVAJDLOYXNT-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN CNc1nc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000456054604 560505542 /nfs/dbraw/zinc/50/55/42/560505542.db2.gz LEWPMILQWMHZHQ-OAHLLOKOSA-N 0 3 373.413 2.073 20 5 FEBDHN CN(C)Cc1cccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000457117836 560550404 /nfs/dbraw/zinc/55/04/04/560550404.db2.gz GIIRNLCDQDMTTJ-UHFFFAOYSA-N 0 3 369.425 2.014 20 5 FEBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458224118 560610042 /nfs/dbraw/zinc/61/00/42/560610042.db2.gz ZCFDFVNVIQXJOK-UHFFFAOYSA-N 0 3 363.443 2.297 20 5 FEBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000460899616 560754924 /nfs/dbraw/zinc/75/49/24/560754924.db2.gz BADBHTSWZFRWSO-UHFFFAOYSA-N 0 3 373.475 2.346 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000468477730 560930900 /nfs/dbraw/zinc/93/09/00/560930900.db2.gz FAEXKORFPXRQTA-MRXNPFEDSA-N 0 3 372.429 2.026 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCN1S(C)(=O)=O ZINC000468617735 560934199 /nfs/dbraw/zinc/93/41/99/560934199.db2.gz JAYMTWOXAGAIIB-RCBBPTIPSA-N 0 3 353.444 2.012 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccsc1 ZINC000473167778 561043397 /nfs/dbraw/zinc/04/33/97/561043397.db2.gz SRXXNFFSWQQVBO-AWEZNQCLSA-N 0 3 365.411 2.317 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000474358009 561071968 /nfs/dbraw/zinc/07/19/68/561071968.db2.gz VZJNNGDEHLIQLW-WMZOPIPTSA-N 0 3 366.414 2.177 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474357186 561072032 /nfs/dbraw/zinc/07/20/32/561072032.db2.gz PXLPYFCXZRSOAG-OAHLLOKOSA-N 0 3 372.377 2.240 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000477006947 561134164 /nfs/dbraw/zinc/13/41/64/561134164.db2.gz BACXNSBDZKPGOM-NHYWBVRUSA-N 0 3 363.443 2.203 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000531019312 562432119 /nfs/dbraw/zinc/43/21/19/562432119.db2.gz QSQUORWVXXEYFY-UHFFFAOYSA-N 0 3 358.398 2.142 20 5 FEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCNc1ccncc1 ZINC000533816334 562519026 /nfs/dbraw/zinc/51/90/26/562519026.db2.gz TVIHIXWDSQMUPI-UHFFFAOYSA-N 0 3 357.414 2.146 20 5 FEBDHN CN1CCC2(CCCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000535082411 562550742 /nfs/dbraw/zinc/55/07/42/562550742.db2.gz VDFVSQFTLSEELJ-UHFFFAOYSA-N 0 3 362.430 2.243 20 5 FEBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602783 562616212 /nfs/dbraw/zinc/61/62/12/562616212.db2.gz XBYMZSJXFCCGET-DOTOQJQBSA-N 0 3 362.430 2.426 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541814249 562620297 /nfs/dbraw/zinc/62/02/97/562620297.db2.gz DNTUULLVSCPGPY-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN COC(=O)C1CCN(CCCNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000546180579 562634764 /nfs/dbraw/zinc/63/47/64/562634764.db2.gz FBNKYIHTGIANNZ-UHFFFAOYSA-N 0 3 350.419 2.294 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1=O ZINC000546192637 562634918 /nfs/dbraw/zinc/63/49/18/562634918.db2.gz NTSDHJWUPROORY-UHFFFAOYSA-N 0 3 369.381 2.052 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000570923903 568678292 /nfs/dbraw/zinc/67/82/92/568678292.db2.gz XYJPRBFNGMIRNS-GOEBONIOSA-N 0 3 367.471 2.262 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925098 568718397 /nfs/dbraw/zinc/71/83/97/568718397.db2.gz CGYMMNKNEFJXQV-SUYBPPKGSA-N 0 3 367.833 2.397 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925376 674428171 /nfs/dbraw/zinc/42/81/71/674428171.db2.gz RSQCPRCMSGNCFH-WBVHZDCISA-N 0 3 367.471 2.376 20 5 FEBDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419214 599361970 /nfs/dbraw/zinc/36/19/70/599361970.db2.gz FTIRWJUNDKXKIT-BDJLRTHQSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419214 599361972 /nfs/dbraw/zinc/36/19/72/599361972.db2.gz FTIRWJUNDKXKIT-BDJLRTHQSA-N 0 3 354.370 2.159 20 5 FEBDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000557849096 674470757 /nfs/dbraw/zinc/47/07/57/674470757.db2.gz HYQHFAQRRHEOIN-UHFFFAOYSA-N 0 3 355.460 2.481 20 5 FEBDHN CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820087295 606187626 /nfs/dbraw/zinc/18/76/26/606187626.db2.gz OWZZSMZOANTYPF-UHFFFAOYSA-N 0 3 370.417 2.130 20 5 FEBDHN CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820087295 606187628 /nfs/dbraw/zinc/18/76/28/606187628.db2.gz OWZZSMZOANTYPF-UHFFFAOYSA-N 0 3 370.417 2.130 20 5 FEBDHN CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820087295 606187630 /nfs/dbraw/zinc/18/76/30/606187630.db2.gz OWZZSMZOANTYPF-UHFFFAOYSA-N 0 3 370.417 2.130 20 5 FEBDHN CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820087295 606187631 /nfs/dbraw/zinc/18/76/31/606187631.db2.gz OWZZSMZOANTYPF-UHFFFAOYSA-N 0 3 370.417 2.130 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810180553 674535702 /nfs/dbraw/zinc/53/57/02/674535702.db2.gz BCHIXGXOTHAGSC-KRWDZBQOSA-N 0 3 353.394 2.432 20 5 FEBDHN COc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810182566 674535721 /nfs/dbraw/zinc/53/57/21/674535721.db2.gz WHVDWCKSIBAWFE-QGZVFWFLSA-N 0 3 353.394 2.432 20 5 FEBDHN COc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000559292186 674536278 /nfs/dbraw/zinc/53/62/78/674536278.db2.gz MVCWQJPKBJOABJ-AWEZNQCLSA-N 0 3 350.346 2.272 20 5 FEBDHN CC(COC(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000813102497 674719674 /nfs/dbraw/zinc/71/96/74/674719674.db2.gz GITZXZKVKLCKRW-SNVBAGLBSA-N 0 3 351.384 2.167 20 5 FEBDHN CC(COC(=O)/C=C\c1ccc(I)o1)[N+](=O)[O-] ZINC000813099721 674719118 /nfs/dbraw/zinc/71/91/18/674719118.db2.gz BGDDRYAJYBYAGB-GLCRXLCDSA-N 0 3 351.096 2.106 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[N+](=O)[O-] ZINC000813103083 674719414 /nfs/dbraw/zinc/71/94/14/674719414.db2.gz NBEGELGQCZJEGJ-QWHCGFSZSA-N 0 3 370.427 2.072 20 5 FEBDHN C[C@H]1CC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022298 674899748 /nfs/dbraw/zinc/89/97/48/674899748.db2.gz NVTFZHXSRODAEY-VIFPVBQESA-N 0 3 365.814 2.007 20 5 FEBDHN C[C@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022298 674899749 /nfs/dbraw/zinc/89/97/49/674899749.db2.gz NVTFZHXSRODAEY-VIFPVBQESA-N 0 3 365.814 2.007 20 5 FEBDHN Cc1cccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000065977961 670436031 /nfs/dbraw/zinc/43/60/31/670436031.db2.gz MFWTXPNSWSQZLM-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067271332 670456305 /nfs/dbraw/zinc/45/63/05/670456305.db2.gz XTKFXRAYPVMICK-LBPRGKRZSA-N 0 3 350.375 2.353 20 5 FEBDHN CC(C)(C)CC[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574519549 671249257 /nfs/dbraw/zinc/24/92/57/671249257.db2.gz SRPZXINURHCOOJ-ZDUSSCGKSA-N 0 3 358.460 2.145 20 5 FEBDHN C[C@H]1CN(CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000610542494 675979056 /nfs/dbraw/zinc/97/90/56/675979056.db2.gz ZYWIVHAAEBOVFC-KBPBESRZSA-N 0 3 351.451 2.044 20 5 FEBDHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000588973894 672497225 /nfs/dbraw/zinc/49/72/25/672497225.db2.gz KHANMDCOTNFHLF-CQSZACIVSA-N 0 3 369.487 2.477 20 5 FEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590752642 672610704 /nfs/dbraw/zinc/61/07/04/672610704.db2.gz PHCUJCWMCFJTCN-PWSUYJOCSA-N 0 3 355.778 2.118 20 5 FEBDHN CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000591955641 672726060 /nfs/dbraw/zinc/72/60/60/672726060.db2.gz LSPNVEPOJPSNCQ-OAHLLOKOSA-N 0 3 350.419 2.099 20 5 FEBDHN COC(=O)CC1(NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000593029761 672865401 /nfs/dbraw/zinc/86/54/01/672865401.db2.gz WEERRJNXMQITNO-UHFFFAOYSA-N 0 3 350.371 2.347 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595409195 673245488 /nfs/dbraw/zinc/24/54/88/673245488.db2.gz BDRRZRMGHBPMMC-CYBMUJFWSA-N 0 3 371.434 2.134 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000595409195 673245490 /nfs/dbraw/zinc/24/54/90/673245490.db2.gz BDRRZRMGHBPMMC-CYBMUJFWSA-N 0 3 371.434 2.134 20 5 FEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000733160767 673401013 /nfs/dbraw/zinc/40/10/13/673401013.db2.gz SNVIMDFHTLUXPD-AWEZNQCLSA-N 0 3 351.378 2.107 20 5 FEBDHN CS[C@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000539523875 673494593 /nfs/dbraw/zinc/49/45/93/673494593.db2.gz HIQFOXGNJNRODF-ZBFHGGJFSA-N 0 3 367.471 2.176 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610439 673590113 /nfs/dbraw/zinc/59/01/13/673590113.db2.gz BVQSOPWFICELMZ-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCN1CC(F)F)OCCO2 ZINC000598987296 673626566 /nfs/dbraw/zinc/62/65/66/673626566.db2.gz KGIGFSJFDYCTLM-LBPRGKRZSA-N 0 3 357.357 2.185 20 5 FEBDHN Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599073794 673631643 /nfs/dbraw/zinc/63/16/43/673631643.db2.gz RQDDGPSXOKLRPF-NWANDNLSSA-N 0 3 355.460 2.414 20 5 FEBDHN C[N@@H+]1CCCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412869 673672054 /nfs/dbraw/zinc/67/20/54/673672054.db2.gz PSRIQMBBWMGVTM-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN C[N@H+]1CCCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412869 673672055 /nfs/dbraw/zinc/67/20/55/673672055.db2.gz PSRIQMBBWMGVTM-NSHDSACASA-N 0 3 361.851 2.258 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1Br ZINC000602646495 673909149 /nfs/dbraw/zinc/90/91/49/673909149.db2.gz ZZBQFYPSRBHAKX-BDAKNGLRSA-N 0 3 365.249 2.153 20 5 FEBDHN O=C(CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000602987853 673914881 /nfs/dbraw/zinc/91/48/81/673914881.db2.gz TUZUQOGJSGPHSZ-WDEREUQCSA-N 0 3 361.320 2.026 20 5 FEBDHN CC(C)(C)OC(=O)NC/C=C\CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225036 675271245 /nfs/dbraw/zinc/27/12/45/675271245.db2.gz SIHIOTIFNWCZNO-XVWMLYKFSA-N 0 3 351.403 2.299 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000567381505 675288956 /nfs/dbraw/zinc/28/89/56/675288956.db2.gz YMAIPIPZPJQPQQ-UHFFFAOYSA-N 0 3 355.460 2.310 20 5 FEBDHN C[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587957 675304482 /nfs/dbraw/zinc/30/44/82/675304482.db2.gz DKYDAFWEIMBHGK-KWQFWETISA-N 0 3 362.167 2.466 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000821053025 675409891 /nfs/dbraw/zinc/40/98/91/675409891.db2.gz SSOYGSQVERKMNV-ZDUSSCGKSA-N 0 3 369.849 2.144 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000827474250 675758860 /nfs/dbraw/zinc/75/88/60/675758860.db2.gz VEWRGVHVIULERE-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000748151891 679934940 /nfs/dbraw/zinc/93/49/40/679934940.db2.gz SKPBRXFVLFQVKB-HNNXBMFYSA-N 0 3 352.460 2.334 20 5 FEBDHN COc1ccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1Cl ZINC001002789884 680508250 /nfs/dbraw/zinc/50/82/50/680508250.db2.gz XTNHQRLODUTCHS-UKRRQHHQSA-N 0 3 367.833 2.094 20 5 FEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758152543 680557701 /nfs/dbraw/zinc/55/77/01/680557701.db2.gz YKWOKZWHNMQEQP-CQSZACIVSA-N 0 3 351.378 2.107 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000769763367 680994299 /nfs/dbraw/zinc/99/42/99/680994299.db2.gz NSMMBDAEIOJCCJ-UHFFFAOYSA-N 0 3 365.503 2.297 20 5 FEBDHN CC([C@H](OC(=O)[C@H]1CCC[C@H](C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882265 681158939 /nfs/dbraw/zinc/15/89/39/681158939.db2.gz OBGHCUNLOIPYNV-YXMPFFBPSA-N 0 3 352.362 2.367 20 5 FEBDHN Cc1nnc(COCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883350 681159338 /nfs/dbraw/zinc/15/93/38/681159338.db2.gz SMNVDVPRLHPNGU-PSLIRLAXSA-N 0 3 369.374 2.452 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776497001 681396402 /nfs/dbraw/zinc/39/64/02/681396402.db2.gz BXLBRDXDOBFDEX-SWLSCSKDSA-N 0 3 374.846 2.074 20 5 FEBDHN CN1CCN(C)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000933990999 681493970 /nfs/dbraw/zinc/49/39/70/681493970.db2.gz VPISTWPPIKJLNC-UHFFFAOYSA-N 0 3 360.380 2.293 20 5 FEBDHN C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000913943917 685489713 /nfs/dbraw/zinc/48/97/13/685489713.db2.gz ZXVDTGKNLSDXAL-CJNGLKHVSA-N 0 3 353.444 2.061 20 5 FEBDHN CC[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000914226981 685499744 /nfs/dbraw/zinc/49/97/44/685499744.db2.gz DPJWLKCHVVBXDE-SJORKVTESA-N 0 3 367.471 2.451 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c1 ZINC000784724461 682248829 /nfs/dbraw/zinc/24/88/29/682248829.db2.gz PFEFVYJPEMRXJQ-GHMZBOCLSA-N 0 3 361.851 2.318 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790636175 682689996 /nfs/dbraw/zinc/68/99/96/682689996.db2.gz VPOSXLLMTFCDLP-GFCCVEGCSA-N 0 3 373.812 2.157 20 5 FEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)CC(F)(F)F ZINC000866388071 684097036 /nfs/dbraw/zinc/09/70/36/684097036.db2.gz AQFSHIDZPGRTKM-SECBINFHSA-N 0 3 372.340 2.232 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1F ZINC000867063800 684204624 /nfs/dbraw/zinc/20/46/24/684204624.db2.gz AOFXLKKKYUCAKF-LBPRGKRZSA-N 0 3 373.450 2.393 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c1 ZINC000867307588 684243491 /nfs/dbraw/zinc/24/34/91/684243491.db2.gz BVCNIMMAVSLRDS-QWRGUYRKSA-N 0 3 361.851 2.270 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000881440111 687134005 /nfs/dbraw/zinc/13/40/05/687134005.db2.gz TWXVFWGRVOIEAK-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882768006 687479645 /nfs/dbraw/zinc/47/96/45/687479645.db2.gz MBQTXCGVSHYQHA-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882769900 687481789 /nfs/dbraw/zinc/48/17/89/687481789.db2.gz QGDSISXXNITFNQ-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN C[C@@]1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892781112 689242971 /nfs/dbraw/zinc/24/29/71/689242971.db2.gz UZKOBBFEFOIMKG-MRXNPFEDSA-N 0 3 355.341 2.410 20 5 FEBDHN CN1C[C@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000896306523 689852990 /nfs/dbraw/zinc/85/29/90/689852990.db2.gz TVFMRGUCAKETDM-MRVPVSSYSA-N 0 3 362.249 2.377 20 5 FEBDHN Cn1nnc2c1C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000897347914 690010333 /nfs/dbraw/zinc/01/03/33/690010333.db2.gz WVFMNOMHKJDHFM-ZETCQYMHSA-N 0 3 372.248 2.194 20 5 FEBDHN O=[N+]([O-])c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901674 721511455 /nfs/dbraw/zinc/51/14/55/721511455.db2.gz XYBFFZRJSFCJBX-DOTOQJQBSA-N 0 3 358.373 2.471 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902110 721520578 /nfs/dbraw/zinc/52/05/78/721520578.db2.gz ZGLLPAZGMFXANQ-GOEBONIOSA-N 0 3 358.373 2.471 20 5 FEBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907536 721551573 /nfs/dbraw/zinc/55/15/73/721551573.db2.gz OCUDDDXAOTZDLZ-GDBMZVCRSA-N 0 3 373.388 2.053 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000012141059 539546047 /nfs/dbraw/zinc/54/60/47/539546047.db2.gz YQWRZMRZNHBWCT-UHFFFAOYSA-N 0 3 359.448 2.001 20 5 FEBDHN O=[N+]([O-])c1ccc(NCCN2CC=CCC2)nc1NCCN1CC=CCC1 ZINC000530377782 539956595 /nfs/dbraw/zinc/95/65/95/539956595.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 0 3 372.473 2.337 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044533242 540130026 /nfs/dbraw/zinc/13/00/26/540130026.db2.gz OTOWUGXZAGZXKO-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN CC(C)CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049969128 540395247 /nfs/dbraw/zinc/39/52/47/540395247.db2.gz GSNHNMOUQPOGNC-UHFFFAOYSA-N 0 3 354.838 2.460 20 5 FEBDHN C[N@H+](CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000052795266 540488851 /nfs/dbraw/zinc/48/88/51/540488851.db2.gz RXIFDLGADFAOIQ-UHFFFAOYSA-N 0 3 363.439 2.395 20 5 FEBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000052795266 540488853 /nfs/dbraw/zinc/48/88/53/540488853.db2.gz RXIFDLGADFAOIQ-UHFFFAOYSA-N 0 3 363.439 2.395 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000065769791 541260013 /nfs/dbraw/zinc/26/00/13/541260013.db2.gz QLANSJHWLAVMJZ-QGZVFWFLSA-N 0 3 357.414 2.135 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067164658 541427472 /nfs/dbraw/zinc/42/74/72/541427472.db2.gz XJXISPVZCAJYJE-AWEZNQCLSA-N 0 3 357.414 2.242 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000068178568 541558701 /nfs/dbraw/zinc/55/87/01/541558701.db2.gz CSNNITVYPSGWGN-MRXNPFEDSA-N 0 3 357.414 2.053 20 5 FEBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074448491 542085497 /nfs/dbraw/zinc/08/54/97/542085497.db2.gz PNBBIDDIZYTKQC-QGZVFWFLSA-N 0 3 371.441 2.304 20 5 FEBDHN CCO[C@H]1CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076405106 542274889 /nfs/dbraw/zinc/27/48/89/542274889.db2.gz UUOQNEXBOGUOGT-AWEZNQCLSA-N 0 3 351.403 2.433 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076893934 542328412 /nfs/dbraw/zinc/32/84/12/542328412.db2.gz MAEMBZGPYRSMFJ-UHFFFAOYSA-N 0 3 356.426 2.176 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCCCC1 ZINC000079282080 542510103 /nfs/dbraw/zinc/51/01/03/542510103.db2.gz XEXMENKUEQTOTC-AWEZNQCLSA-N 0 3 355.460 2.136 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000079721223 542538321 /nfs/dbraw/zinc/53/83/21/542538321.db2.gz RXQKBYCXOGQEKR-KRWDZBQOSA-N 0 3 371.441 2.005 20 5 FEBDHN Cn1cc(CN2CCC(n3cncn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092647581 542876557 /nfs/dbraw/zinc/87/65/57/542876557.db2.gz GEMSOJJCUDJIBV-UHFFFAOYSA-N 0 3 367.413 2.424 20 5 FEBDHN CN(C)Cc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000092980168 542899561 /nfs/dbraw/zinc/89/95/61/542899561.db2.gz FBNVAJKVPDOKQB-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000093019929 542902415 /nfs/dbraw/zinc/90/24/15/542902415.db2.gz WTCJZBAIHSMYPP-OCCSQVGLSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1C ZINC000247427700 549332829 /nfs/dbraw/zinc/33/28/29/549332829.db2.gz KWLFVIICBURVSJ-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN Cn1cc(CN2CCC(c3nnc[nH]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093645998 542936046 /nfs/dbraw/zinc/93/60/46/542936046.db2.gz QBQCEFKBWDGLJB-UHFFFAOYSA-N 0 3 367.413 2.493 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891890 543253130 /nfs/dbraw/zinc/25/31/30/543253130.db2.gz JWPPTIWNBCWCDK-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN Cn1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108306057 543285695 /nfs/dbraw/zinc/28/56/95/543285695.db2.gz FVDFJCPBDBLDFD-OAHLLOKOSA-N 0 3 369.425 2.209 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000108326772 543286379 /nfs/dbraw/zinc/28/63/79/543286379.db2.gz RIYVUOJZIQSSCU-JTQLQIEISA-N 0 3 373.356 2.276 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110355918 543355995 /nfs/dbraw/zinc/35/59/95/543355995.db2.gz DIXKJZFAWNCOOF-CQSZACIVSA-N 0 3 359.430 2.127 20 5 FEBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000110975313 543376404 /nfs/dbraw/zinc/37/64/04/543376404.db2.gz ITDVHJFCJORZPN-CYBMUJFWSA-N 0 3 351.451 2.267 20 5 FEBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000110975316 543376561 /nfs/dbraw/zinc/37/65/61/543376561.db2.gz ITDVHJFCJORZPN-ZDUSSCGKSA-N 0 3 351.451 2.267 20 5 FEBDHN CCCCN(C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000112466525 543447821 /nfs/dbraw/zinc/44/78/21/543447821.db2.gz WYBUJHCEERTUFI-UHFFFAOYSA-N 0 3 363.462 2.158 20 5 FEBDHN Cc1c(C(=O)NC[C@@H](CC(C)C)N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000114377237 543512032 /nfs/dbraw/zinc/51/20/32/543512032.db2.gz ZRKYKUOHGUCFRL-MRXNPFEDSA-N 0 3 374.445 2.190 20 5 FEBDHN CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000114645078 543527760 /nfs/dbraw/zinc/52/77/60/543527760.db2.gz DOQBOFVTQRMEKD-MRXNPFEDSA-N 0 3 371.441 2.307 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869733 543728483 /nfs/dbraw/zinc/72/84/83/543728483.db2.gz KJLSRYHFMVEZOK-RYUDHWBXSA-N 0 3 351.403 2.167 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000122895406 543730243 /nfs/dbraw/zinc/73/02/43/543730243.db2.gz OQPGGWCRNQBJFM-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN CN(C(=O)CN1CCC[C@H](Cc2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713653 543778559 /nfs/dbraw/zinc/77/85/59/543778559.db2.gz HNTNNEAEXSOQBV-OAHLLOKOSA-N 0 3 371.441 2.246 20 5 FEBDHN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCCN(C)C ZINC000125488988 543884637 /nfs/dbraw/zinc/88/46/37/543884637.db2.gz FWUUUOZSHSWJHM-UHFFFAOYSA-N 0 3 363.370 2.067 20 5 FEBDHN CCOC(=O)c1cc(NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000126068028 543916367 /nfs/dbraw/zinc/91/63/67/543916367.db2.gz CBBBORPNSIMLJN-HNNXBMFYSA-N 0 3 365.430 2.276 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000128559433 544059504 /nfs/dbraw/zinc/05/95/04/544059504.db2.gz CXHIMIKQRQIYIQ-HNNXBMFYSA-N 0 3 357.414 2.204 20 5 FEBDHN O=C(CCN[C@]1(CO)CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000129279483 544102430 /nfs/dbraw/zinc/10/24/30/544102430.db2.gz QZCLNRMIDNJURN-IBGZPJMESA-N 0 3 373.384 2.486 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000131466650 544191473 /nfs/dbraw/zinc/19/14/73/544191473.db2.gz UUDKRNDXUKXBNR-AWEZNQCLSA-N 0 3 367.471 2.500 20 5 FEBDHN COC(=O)[C@@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000131712577 544203240 /nfs/dbraw/zinc/20/32/40/544203240.db2.gz RRAJEAJOGISRTD-HNNXBMFYSA-N 0 3 373.409 2.068 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000131857158 544209329 /nfs/dbraw/zinc/20/93/29/544209329.db2.gz LALYJKHOAVXUPH-MRXNPFEDSA-N 0 3 371.441 2.304 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](COC)Cc1ccccc1 ZINC000132372545 544228930 /nfs/dbraw/zinc/22/89/30/544228930.db2.gz MKJIONUJSQIGPI-SFHVURJKSA-N 0 3 359.426 2.336 20 5 FEBDHN CC1CCN([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000133758946 544282029 /nfs/dbraw/zinc/28/20/29/544282029.db2.gz KNRSYBJDPFDZQI-QGZVFWFLSA-N 0 3 371.441 2.381 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000137567083 544391502 /nfs/dbraw/zinc/39/15/02/544391502.db2.gz BKICMUVXWBKUDV-LBPRGKRZSA-N 0 3 353.444 2.015 20 5 FEBDHN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000150876628 544482427 /nfs/dbraw/zinc/48/24/27/544482427.db2.gz DJZMFJKRPYZLMY-DZGCQCFKSA-N 0 3 356.430 2.456 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC(C[NH+](C)C)CC1 ZINC000151738851 544574580 /nfs/dbraw/zinc/57/45/80/544574580.db2.gz JJMFGBSIEKJDJG-UHFFFAOYSA-N 0 3 355.460 2.302 20 5 FEBDHN C[C@H](NC(C)(C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152322270 544638735 /nfs/dbraw/zinc/63/87/35/544638735.db2.gz PVGKGGTZPYHNEI-AWEZNQCLSA-N 0 3 374.445 2.220 20 5 FEBDHN C[C@](CO)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181905060 327751878 /nfs/dbraw/zinc/75/18/78/327751878.db2.gz KGSBIIUREDGLRF-QGZVFWFLSA-N 0 3 370.471 2.289 20 5 FEBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183346587 327812831 /nfs/dbraw/zinc/81/28/31/327812831.db2.gz VIVYUTJWAKXMTI-LLVKDONJSA-N 0 3 361.402 2.325 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000185773940 327932525 /nfs/dbraw/zinc/93/25/25/327932525.db2.gz KEYITQBPQVZLAA-HNNXBMFYSA-N 0 3 353.444 2.234 20 5 FEBDHN CCOC(=O)C[C@@](C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000186721115 327978165 /nfs/dbraw/zinc/97/81/65/327978165.db2.gz SIDBCQLQDURTHU-QGZVFWFLSA-N 0 3 351.403 2.151 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000553893505 674292689 /nfs/dbraw/zinc/29/26/89/674292689.db2.gz TZKHBSUHJRJRPK-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN CC(C)c1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000188136865 328068579 /nfs/dbraw/zinc/06/85/79/328068579.db2.gz HOELSJUOSAJMLF-OAHLLOKOSA-N 0 3 362.474 2.474 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)N(C)C ZINC000188208383 328073231 /nfs/dbraw/zinc/07/32/31/328073231.db2.gz BXKPDLBWSCPPLW-OAHLLOKOSA-N 0 3 373.475 2.248 20 5 FEBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1CC(C)(C)O ZINC000188897567 328116458 /nfs/dbraw/zinc/11/64/58/328116458.db2.gz GWPGQTVHOWVKHN-GFCCVEGCSA-N 0 3 373.400 2.473 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190023183 328183279 /nfs/dbraw/zinc/18/32/79/328183279.db2.gz RIYDYGPAQLVPKR-LSDHHAIUSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1[N+](=O)[O-] ZINC000190077910 328186022 /nfs/dbraw/zinc/18/60/22/328186022.db2.gz DGXUFSHFSXETKN-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN CN1C(=O)C[C@H](NCCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000192152398 328303015 /nfs/dbraw/zinc/30/30/15/328303015.db2.gz RXDKQCYFMJLUNC-XJKSGUPXSA-N 0 3 363.805 2.006 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000192805002 328340498 /nfs/dbraw/zinc/34/04/98/328340498.db2.gz OKGIFHMYDWNWDB-IBGZPJMESA-N 0 3 373.457 2.193 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000192867195 328344069 /nfs/dbraw/zinc/34/40/69/328344069.db2.gz YSDXOTGJXJMFLW-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN CC(C)(C)N1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193972230 328404657 /nfs/dbraw/zinc/40/46/57/328404657.db2.gz XCBSHFILMIJZPR-UHFFFAOYSA-N 0 3 355.460 2.277 20 5 FEBDHN CC(C)CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000039972120 324497060 /nfs/dbraw/zinc/49/70/60/324497060.db2.gz NOUYOVUHPHRLDU-UHFFFAOYSA-N 0 3 354.838 2.460 20 5 FEBDHN COc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])ccc1OCC(N)=O ZINC000237103518 328504696 /nfs/dbraw/zinc/50/46/96/328504696.db2.gz IWZPBWXBBSCVKT-GQCTYLIASA-N 0 3 371.393 2.271 20 5 FEBDHN CN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCCCC2)C1 ZINC000081597703 325187840 /nfs/dbraw/zinc/18/78/40/325187840.db2.gz ASDDBHVJOFASCR-UHFFFAOYSA-N 0 3 372.469 2.434 20 5 FEBDHN Nc1c(C(=O)NCC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000089393294 325314733 /nfs/dbraw/zinc/31/47/33/325314733.db2.gz BEVJMZLUVJADQN-UHFFFAOYSA-N 0 3 355.398 2.218 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000090015392 325351322 /nfs/dbraw/zinc/35/13/22/325351322.db2.gz YBQMBQNODUJZRY-CABCVRRESA-N 0 3 367.471 2.432 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000090015391 325351416 /nfs/dbraw/zinc/35/14/16/325351416.db2.gz YBQMBQNODUJZRY-HUUCEWRRSA-N 0 3 367.471 2.432 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@@H]1CCc2ccccc21 ZINC000090015316 325351602 /nfs/dbraw/zinc/35/16/02/325351602.db2.gz YEUDVZUMLLXCOX-OAHLLOKOSA-N 0 3 361.423 2.150 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCO)[C@H]1CCc2ccccc21 ZINC000090551813 325362853 /nfs/dbraw/zinc/36/28/53/325362853.db2.gz FNSSRFBNHSMLJZ-SFHVURJKSA-N 0 3 357.410 2.128 20 5 FEBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000116348543 326008599 /nfs/dbraw/zinc/00/85/99/326008599.db2.gz KIPWJYLTJBSQTA-RDJZCZTQSA-N 0 3 371.441 2.475 20 5 FEBDHN COCCOC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116885513 326039999 /nfs/dbraw/zinc/03/99/99/326039999.db2.gz GSVVZCQSCYMMME-UHFFFAOYSA-N 0 3 351.403 2.051 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(n2ccnc2)CC1 ZINC000117340887 326058264 /nfs/dbraw/zinc/05/82/64/326058264.db2.gz XRGVAUQCODTNGJ-UHFFFAOYSA-N 0 3 371.397 2.426 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCC(O)CC1 ZINC000118722932 326098730 /nfs/dbraw/zinc/09/87/30/326098730.db2.gz OLHCTCNWSSBMHK-ZDUSSCGKSA-N 0 3 367.471 2.038 20 5 FEBDHN O=C(CC1(N2CCOCC2)CCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000119212227 326137659 /nfs/dbraw/zinc/13/76/59/326137659.db2.gz XKRAOUMNUZJXBZ-UHFFFAOYSA-N 0 3 361.442 2.289 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000120616661 326273229 /nfs/dbraw/zinc/27/32/29/326273229.db2.gz CSDYSGUWPSCBDQ-TZMCWYRMSA-N 0 3 362.430 2.091 20 5 FEBDHN CCC(CC)(CNCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000120733248 326282850 /nfs/dbraw/zinc/28/28/50/326282850.db2.gz JCOCNLKBXXVLQI-UHFFFAOYSA-N 0 3 351.403 2.411 20 5 FEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120920882 326299033 /nfs/dbraw/zinc/29/90/33/326299033.db2.gz OEUNFMUHNOSKBY-IINYFYTJSA-N 0 3 350.375 2.224 20 5 FEBDHN COCCN1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000141514528 326665123 /nfs/dbraw/zinc/66/51/23/326665123.db2.gz ZOSCDZMIXHOYNS-UHFFFAOYSA-N 0 3 353.444 2.157 20 5 FEBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000171655237 327152615 /nfs/dbraw/zinc/15/26/15/327152615.db2.gz YMFOLTZTQAAMDB-UHFFFAOYSA-N 0 3 361.402 2.188 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173244184 327243638 /nfs/dbraw/zinc/24/36/38/327243638.db2.gz PTMOWNADTUXOSL-MFKMUULPSA-N 0 3 361.851 2.209 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173288892 327247460 /nfs/dbraw/zinc/24/74/60/327247460.db2.gz PRKSLGMPLYKDHJ-CSHXORCISA-N 0 3 372.469 2.237 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000173634031 327272514 /nfs/dbraw/zinc/27/25/14/327272514.db2.gz XFZVJTCMTGDNEX-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173988728 327300105 /nfs/dbraw/zinc/30/01/05/327300105.db2.gz JTHYAZULYPFSNA-LBPRGKRZSA-N 0 3 361.851 2.353 20 5 FEBDHN CN1CCN([C@H]2CCCCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881806 327358002 /nfs/dbraw/zinc/35/80/02/327358002.db2.gz NEDQCMOEKVLFFG-SFHVURJKSA-N 0 3 362.474 2.076 20 5 FEBDHN CC1(C)CCC[NH2+][C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261847802 328824088 /nfs/dbraw/zinc/82/40/88/328824088.db2.gz JEJWHRBZTNDUGZ-CYBMUJFWSA-N 0 3 361.851 2.305 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262836618 328893481 /nfs/dbraw/zinc/89/34/81/328893481.db2.gz WJAONUFFWURRSW-NWDGAFQWSA-N 0 3 353.444 2.045 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000266070374 329187208 /nfs/dbraw/zinc/18/72/08/329187208.db2.gz KYQPWHCBJGEBAN-UHFFFAOYSA-N 0 3 351.403 2.218 20 5 FEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1N(C)C ZINC000271584844 329705556 /nfs/dbraw/zinc/70/55/56/329705556.db2.gz FIIKBQDNGXIMPT-LSDHHAIUSA-N 0 3 366.443 2.033 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862878 329818877 /nfs/dbraw/zinc/81/88/77/329818877.db2.gz SEWVSVBIEFOTJJ-FZKQIMNGSA-N 0 3 374.441 2.277 20 5 FEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089797 329914850 /nfs/dbraw/zinc/91/48/50/329914850.db2.gz TYLLEFYHHNQXAG-UWVGGRQHSA-N 0 3 357.794 2.364 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275131092 330013653 /nfs/dbraw/zinc/01/36/53/330013653.db2.gz OOGXDPHZBXPBHV-LSDHHAIUSA-N 0 3 353.419 2.386 20 5 FEBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302547 330032684 /nfs/dbraw/zinc/03/26/84/330032684.db2.gz NASLBAQPXOAZKH-GFCCVEGCSA-N 0 3 372.429 2.351 20 5 FEBDHN CCc1n[n-]c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302547 330032686 /nfs/dbraw/zinc/03/26/86/330032686.db2.gz NASLBAQPXOAZKH-GFCCVEGCSA-N 0 3 372.429 2.351 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000275438704 330048864 /nfs/dbraw/zinc/04/88/64/330048864.db2.gz JYQYRUNTYWHXRZ-HNNXBMFYSA-N 0 3 351.403 2.025 20 5 FEBDHN COc1ccc(NC(=O)CN([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000276274745 330136118 /nfs/dbraw/zinc/13/61/18/330136118.db2.gz DIGBUGDXRWGTDX-LBPRGKRZSA-N 0 3 351.403 2.167 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276604605 330169293 /nfs/dbraw/zinc/16/92/93/330169293.db2.gz OUOTYCFYBHOQAN-UHFFFAOYSA-N 0 3 368.865 2.314 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000299697085 330199226 /nfs/dbraw/zinc/19/92/26/330199226.db2.gz OLVLWHILIAXMON-ZIAGYGMSSA-N 0 3 362.430 2.091 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C1CCN(C)CC1 ZINC000371457497 330243992 /nfs/dbraw/zinc/24/39/92/330243992.db2.gz IOOJZTBPQBWRDN-WHWKNOJMSA-N 0 3 372.469 2.235 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000159447349 545954082 /nfs/dbraw/zinc/95/40/82/545954082.db2.gz QEUXLLBMRDYFQV-CQSZACIVSA-N 0 3 361.402 2.139 20 5 FEBDHN COc1cc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)ccc1[N+](=O)[O-] ZINC000160294984 546027011 /nfs/dbraw/zinc/02/70/11/546027011.db2.gz WGXWEAOVJPLMJC-CYBMUJFWSA-N 0 3 371.459 2.002 20 5 FEBDHN Cc1c(CNC(=O)N2CCC(OCCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000480058196 561202193 /nfs/dbraw/zinc/20/21/93/561202193.db2.gz NBYOYOAXKOWGJD-UHFFFAOYSA-N 0 3 364.446 2.155 20 5 FEBDHN C[C@@H](CN1CCOCC1)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176228746 546422261 /nfs/dbraw/zinc/42/22/61/546422261.db2.gz RBSQKFWKRBQXLU-KRWDZBQOSA-N 0 3 373.457 2.014 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000176978643 546518296 /nfs/dbraw/zinc/51/82/96/546518296.db2.gz VLAWHTHMTDTQRS-UHFFFAOYSA-N 0 3 362.411 2.197 20 5 FEBDHN Cc1c([C@@H](C)NCCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000480661308 561213897 /nfs/dbraw/zinc/21/38/97/561213897.db2.gz ICBWAXXDUFCNOU-CYBMUJFWSA-N 0 3 360.414 2.418 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000480854663 561218334 /nfs/dbraw/zinc/21/83/34/561218334.db2.gz ONSLHWDRQPCNMS-KBPBESRZSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931091 546875738 /nfs/dbraw/zinc/87/57/38/546875738.db2.gz RSSBJORQGUUILE-QGZVFWFLSA-N 0 3 350.438 2.336 20 5 FEBDHN O=C([C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000179891247 547024761 /nfs/dbraw/zinc/02/47/61/547024761.db2.gz XXJNNFASJFUPRX-ZVVFDCPKSA-N 0 3 359.426 2.179 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000180479447 547114407 /nfs/dbraw/zinc/11/44/07/547114407.db2.gz VTQQNVRONNZIDF-LJQANCHMSA-N 0 3 369.421 2.482 20 5 FEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000181725751 547368490 /nfs/dbraw/zinc/36/84/90/547368490.db2.gz FUXAYRBZFSTTPX-MRXNPFEDSA-N 0 3 355.460 2.138 20 5 FEBDHN CN(CCOc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190428 547450152 /nfs/dbraw/zinc/45/01/52/547450152.db2.gz XVVVFVFXWAOSJC-OAHLLOKOSA-N 0 3 364.373 2.484 20 5 FEBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000182229909 547457046 /nfs/dbraw/zinc/45/70/46/547457046.db2.gz ZAWBHXKGGXVMKS-ZFWWWQNUSA-N 0 3 360.414 2.077 20 5 FEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2cccn2)c1 ZINC000183567920 547682084 /nfs/dbraw/zinc/68/20/84/547682084.db2.gz RRVHACXGCMKEFM-AWEZNQCLSA-N 0 3 353.382 2.293 20 5 FEBDHN Cc1sc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184196018 547784582 /nfs/dbraw/zinc/78/45/82/547784582.db2.gz NWJRDZLIZGBGKL-UHFFFAOYSA-N 0 3 354.476 2.111 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000184239683 547792846 /nfs/dbraw/zinc/79/28/46/547792846.db2.gz VFNNTRMWRHSXCV-CQSZACIVSA-N 0 3 355.460 2.136 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000184341187 547810256 /nfs/dbraw/zinc/81/02/56/547810256.db2.gz FQRATFKLVAYSHO-CYBMUJFWSA-N 0 3 366.487 2.073 20 5 FEBDHN COc1ccc(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000185099994 547934263 /nfs/dbraw/zinc/93/42/63/547934263.db2.gz RWVAICOIABBPQD-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN CC(C)CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185142440 547939669 /nfs/dbraw/zinc/93/96/69/547939669.db2.gz KONRRURHYWPUEX-UHFFFAOYSA-N 0 3 352.410 2.336 20 5 FEBDHN C[C@H](C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158719 547943866 /nfs/dbraw/zinc/94/38/66/547943866.db2.gz KAPMFRAAHZZARG-DZGCQCFKSA-N 0 3 367.421 2.407 20 5 FEBDHN COCCCN1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185169329 547945685 /nfs/dbraw/zinc/94/56/85/547945685.db2.gz LYQRXMVYKARBCT-CYBMUJFWSA-N 0 3 367.421 2.455 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179070 547946914 /nfs/dbraw/zinc/94/69/14/547946914.db2.gz NWKWMNUCDBMINL-GXTWGEPZSA-N 0 3 353.394 2.064 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000185435956 547984514 /nfs/dbraw/zinc/98/45/14/547984514.db2.gz TZICNXCOHVMEBR-AWEZNQCLSA-N 0 3 372.429 2.170 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000485596816 561323548 /nfs/dbraw/zinc/32/35/48/561323548.db2.gz UJSVDJLRLRYCAO-GFCCVEGCSA-N 0 3 366.393 2.451 20 5 FEBDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487953543 561379881 /nfs/dbraw/zinc/37/98/81/561379881.db2.gz RISSLKYOKDHZMR-HNNXBMFYSA-N 0 3 354.838 2.459 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245869056 549006495 /nfs/dbraw/zinc/00/64/95/549006495.db2.gz GPWUFZHDHALEOS-GOEBONIOSA-N 0 3 369.487 2.129 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000246959574 549252226 /nfs/dbraw/zinc/25/22/26/549252226.db2.gz INNSLAKYICPIRK-HOCLYGCPSA-N 0 3 367.471 2.316 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247245311 549306061 /nfs/dbraw/zinc/30/60/61/549306061.db2.gz ZEMJDCRQXPOKIC-DGCLKSJQSA-N 0 3 373.862 2.353 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248035844 549401452 /nfs/dbraw/zinc/40/14/52/549401452.db2.gz RRAJWBLCTLMCBJ-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000261645427 549738188 /nfs/dbraw/zinc/73/81/88/549738188.db2.gz GRGSBZDVLGLVLO-LSDHHAIUSA-N 0 3 361.423 2.019 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000264053955 549973040 /nfs/dbraw/zinc/97/30/40/549973040.db2.gz FSVYGBHDEJHMGN-UHFFFAOYSA-N 0 3 372.429 2.245 20 5 FEBDHN CCN1CCN(CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000269155606 550161828 /nfs/dbraw/zinc/16/18/28/550161828.db2.gz RKHVYEYPIVNOSQ-UHFFFAOYSA-N 0 3 360.458 2.113 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000270743863 550302852 /nfs/dbraw/zinc/30/28/52/550302852.db2.gz YGKAHTUJOOBZMA-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248346 561465640 /nfs/dbraw/zinc/46/56/40/561465640.db2.gz QXANNAAHNVWJKN-XPTSAGLGSA-N 0 3 372.219 2.453 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272330695 550438336 /nfs/dbraw/zinc/43/83/36/550438336.db2.gz LMGQVRXADWYGME-NEPJUHHUSA-N 0 3 361.427 2.298 20 5 FEBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538939 550456515 /nfs/dbraw/zinc/45/65/15/550456515.db2.gz RONGCKMOZDWFHZ-QWHCGFSZSA-N 0 3 353.423 2.026 20 5 FEBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c2nonc21 ZINC000273045686 550482254 /nfs/dbraw/zinc/48/22/54/550482254.db2.gz ARRHNKAHLXCFOH-CQSZACIVSA-N 0 3 369.381 2.310 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1N1CCCC1 ZINC000274187954 550527006 /nfs/dbraw/zinc/52/70/06/550527006.db2.gz LGPDTCXCQNPUPD-LSDHHAIUSA-N 0 3 364.471 2.137 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274847382 550558980 /nfs/dbraw/zinc/55/89/80/550558980.db2.gz AICDPGJTOPLUIS-NWDGAFQWSA-N 0 3 367.475 2.093 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000277044292 550625538 /nfs/dbraw/zinc/62/55/38/550625538.db2.gz HOSZDURRGSGGLT-GOEBONIOSA-N 0 3 365.455 2.255 20 5 FEBDHN CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000278314462 550771913 /nfs/dbraw/zinc/77/19/13/550771913.db2.gz HKBNUDNABJBVTG-GHMZBOCLSA-N 0 3 350.366 2.490 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000279154026 550859436 /nfs/dbraw/zinc/85/94/36/550859436.db2.gz HPFPYZBHVSQHDV-VXGBXAGGSA-N 0 3 352.410 2.355 20 5 FEBDHN Cc1c(C(=O)NC2(CN(C)C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000280977029 551051287 /nfs/dbraw/zinc/05/12/87/551051287.db2.gz AVFFICOKKGRNAX-UHFFFAOYSA-N 0 3 350.375 2.334 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000496261020 561493257 /nfs/dbraw/zinc/49/32/57/561493257.db2.gz HBIMUZITMNQOFK-HNNXBMFYSA-N 0 3 357.414 2.445 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000284448581 551551321 /nfs/dbraw/zinc/55/13/21/551551321.db2.gz QTTFJNNGLBEKDY-HUUCEWRRSA-N 0 3 353.444 2.111 20 5 FEBDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285267317 551729095 /nfs/dbraw/zinc/72/90/95/551729095.db2.gz XZKQXRBQOUVZRC-GFCCVEGCSA-N 0 3 351.403 2.409 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569672 551900923 /nfs/dbraw/zinc/90/09/23/551900923.db2.gz DYWMRQWRMGCHJF-BXUZGUMPSA-N 0 3 373.862 2.496 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000286720364 551918522 /nfs/dbraw/zinc/91/85/22/551918522.db2.gz NGCUHBHBKRZJMG-JSGCOSHPSA-N 0 3 371.434 2.290 20 5 FEBDHN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCN2CCCCC2)C1=O ZINC000288601126 552182804 /nfs/dbraw/zinc/18/28/04/552182804.db2.gz MQJSNBJLWUZUDO-SFHVURJKSA-N 0 3 360.414 2.238 20 5 FEBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000500753190 561581268 /nfs/dbraw/zinc/58/12/68/561581268.db2.gz YKIDLWABVMDYAS-UHFFFAOYSA-N 0 3 358.398 2.202 20 5 FEBDHN COCCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)C1CCN(C)CC1 ZINC000291296609 552611745 /nfs/dbraw/zinc/61/17/45/552611745.db2.gz SZYUSGMMBGKOON-UHFFFAOYSA-N 0 3 363.458 2.405 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@H](CO)C1 ZINC000291820853 552665099 /nfs/dbraw/zinc/66/50/99/552665099.db2.gz NVFBBIXANPPLRX-LBPRGKRZSA-N 0 3 357.357 2.181 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000293042706 552783627 /nfs/dbraw/zinc/78/36/27/552783627.db2.gz MGXUXTQORRHEIZ-QGZVFWFLSA-N 0 3 365.430 2.319 20 5 FEBDHN Cc1c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294223556 552889270 /nfs/dbraw/zinc/88/92/70/552889270.db2.gz RFNXKOKDRPWDPS-KRWDZBQOSA-N 0 3 362.386 2.369 20 5 FEBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCN(C2CCC2)CC1 ZINC000294860618 552939484 /nfs/dbraw/zinc/93/94/84/552939484.db2.gz AUCGDRJGOVUSDE-UHFFFAOYSA-N 0 3 355.398 2.295 20 5 FEBDHN Cc1cc(NCCN2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295992914 553086037 /nfs/dbraw/zinc/08/60/37/553086037.db2.gz LZWWJMFLPXPSBP-UHFFFAOYSA-N 0 3 357.414 2.229 20 5 FEBDHN CCn1cc([C@@H](C)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000296267092 553131943 /nfs/dbraw/zinc/13/19/43/553131943.db2.gz YCNKIIHOZFNBKS-GFCCVEGCSA-N 0 3 361.402 2.499 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000502720928 561623884 /nfs/dbraw/zinc/62/38/84/561623884.db2.gz HVLUMVWZVZCURC-HOTGVXAUSA-N 0 3 366.393 2.451 20 5 FEBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000297463797 553296043 /nfs/dbraw/zinc/29/60/43/553296043.db2.gz NFEDKFFJCWCBHD-LBPRGKRZSA-N 0 3 356.810 2.217 20 5 FEBDHN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)[NH+]2CCCC2)c1 ZINC000298846674 553480551 /nfs/dbraw/zinc/48/05/51/553480551.db2.gz ARHMQRYVVSHOKE-MRXNPFEDSA-N 0 3 358.398 2.498 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000299255836 553537853 /nfs/dbraw/zinc/53/78/53/553537853.db2.gz KUVYPCTWDZDESK-UHFFFAOYSA-N 0 3 359.430 2.128 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000299627177 553591305 /nfs/dbraw/zinc/59/13/05/553591305.db2.gz XRYPTCVMQLPYTM-LBPRGKRZSA-N 0 3 363.443 2.330 20 5 FEBDHN CN1CCC[C@H](N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C1 ZINC000301304050 553640481 /nfs/dbraw/zinc/64/04/81/553640481.db2.gz SSUOQFYLPGMWKH-KRWDZBQOSA-N 0 3 355.442 2.359 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CC[C@H](CN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301860967 553686234 /nfs/dbraw/zinc/68/62/34/553686234.db2.gz DPXZDYTWPAQCPK-CQSZACIVSA-N 0 3 367.471 2.311 20 5 FEBDHN CS(=O)(=O)c1cccc(N2CCC(N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301906303 553691019 /nfs/dbraw/zinc/69/10/19/553691019.db2.gz ZEEZTTLYGJDEIG-UHFFFAOYSA-N 0 3 353.444 2.063 20 5 FEBDHN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000302483473 553718480 /nfs/dbraw/zinc/71/84/80/553718480.db2.gz WYDHGKMADPWONN-LJQANCHMSA-N 0 3 356.426 2.371 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)cc1SC ZINC000330629858 554148162 /nfs/dbraw/zinc/14/81/62/554148162.db2.gz BUQUNCVEJZGHNY-NSHDSACASA-N 0 3 353.444 2.492 20 5 FEBDHN COc1cc(NC2CCN(CCC(=O)N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000508229325 561755943 /nfs/dbraw/zinc/75/59/43/561755943.db2.gz CNCNJPMGJFUOMD-UHFFFAOYSA-N 0 3 368.409 2.097 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1 ZINC000332075352 554374656 /nfs/dbraw/zinc/37/46/56/554374656.db2.gz FRDRMJHSQMRGEF-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000332085525 554376870 /nfs/dbraw/zinc/37/68/70/554376870.db2.gz QPLJJSVZPZDPKT-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000332085527 554377256 /nfs/dbraw/zinc/37/72/56/554377256.db2.gz QPLJJSVZPZDPKT-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN CN1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000332337586 554428345 /nfs/dbraw/zinc/42/83/45/554428345.db2.gz WDZHPFVRAZPWOT-GJZGRUSLSA-N 0 3 370.247 2.262 20 5 FEBDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000510967130 561852507 /nfs/dbraw/zinc/85/25/07/561852507.db2.gz KELMRNLDTBYEEF-AWEZNQCLSA-N 0 3 355.460 2.364 20 5 FEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000511072645 561855803 /nfs/dbraw/zinc/85/58/03/561855803.db2.gz GNOHTCFSEZICLZ-OAHLLOKOSA-N 0 3 374.393 2.238 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391122 554920311 /nfs/dbraw/zinc/92/03/11/554920311.db2.gz IPXCPWFJGUWTBA-HZMBPMFUSA-N 0 3 363.443 2.365 20 5 FEBDHN Cc1sc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000363145915 555039835 /nfs/dbraw/zinc/03/98/35/555039835.db2.gz UDNRWCIUBGZKMV-OCCSQVGLSA-N 0 3 366.487 2.063 20 5 FEBDHN Cc1sc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000363145913 555040010 /nfs/dbraw/zinc/04/00/10/555040010.db2.gz UDNRWCIUBGZKMV-GXTWGEPZSA-N 0 3 366.487 2.063 20 5 FEBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280869 555070270 /nfs/dbraw/zinc/07/02/70/555070270.db2.gz SKLGODHVPJTRLL-AWEZNQCLSA-N 0 3 357.414 2.227 20 5 FEBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280869 555070271 /nfs/dbraw/zinc/07/02/71/555070271.db2.gz SKLGODHVPJTRLL-AWEZNQCLSA-N 0 3 357.414 2.227 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000363446593 555107319 /nfs/dbraw/zinc/10/73/19/555107319.db2.gz MMIJUJYLLVCFJS-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN Cc1cc(NC(=O)N2CCC[C@H]2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000363829067 555194771 /nfs/dbraw/zinc/19/47/71/555194771.db2.gz SSBGEYRALAGTEH-HOTGVXAUSA-N 0 3 362.430 2.356 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000364195070 555267450 /nfs/dbraw/zinc/26/74/50/555267450.db2.gz BDKVFEPCLSHYFL-CVEARBPZSA-N 0 3 359.357 2.309 20 5 FEBDHN CCCN1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000364835775 555411891 /nfs/dbraw/zinc/41/18/91/555411891.db2.gz WSOIPJFIABEERO-UHFFFAOYSA-N 0 3 374.485 2.156 20 5 FEBDHN CCOc1cccc(N2CCC[C@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000364902464 555432084 /nfs/dbraw/zinc/43/20/84/555432084.db2.gz CTXGUGXIRCEYEO-MRXNPFEDSA-N 0 3 362.474 2.457 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 ZINC000365019251 555465699 /nfs/dbraw/zinc/46/56/99/555465699.db2.gz MXVNPVMXAUZVDH-LBPRGKRZSA-N 0 3 373.862 2.415 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000365696147 555643255 /nfs/dbraw/zinc/64/32/55/555643255.db2.gz REBWPLPDKVEMBL-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN COc1cc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc([N+](=O)[O-])c1C ZINC000365873842 555689832 /nfs/dbraw/zinc/68/98/32/555689832.db2.gz LWYBNVUXUKRNRH-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FEBDHN Nc1nc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC000366857212 555953020 /nfs/dbraw/zinc/95/30/20/555953020.db2.gz KCOMJUOXPNOARU-UHFFFAOYSA-N 0 3 360.340 2.184 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccccc2[C@@H]1O ZINC000367308949 556015131 /nfs/dbraw/zinc/01/51/31/556015131.db2.gz RSBNALZUFNTBSU-GFJSAUFNSA-N 0 3 371.393 2.396 20 5 FEBDHN COc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954899 556181551 /nfs/dbraw/zinc/18/15/51/556181551.db2.gz FIXZHJUKMSZLIY-IRXDYDNUSA-N 0 3 350.415 2.403 20 5 FEBDHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368374360 556291194 /nfs/dbraw/zinc/29/11/94/556291194.db2.gz LTPKBSIBQOKCPU-MRXNPFEDSA-N 0 3 357.414 2.330 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368592278 556356367 /nfs/dbraw/zinc/35/63/67/556356367.db2.gz QATIYLXMLZWSTO-KSSFIOAISA-N 0 3 358.442 2.361 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368931723 556451563 /nfs/dbraw/zinc/45/15/63/556451563.db2.gz PDVKRTQLRDBFQV-UHFFFAOYSA-N 0 3 355.398 2.434 20 5 FEBDHN CO[C@](C)(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638171 562017877 /nfs/dbraw/zinc/01/78/77/562017877.db2.gz UXUONZORHFDNLR-QFBILLFUSA-N 0 3 360.410 2.486 20 5 FEBDHN Cc1cc(N2CCCN([C@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368976000 556465469 /nfs/dbraw/zinc/46/54/69/556465469.db2.gz SRXRPVHXDLTUBE-OAHLLOKOSA-N 0 3 371.441 2.253 20 5 FEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@H](O)COCc3cccs3)C2)c1 ZINC000369020332 556478483 /nfs/dbraw/zinc/47/84/83/556478483.db2.gz WQRMFNICTULHIP-ZFWWWQNUSA-N 0 3 366.443 2.067 20 5 FEBDHN CN(C)CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369027639 556481716 /nfs/dbraw/zinc/48/17/16/556481716.db2.gz PUZAWHRUJZLJBK-UHFFFAOYSA-N 0 3 369.853 2.349 20 5 FEBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000369712740 556675730 /nfs/dbraw/zinc/67/57/30/556675730.db2.gz OYZOOEAHMKXZBQ-OCCSQVGLSA-N 0 3 363.414 2.190 20 5 FEBDHN O=C(CCN1CCC(CN2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000369815682 556703274 /nfs/dbraw/zinc/70/32/74/556703274.db2.gz DSWUIMFUEKVDOW-UHFFFAOYSA-N 0 3 374.441 2.258 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3cnccn3)CC2)c1 ZINC000370443575 556875368 /nfs/dbraw/zinc/87/53/68/556875368.db2.gz DDJICVXMODQJKQ-INIZCTEOSA-N 0 3 358.398 2.004 20 5 FEBDHN COc1ccc(OCCN2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000370698584 556943637 /nfs/dbraw/zinc/94/36/37/556943637.db2.gz OHPOFFBCRSVOMI-AWEZNQCLSA-N 0 3 361.402 2.128 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000517564138 562092620 /nfs/dbraw/zinc/09/26/20/562092620.db2.gz CQKVUNAIHOCPAN-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371645120 557249244 /nfs/dbraw/zinc/24/92/44/557249244.db2.gz FHYCLYOFAAWQMZ-OAHLLOKOSA-N 0 3 353.382 2.053 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000518023959 562102830 /nfs/dbraw/zinc/10/28/30/562102830.db2.gz YAMANWOCSMQQJZ-AWEZNQCLSA-N 0 3 362.430 2.231 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000371783048 557292596 /nfs/dbraw/zinc/29/25/96/557292596.db2.gz FHSAKYVJPCTKIF-QIXNEVBVSA-N 0 3 359.426 2.368 20 5 FEBDHN Cc1ccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000371788616 557293652 /nfs/dbraw/zinc/29/36/52/557293652.db2.gz NQLHHQQRAHWIJS-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000518312421 562108285 /nfs/dbraw/zinc/10/82/85/562108285.db2.gz XPPMSOBUBMGULB-LSDHHAIUSA-N 0 3 364.446 2.393 20 5 FEBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CN2CCC1CC2 ZINC000518431721 562111366 /nfs/dbraw/zinc/11/13/66/562111366.db2.gz ILLPSMDYBNFQKN-IBGZPJMESA-N 0 3 372.469 2.364 20 5 FEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000372150443 557393551 /nfs/dbraw/zinc/39/35/51/557393551.db2.gz OMSIPFGNWNRBQA-KRWDZBQOSA-N 0 3 357.414 2.019 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCN(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000519489792 562132596 /nfs/dbraw/zinc/13/25/96/562132596.db2.gz RVHLFFCNZXRYFW-UHFFFAOYSA-N 0 3 355.460 2.446 20 5 FEBDHN O=C1Nc2ccccc2[C@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712498 557544904 /nfs/dbraw/zinc/54/49/04/557544904.db2.gz GHJPMZQHZWSZBH-QGZVFWFLSA-N 0 3 355.398 2.239 20 5 FEBDHN COc1ccc(CC(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000520265386 562152174 /nfs/dbraw/zinc/15/21/74/562152174.db2.gz SJPMGTVEVPPQSV-UHFFFAOYSA-N 0 3 372.425 2.131 20 5 FEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@@H](O)COCc3ccccc3)C2)c1 ZINC000373583194 557722651 /nfs/dbraw/zinc/72/26/51/557722651.db2.gz IVYDSNRMVXMBDA-FUHWJXTLSA-N 0 3 360.414 2.006 20 5 FEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@@H](O)COCc3ccccc3)C2)c1 ZINC000373583195 557722885 /nfs/dbraw/zinc/72/28/85/557722885.db2.gz IVYDSNRMVXMBDA-SJLPKXTDSA-N 0 3 360.414 2.006 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000520562837 562158944 /nfs/dbraw/zinc/15/89/44/562158944.db2.gz QEWUYSTZZQESAU-ZIAGYGMSSA-N 0 3 365.430 2.361 20 5 FEBDHN C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883173 557945918 /nfs/dbraw/zinc/94/59/18/557945918.db2.gz RLPBFJVDSGYPBP-LPHOPBHVSA-N 0 3 373.457 2.013 20 5 FEBDHN Cc1cccc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000375882134 558093276 /nfs/dbraw/zinc/09/32/76/558093276.db2.gz RRPGDRQXXTXRJC-INIZCTEOSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375928013 558101085 /nfs/dbraw/zinc/10/10/85/558101085.db2.gz PHGDTAGDJSBIDR-QGZVFWFLSA-N 0 3 357.414 2.019 20 5 FEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521650661 562181393 /nfs/dbraw/zinc/18/13/93/562181393.db2.gz WEKUQMOHVLIXRY-GFCCVEGCSA-N 0 3 361.398 2.113 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1 ZINC000376767062 558219230 /nfs/dbraw/zinc/21/92/30/558219230.db2.gz GPIZIODVMDSIRC-CJNGLKHVSA-N 0 3 365.386 2.160 20 5 FEBDHN Cn1cc([C@H]2[C@@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCCN2C)cn1 ZINC000377693831 558399388 /nfs/dbraw/zinc/39/93/88/558399388.db2.gz CKWOITGVHFYSAO-PIGZYNQJSA-N 0 3 371.401 2.360 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](O)c3ccccc3C2)c1 ZINC000378495751 558569818 /nfs/dbraw/zinc/56/98/18/558569818.db2.gz MLYHAZUWIMOACI-VQIMIIECSA-N 0 3 358.394 2.274 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000408342950 558668978 /nfs/dbraw/zinc/66/89/78/558668978.db2.gz MFXMEHRSLMZZBV-LSDHHAIUSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000408375865 558672109 /nfs/dbraw/zinc/67/21/09/558672109.db2.gz UNEKYKMVGXLKKE-UONOGXRCSA-N 0 3 353.444 2.008 20 5 FEBDHN COc1cc(C(=O)NC(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000411083448 558838024 /nfs/dbraw/zinc/83/80/24/558838024.db2.gz DUEHSLOVSMAOFI-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN CCN(CC)C(=O)[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411194854 558851885 /nfs/dbraw/zinc/85/18/85/558851885.db2.gz HWCAPIRJAKJTAO-MRXNPFEDSA-N 0 3 362.430 2.256 20 5 FEBDHN O=C(CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279094 558867105 /nfs/dbraw/zinc/86/71/05/558867105.db2.gz PFLVKCZAYSOJFJ-TZMCWYRMSA-N 0 3 361.320 2.311 20 5 FEBDHN O=[N+]([O-])c1c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)nc2sccn21 ZINC000525461091 562248676 /nfs/dbraw/zinc/24/86/76/562248676.db2.gz CYQUNJYQYVAVNS-KRWDZBQOSA-N 0 3 373.438 2.353 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCN(C(C)C)CC2)c1F ZINC000411974636 558997961 /nfs/dbraw/zinc/99/79/61/558997961.db2.gz VZGBDIILFFJWBC-UHFFFAOYSA-N 0 3 353.394 2.228 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003515 559001368 /nfs/dbraw/zinc/00/13/68/559001368.db2.gz XGAXMCKDUZMGPV-MSOLQXFVSA-N 0 3 372.425 2.006 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1F ZINC000412122678 559015834 /nfs/dbraw/zinc/01/58/34/559015834.db2.gz GRMNLQBLRWLOEK-YPMHNXCESA-N 0 3 353.394 2.084 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)c1C ZINC000416428326 559312256 /nfs/dbraw/zinc/31/22/56/559312256.db2.gz UCIGBQCKOOJIOB-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN O=C(N[C@H]1CNCCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418749397 559413685 /nfs/dbraw/zinc/41/36/85/559413685.db2.gz CDNZKUZSTWMZIH-AWEZNQCLSA-N 0 3 354.357 2.266 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420012308 559468822 /nfs/dbraw/zinc/46/88/22/559468822.db2.gz IYLPZJPFSVLLRN-AWEZNQCLSA-N 0 3 363.336 2.046 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000421557752 559545245 /nfs/dbraw/zinc/54/52/45/559545245.db2.gz MXPYSGNYYTUDSA-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FEBDHN CCc1ccc([C@@H](NC[C@@H]2CNCCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519624 559630918 /nfs/dbraw/zinc/63/09/18/559630918.db2.gz PMDXNBKWEJIREV-LPHOPBHVSA-N 0 3 358.442 2.333 20 5 FEBDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000424412491 559663773 /nfs/dbraw/zinc/66/37/73/559663773.db2.gz AUIOJQYDPSMYMP-UHFFFAOYSA-N 0 3 370.413 2.111 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](CO)C1CCOCC1 ZINC000425457054 559703156 /nfs/dbraw/zinc/70/31/56/559703156.db2.gz KPIHXDWFFAGAMV-CYBMUJFWSA-N 0 3 359.220 2.234 20 5 FEBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466534 559703717 /nfs/dbraw/zinc/70/37/17/559703717.db2.gz BEGDHFNTIPNEDS-NWDGAFQWSA-N 0 3 356.220 2.362 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425504914 559706391 /nfs/dbraw/zinc/70/63/91/559706391.db2.gz XQAHCRWCBLKZHE-OAHLLOKOSA-N 0 3 358.402 2.160 20 5 FEBDHN CNCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000428294454 559772945 /nfs/dbraw/zinc/77/29/45/559772945.db2.gz GLGGATYZJUPLCZ-CQSZACIVSA-N 0 3 372.381 2.151 20 5 FEBDHN C[C@@H]1C[C@@H]1N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999080 559787900 /nfs/dbraw/zinc/78/79/00/559787900.db2.gz RZQLDYXJVNAMAG-RKVPGOIHSA-N 0 3 360.458 2.220 20 5 FEBDHN CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000429214269 559793108 /nfs/dbraw/zinc/79/31/08/559793108.db2.gz GUXHTZDYOWZGHG-CQSZACIVSA-N 0 3 364.446 2.128 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429236834 559793532 /nfs/dbraw/zinc/79/35/32/559793532.db2.gz MSGQXQOUHDULMK-DGCLKSJQSA-N 0 3 371.393 2.393 20 5 FEBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429351047 559796647 /nfs/dbraw/zinc/79/66/47/559796647.db2.gz RQQWRHMIILKHQP-HNNXBMFYSA-N 0 3 372.429 2.112 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433559705 559884130 /nfs/dbraw/zinc/88/41/30/559884130.db2.gz UJVVWANEGORFCK-MRXNPFEDSA-N 0 3 362.430 2.420 20 5 FEBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000433954934 559891303 /nfs/dbraw/zinc/89/13/03/559891303.db2.gz XYBNREDVWOZOCF-HNNXBMFYSA-N 0 3 361.446 2.323 20 5 FEBDHN NC(=O)c1cccc(N2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439104589 559988651 /nfs/dbraw/zinc/98/86/51/559988651.db2.gz AYFOZCVHNWWHMY-UHFFFAOYSA-N 0 3 354.410 2.406 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000440915981 560019687 /nfs/dbraw/zinc/01/96/87/560019687.db2.gz WTRMDZLHIUWCQZ-TZMCWYRMSA-N 0 3 369.425 2.350 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000445078022 560128233 /nfs/dbraw/zinc/12/82/33/560128233.db2.gz HZYXUSXCYQOFHS-UHFFFAOYSA-N 0 3 367.471 2.364 20 5 FEBDHN COc1cccc(C2(NCCn3cc([N+](=O)[O-])cn3)CCOCC2)c1F ZINC000447357094 560160808 /nfs/dbraw/zinc/16/08/08/560160808.db2.gz FFWPOBSHUXVSIH-UHFFFAOYSA-N 0 3 364.377 2.235 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000448036156 560176325 /nfs/dbraw/zinc/17/63/25/560176325.db2.gz WBIVUBYQAYWDTM-INIZCTEOSA-N 0 3 363.462 2.426 20 5 FEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CN2CCC1CC2 ZINC000448957560 560208630 /nfs/dbraw/zinc/20/86/30/560208630.db2.gz WJVPVPZWNQOLNS-QGZVFWFLSA-N 0 3 355.398 2.151 20 5 FEBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449658127 560235906 /nfs/dbraw/zinc/23/59/06/560235906.db2.gz AGZKPBRYUFNZNF-JTQLQIEISA-N 0 3 353.247 2.341 20 5 FEBDHN CN(C)CCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000450260888 560256139 /nfs/dbraw/zinc/25/61/39/560256139.db2.gz LPLYBOCHVRMLOB-UHFFFAOYSA-N 0 3 355.398 2.446 20 5 FEBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450927825 560278815 /nfs/dbraw/zinc/27/88/15/560278815.db2.gz DSBVRQSNMKXFKA-HNNXBMFYSA-N 0 3 357.414 2.383 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500578 560310724 /nfs/dbraw/zinc/31/07/24/560310724.db2.gz OKVROCVJWRTZBR-HUUCEWRRSA-N 0 3 351.403 2.335 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505473 560310899 /nfs/dbraw/zinc/31/08/99/560310899.db2.gz UHHPNUVQNNAFNK-AMKSKSKJSA-N 0 3 351.403 2.191 20 5 FEBDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000451592993 560316424 /nfs/dbraw/zinc/31/64/24/560316424.db2.gz HAUJWCCZWVPTII-APWZRJJASA-N 0 3 363.458 2.363 20 5 FEBDHN C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN(C2CC2)C1 ZINC000452172065 560354520 /nfs/dbraw/zinc/35/45/20/560354520.db2.gz UJOHZSOIVYZNEQ-CQSZACIVSA-N 0 3 356.426 2.492 20 5 FEBDHN CNc1nc(C(=O)NCCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000454640734 560452534 /nfs/dbraw/zinc/45/25/34/560452534.db2.gz BPMSGZZPUIKDGN-UHFFFAOYSA-N 0 3 369.425 2.210 20 5 FEBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000455120788 560470892 /nfs/dbraw/zinc/47/08/92/560470892.db2.gz XFLHPJLNVGUBLE-UHFFFAOYSA-N 0 3 361.402 2.137 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457097220 560548287 /nfs/dbraw/zinc/54/82/87/560548287.db2.gz RTLONUWIGHHWCJ-CQSZACIVSA-N 0 3 357.414 2.335 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000458511518 560628827 /nfs/dbraw/zinc/62/88/27/560628827.db2.gz PQGZBHNMSGBRAR-ZBFHGGJFSA-N 0 3 364.446 2.110 20 5 FEBDHN CC[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517298 560629191 /nfs/dbraw/zinc/62/91/91/560629191.db2.gz SHKGYZUZNUCLIV-IRXDYDNUSA-N 0 3 364.446 2.192 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461779426 560783052 /nfs/dbraw/zinc/78/30/52/560783052.db2.gz VALIXHUMGZWUSD-UHFFFAOYSA-N 0 3 352.410 2.033 20 5 FEBDHN Cc1sc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000467068651 560902745 /nfs/dbraw/zinc/90/27/45/560902745.db2.gz MCDMDFPAEIPTKB-SNVBAGLBSA-N 0 3 361.489 2.316 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716783 560915718 /nfs/dbraw/zinc/91/57/18/560915718.db2.gz VGJAFSZZJZWXEX-PXAZEXFGSA-N 0 3 369.425 2.208 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170170 560975936 /nfs/dbraw/zinc/97/59/36/560975936.db2.gz POZJDUDZPHCHKL-GHRIWEEISA-N 0 3 374.485 2.484 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000474358007 561072038 /nfs/dbraw/zinc/07/20/38/561072038.db2.gz VZJNNGDEHLIQLW-SJLPKXTDSA-N 0 3 366.414 2.177 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000474819088 561083563 /nfs/dbraw/zinc/08/35/63/561083563.db2.gz NTLDGABYLHBKBU-UHFFFAOYSA-N 0 3 373.457 2.222 20 5 FEBDHN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCc2ccccc2C1 ZINC000476377827 561117913 /nfs/dbraw/zinc/11/79/13/561117913.db2.gz XDFIPCKELYLGEO-KRWDZBQOSA-N 0 3 371.441 2.141 20 5 FEBDHN C[C@@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813540 562424882 /nfs/dbraw/zinc/42/48/82/562424882.db2.gz ZKGDHDXPFWUCOK-QRWLVFNGSA-N 0 3 369.421 2.409 20 5 FEBDHN C[C@@H]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531267436 562440111 /nfs/dbraw/zinc/44/01/11/562440111.db2.gz FHYSSWYGPVBIMT-LLVKDONJSA-N 0 3 370.247 2.358 20 5 FEBDHN COc1ccc2c(c1)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000534841530 562543712 /nfs/dbraw/zinc/54/37/12/562543712.db2.gz WAEMRRJGNSRCAK-GOSISDBHSA-N 0 3 372.421 2.444 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2ccc(F)c(F)c2)c1 ZINC000570710024 568502233 /nfs/dbraw/zinc/50/22/33/568502233.db2.gz AIVVLTOLCMTEQT-CYBMUJFWSA-N 0 3 368.336 2.281 20 5 FEBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000810376106 674542383 /nfs/dbraw/zinc/54/23/83/674542383.db2.gz KIMLGDAFEYMNJI-QGZVFWFLSA-N 0 3 353.394 2.302 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670184 609315331 /nfs/dbraw/zinc/31/53/31/609315331.db2.gz LQCQWRTZPWNXOX-VXGBXAGGSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670184 609315332 /nfs/dbraw/zinc/31/53/32/609315332.db2.gz LQCQWRTZPWNXOX-VXGBXAGGSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670184 609315333 /nfs/dbraw/zinc/31/53/33/609315333.db2.gz LQCQWRTZPWNXOX-VXGBXAGGSA-N 0 3 372.433 2.235 20 5 FEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670184 609315334 /nfs/dbraw/zinc/31/53/34/609315334.db2.gz LQCQWRTZPWNXOX-VXGBXAGGSA-N 0 3 372.433 2.235 20 5 FEBDHN CC[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585631 674601203 /nfs/dbraw/zinc/60/12/03/674601203.db2.gz VTSCLDOXPBWMSC-HZPDHXFCSA-N 0 3 355.460 2.450 20 5 FEBDHN CC(COC(=O)c1cccc(F)c1I)[N+](=O)[O-] ZINC000813101708 674719067 /nfs/dbraw/zinc/71/90/67/674719067.db2.gz HJLMIIRVQVYVGB-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[N+](=O)[O-] ZINC000813103082 674719369 /nfs/dbraw/zinc/71/93/69/674719369.db2.gz NBEGELGQCZJEGJ-OLZOCXBDSA-N 0 3 370.427 2.072 20 5 FEBDHN CC(COC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000813113527 674721117 /nfs/dbraw/zinc/72/11/17/674721117.db2.gz RIRQJGSFPLZJLE-VIFPVBQESA-N 0 3 351.309 2.461 20 5 FEBDHN CC(COC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813110214 674721126 /nfs/dbraw/zinc/72/11/26/674721126.db2.gz UUCDJHFGWCVELH-SUMWQHHRSA-N 0 3 350.371 2.244 20 5 FEBDHN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104681 674720094 /nfs/dbraw/zinc/72/00/94/674720094.db2.gz FTOOAAQOFIZXMJ-UHTWSYAYSA-N 0 3 354.359 2.458 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000110994381 670853210 /nfs/dbraw/zinc/85/32/10/670853210.db2.gz RBMFIKWCDQWIPO-LBPRGKRZSA-N 0 3 350.375 2.416 20 5 FEBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572497105 671009718 /nfs/dbraw/zinc/00/97/18/671009718.db2.gz BSIXJZAZVIWHST-ZDUSSCGKSA-N 0 3 352.410 2.467 20 5 FEBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000575430000 671313303 /nfs/dbraw/zinc/31/33/03/671313303.db2.gz KTITWJLEJHTTGU-ZDUSSCGKSA-N 0 3 352.410 2.101 20 5 FEBDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000589103473 672505724 /nfs/dbraw/zinc/50/57/24/672505724.db2.gz LYONBRLIWZBYOI-GFCCVEGCSA-N 0 3 370.456 2.019 20 5 FEBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565849 672590246 /nfs/dbraw/zinc/59/02/46/672590246.db2.gz RLHLYXCWGVHNLM-UKRRQHHQSA-N 0 3 353.806 2.183 20 5 FEBDHN CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000591955640 672725893 /nfs/dbraw/zinc/72/58/93/672725893.db2.gz LSPNVEPOJPSNCQ-HNNXBMFYSA-N 0 3 350.419 2.099 20 5 FEBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@]1(O)CCOC1 ZINC000592374749 672793938 /nfs/dbraw/zinc/79/39/38/672793938.db2.gz HHZHBLSLROSSNN-MRXNPFEDSA-N 0 3 360.357 2.463 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H](CO)CCF)c1 ZINC000593689630 672979459 /nfs/dbraw/zinc/97/94/59/672979459.db2.gz ORAUWIOMNUZNSO-JTQLQIEISA-N 0 3 368.146 2.010 20 5 FEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756166 673131048 /nfs/dbraw/zinc/13/10/48/673131048.db2.gz YNSQJEFPBAUFFB-UHFFFAOYSA-N 0 3 366.443 2.153 20 5 FEBDHN CCCN(CC)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758011 673131695 /nfs/dbraw/zinc/13/16/95/673131695.db2.gz BTJYNVZUKCGCCP-UHFFFAOYSA-N 0 3 366.443 2.153 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000728908944 673214742 /nfs/dbraw/zinc/21/47/42/673214742.db2.gz QWJHFAWPJIWDNG-UHFFFAOYSA-N 0 3 354.838 2.239 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462584959 673266124 /nfs/dbraw/zinc/26/61/24/673266124.db2.gz PXAJUISMRAZXAM-HNNXBMFYSA-N 0 3 367.471 2.446 20 5 FEBDHN CO[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000596065306 673355170 /nfs/dbraw/zinc/35/51/70/673355170.db2.gz QDSLWJZAEDISHZ-INIZCTEOSA-N 0 3 356.444 2.163 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598600595 673588367 /nfs/dbraw/zinc/58/83/67/673588367.db2.gz VDDVPRIPIZFCIP-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598606322 673589230 /nfs/dbraw/zinc/58/92/30/673589230.db2.gz ZZVQWOUEWRZZPN-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCN1C1CCCCC1 ZINC000599127966 673635157 /nfs/dbraw/zinc/63/51/57/673635157.db2.gz SHDWXXNQZQHGOS-CQSZACIVSA-N 0 3 368.459 2.061 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000599966458 673731075 /nfs/dbraw/zinc/73/10/75/673731075.db2.gz JDUAJIIETCQYDS-JOYOIKCWSA-N 0 3 354.204 2.133 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467813 673771585 /nfs/dbraw/zinc/77/15/85/673771585.db2.gz CULWIFPRLTUGKK-MJBXVCDLSA-N 0 3 355.460 2.240 20 5 FEBDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880527 673825027 /nfs/dbraw/zinc/82/50/27/673825027.db2.gz ZNMPCIUXPNZAGD-HNNXBMFYSA-N 0 3 355.460 2.384 20 5 FEBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000601131644 673827697 /nfs/dbraw/zinc/82/76/97/673827697.db2.gz OFFYVGAYIFCXHC-JTQLQIEISA-N 0 3 363.340 2.012 20 5 FEBDHN O=[N+]([O-])c1sc(CNCC2(O)CCOCC2)cc1Br ZINC000602539125 673907739 /nfs/dbraw/zinc/90/77/39/673907739.db2.gz DCSQRUMZJCNUHL-UHFFFAOYSA-N 0 3 351.222 2.050 20 5 FEBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000615313921 676211876 /nfs/dbraw/zinc/21/18/76/676211876.db2.gz YJFFJHRLWSNBEA-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CCCN1C ZINC000823310989 675543961 /nfs/dbraw/zinc/54/39/61/675543961.db2.gz VTJDQXGFHWLOIY-JTQLQIEISA-N 0 3 354.794 2.031 20 5 FEBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000827494108 675760278 /nfs/dbraw/zinc/76/02/78/675760278.db2.gz DWAZMICRFZRMEA-CQSZACIVSA-N 0 3 351.378 2.107 20 5 FEBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849849 680857478 /nfs/dbraw/zinc/85/74/78/680857478.db2.gz RSNPDAHEMAPVQM-PXAZEXFGSA-N 0 3 364.423 2.383 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@@H]1N(C)C ZINC000831299755 679962787 /nfs/dbraw/zinc/96/27/87/679962787.db2.gz MIDAKYKNJDVEDE-WDEREUQCSA-N 0 3 359.398 2.299 20 5 FEBDHN Cc1c(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748836720 680000055 /nfs/dbraw/zinc/00/00/55/680000055.db2.gz XJXQXXVWSVRHQZ-JTQLQIEISA-N 0 3 350.375 2.334 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1N1CCCC1 ZINC000832132257 680099637 /nfs/dbraw/zinc/09/96/37/680099637.db2.gz TXWXFWVEKFQUMX-HUUCEWRRSA-N 0 3 353.419 2.386 20 5 FEBDHN CC(C)CCc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022064501 680193454 /nfs/dbraw/zinc/19/34/54/680193454.db2.gz HOCZYEPQCVZJLV-AYRXBEOTSA-N 0 3 366.487 2.134 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000834310858 680211558 /nfs/dbraw/zinc/21/15/58/680211558.db2.gz YJEGLQKKZXUBNJ-SKDRFNHKSA-N 0 3 354.204 2.133 20 5 FEBDHN COc1cc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccc1Cl ZINC001002787424 680508493 /nfs/dbraw/zinc/50/84/93/680508493.db2.gz KOHVNFMGTPHKDC-UKRRQHHQSA-N 0 3 367.833 2.094 20 5 FEBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cc(F)cc(F)c2)CC1 ZINC001045436042 680629362 /nfs/dbraw/zinc/62/93/62/680629362.db2.gz FKFJPQXSGIBXMG-HUUCEWRRSA-N 0 3 353.369 2.101 20 5 FEBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841575660 680901526 /nfs/dbraw/zinc/90/15/26/680901526.db2.gz SBATUGVLHHLKIU-UHFFFAOYSA-N 0 3 359.423 2.229 20 5 FEBDHN CS(=O)(=O)CCOCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841748228 680910173 /nfs/dbraw/zinc/91/01/73/680910173.db2.gz IKBWBRWZLYFPEF-INIZCTEOSA-N 0 3 356.444 2.013 20 5 FEBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000771067083 681040012 /nfs/dbraw/zinc/04/00/12/681040012.db2.gz OUGWZABISHZVEK-ZDUSSCGKSA-N 0 3 353.394 2.434 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845507760 681133712 /nfs/dbraw/zinc/13/37/12/681133712.db2.gz DITOGPRUEJXKAN-ZDUSSCGKSA-N 0 3 370.812 2.306 20 5 FEBDHN CC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845874999 681158338 /nfs/dbraw/zinc/15/83/38/681158338.db2.gz KQXBQBFNDKFCHQ-FFSVYQOJSA-N 0 3 352.362 2.334 20 5 FEBDHN COCCn1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845879281 681158816 /nfs/dbraw/zinc/15/88/16/681158816.db2.gz IHIWVVNCFXHTIP-XHDPSFHLSA-N 0 3 351.334 2.232 20 5 FEBDHN Cc1nnc(COCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883351 681159313 /nfs/dbraw/zinc/15/93/13/681159313.db2.gz SMNVDVPRLHPNGU-RFAUZJTJSA-N 0 3 369.374 2.452 20 5 FEBDHN COCCN1CCC(OC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000847886498 681445926 /nfs/dbraw/zinc/44/59/26/681445926.db2.gz FPGCRILGJSNPQC-UHFFFAOYSA-N 0 3 356.350 2.010 20 5 FEBDHN COCCN(C)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848674579 681597132 /nfs/dbraw/zinc/59/71/32/681597132.db2.gz GJAOLLKRGVHTSV-NSHDSACASA-N 0 3 357.457 2.236 20 5 FEBDHN O=[N+]([O-])c1c(NC2CCN(C[C@H]3CCCO3)CC2)nc2sccn21 ZINC000917064089 685529374 /nfs/dbraw/zinc/52/93/74/685529374.db2.gz IRGVVWUGORWCLE-GFCCVEGCSA-N 0 3 351.432 2.359 20 5 FEBDHN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711108 682553029 /nfs/dbraw/zinc/55/30/29/682553029.db2.gz KIBFXJKLJCUFRS-DOMZBBRYSA-N 0 3 352.435 2.005 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCN2CCCC2)cc1F ZINC000867224573 684228862 /nfs/dbraw/zinc/22/88/62/684228862.db2.gz AZZOOXCDFYQNJM-UHFFFAOYSA-N 0 3 359.423 2.149 20 5 FEBDHN COCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000870455108 684722594 /nfs/dbraw/zinc/72/25/94/684722594.db2.gz UPYUJYFEXOHNCO-NHYWBVRUSA-N 0 3 351.334 2.232 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000873153478 685083678 /nfs/dbraw/zinc/08/36/78/685083678.db2.gz UULPRLSRKMSUKQ-ZDUSSCGKSA-N 0 3 352.387 2.051 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000882218754 687327237 /nfs/dbraw/zinc/32/72/37/687327237.db2.gz UFELIBSNTRREFP-OAHLLOKOSA-N 0 3 373.862 2.273 20 5 FEBDHN COc1cc(NC[C@H]2CCN2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000896522332 689884750 /nfs/dbraw/zinc/88/47/50/689884750.db2.gz NILZYPCDCMFWFR-CYBMUJFWSA-N 0 3 351.403 2.277 20 5 FEBDHN Cn1nnc2c1C[C@@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000897347126 690009783 /nfs/dbraw/zinc/00/97/83/690009783.db2.gz GJJFPYRYPNBHKS-NSHDSACASA-N 0 3 355.320 2.389 20 5 FEBDHN C[C@H](N[C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852762 691183305 /nfs/dbraw/zinc/18/33/05/691183305.db2.gz NDMHQESPGRXWPN-VBNZEHGJSA-N 0 3 364.471 2.091 20 5 FEBDHN C[C@H](N[C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853089 691183310 /nfs/dbraw/zinc/18/33/10/691183310.db2.gz PBXLLIYFAATQDU-DUVNUKRYSA-N 0 3 364.471 2.091 20 5 FEBDHN C[C@@H](CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000907457477 691487854 /nfs/dbraw/zinc/48/78/54/691487854.db2.gz QGLOCITZTRNJAU-YOEHRIQHSA-N 0 3 367.471 2.104 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984073 722105635 /nfs/dbraw/zinc/10/56/35/722105635.db2.gz RRDHSUWDEIFYLA-IAGOWNOFSA-N 0 3 369.425 2.112 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942221 210199325 /nfs/dbraw/zinc/19/93/25/210199325.db2.gz RKZCULSRISTJBM-KBPBESRZSA-N 0 3 362.430 2.101 20 5 FEBDHN Cc1c(C(=O)N[C@@H](C)CN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032663119 539947051 /nfs/dbraw/zinc/94/70/51/539947051.db2.gz DQQUUDMCJPFTNL-NSHDSACASA-N 0 3 350.375 2.416 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341506 540097821 /nfs/dbraw/zinc/09/78/21/540097821.db2.gz LUCQYUNSILLEJC-GFCCVEGCSA-N 0 3 369.853 2.396 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047144328 540292758 /nfs/dbraw/zinc/29/27/58/540292758.db2.gz NFWQNYYGTNMKCS-AWEZNQCLSA-N 0 3 357.414 2.385 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000048794445 540373646 /nfs/dbraw/zinc/37/36/46/540373646.db2.gz ZNHMBQWMHRJLAV-UHFFFAOYSA-N 0 3 362.430 2.222 20 5 FEBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053699291 540549832 /nfs/dbraw/zinc/54/98/32/540549832.db2.gz HFIMPOFGPUNHSM-CYBMUJFWSA-N 0 3 355.460 2.384 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053887327 540558459 /nfs/dbraw/zinc/55/84/59/540558459.db2.gz COYWLPVHAMOXHR-UHFFFAOYSA-N 0 3 359.329 2.030 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)CN2CCCC2)c1C ZINC000055265256 540641854 /nfs/dbraw/zinc/64/18/54/540641854.db2.gz VAKYKIRWVUCISU-LBPRGKRZSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000066022470 541278434 /nfs/dbraw/zinc/27/84/34/541278434.db2.gz QEWUYSTZZQESAU-UONOGXRCSA-N 0 3 365.430 2.361 20 5 FEBDHN Cc1c(NC(=O)NC[C@H](O)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067536954 541476358 /nfs/dbraw/zinc/47/63/58/541476358.db2.gz OJDPVQQPJLRECN-AWEZNQCLSA-N 0 3 350.419 2.118 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000068780248 541627225 /nfs/dbraw/zinc/62/72/25/541627225.db2.gz YYLWHWMSVHSOOQ-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000069527404 541694183 /nfs/dbraw/zinc/69/41/83/541694183.db2.gz CDPNUGROEQWBFI-LBPRGKRZSA-N 0 3 353.444 2.157 20 5 FEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000073987293 542023441 /nfs/dbraw/zinc/02/34/41/542023441.db2.gz ZZXQLCGDCPQZIZ-LSDHHAIUSA-N 0 3 355.398 2.089 20 5 FEBDHN CC[C@H](CO)N1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000078524698 542466052 /nfs/dbraw/zinc/46/60/52/542466052.db2.gz QBGBGWDHUUAEJQ-MRXNPFEDSA-N 0 3 371.441 2.253 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(n2ccnc2)CC1 ZINC000109794347 543339401 /nfs/dbraw/zinc/33/94/01/543339401.db2.gz QPLAPXMQGBJKGT-UHFFFAOYSA-N 0 3 373.413 2.466 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109966784 543345298 /nfs/dbraw/zinc/34/52/98/543345298.db2.gz XFUWIILZSMJUQK-KRWDZBQOSA-N 0 3 357.414 2.385 20 5 FEBDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000112851476 543465137 /nfs/dbraw/zinc/46/51/37/543465137.db2.gz JTYVNBDYDPIJRF-GDBMZVCRSA-N 0 3 374.441 2.175 20 5 FEBDHN CC(C)N1CCC(N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000115580940 543575643 /nfs/dbraw/zinc/57/56/43/543575643.db2.gz DPVJEQVGCWQGOP-UHFFFAOYSA-N 0 3 363.414 2.311 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@H](C)N2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000116662634 543612258 /nfs/dbraw/zinc/61/22/58/543612258.db2.gz BRXWCGOKJFUTIW-ZDUSSCGKSA-N 0 3 351.451 2.035 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCCn1ccnc1 ZINC000124315460 543813267 /nfs/dbraw/zinc/81/32/67/543813267.db2.gz OMTZUVWARIJSHX-ZDUSSCGKSA-N 0 3 361.402 2.149 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123947653 543792790 /nfs/dbraw/zinc/79/27/90/543792790.db2.gz WVOUUIMQQKBUMF-PWSUYJOCSA-N 0 3 350.375 2.366 20 5 FEBDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000124893445 543850136 /nfs/dbraw/zinc/85/01/36/543850136.db2.gz PJALTZBXYPHPCW-UKRRQHHQSA-N 0 3 371.397 2.135 20 5 FEBDHN Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000126787089 543956112 /nfs/dbraw/zinc/95/61/12/543956112.db2.gz KBSSIWSVCIDXPS-UHFFFAOYSA-N 0 3 361.427 2.427 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000129870631 544129942 /nfs/dbraw/zinc/12/99/42/544129942.db2.gz PGEHCDXSVWVNOQ-QGZVFWFLSA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1ccccc1COC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000131253393 544182716 /nfs/dbraw/zinc/18/27/16/544182716.db2.gz OGHGWVPSEOBSOZ-GOSISDBHSA-N 0 3 374.441 2.142 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130965566 544172663 /nfs/dbraw/zinc/17/26/63/544172663.db2.gz HAVOGMLUKAJBSO-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000132524498 544234354 /nfs/dbraw/zinc/23/43/54/544234354.db2.gz XXVSXGLRUHWNEE-AWEZNQCLSA-N 0 3 351.403 2.478 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000133287867 544263168 /nfs/dbraw/zinc/26/31/68/544263168.db2.gz JTGBSSOTIMAUMB-UHFFFAOYSA-N 0 3 359.430 2.127 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccc(F)cc2)CC1 ZINC000133033188 544253067 /nfs/dbraw/zinc/25/30/67/544253067.db2.gz RRFALRNBLRFOMR-UHFFFAOYSA-N 0 3 374.416 2.496 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134934422 544328055 /nfs/dbraw/zinc/32/80/55/544328055.db2.gz OGISUJRCIUNJCZ-RHSMWYFYSA-N 0 3 371.441 2.269 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134934403 544328239 /nfs/dbraw/zinc/32/82/39/544328239.db2.gz OGISUJRCIUNJCZ-YOEHRIQHSA-N 0 3 371.441 2.269 20 5 FEBDHN C[C@H]1CCCCN1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151388565 544535900 /nfs/dbraw/zinc/53/59/00/544535900.db2.gz QLHGGQVKCCXZES-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000152888982 544707562 /nfs/dbraw/zinc/70/75/62/544707562.db2.gz FVTOGSXVWDDAIH-HOCLYGCPSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCN1Cc1ccccc1 ZINC000154829355 544954720 /nfs/dbraw/zinc/95/47/20/544954720.db2.gz FJJFPQWMCKQZOA-IBGZPJMESA-N 0 3 369.425 2.357 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178947978 327618022 /nfs/dbraw/zinc/61/80/22/327618022.db2.gz KPGAVVUCKIBCRB-UHFFFAOYSA-N 0 3 369.487 2.273 20 5 FEBDHN CN(C)CCC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181569718 327736571 /nfs/dbraw/zinc/73/65/71/327736571.db2.gz HICJQMXUDYBWIE-UHFFFAOYSA-N 0 3 369.487 2.032 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000187318738 328016316 /nfs/dbraw/zinc/01/63/16/328016316.db2.gz WVGQNUPVILTRLG-MRXNPFEDSA-N 0 3 359.430 2.064 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000188264135 328076532 /nfs/dbraw/zinc/07/65/32/328076532.db2.gz JVSOHGAJWGTGDR-UHFFFAOYSA-N 0 3 371.459 2.100 20 5 FEBDHN CC(C)c1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189795637 328168625 /nfs/dbraw/zinc/16/86/25/328168625.db2.gz GYNWMNGGJFWGJH-HNNXBMFYSA-N 0 3 362.474 2.332 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189925965 328176461 /nfs/dbraw/zinc/17/64/61/328176461.db2.gz HQFYRKKLYUERTR-CQSZACIVSA-N 0 3 351.447 2.271 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190064136 328185434 /nfs/dbraw/zinc/18/54/34/328185434.db2.gz JXPPBENIHCHVRZ-ZDUSSCGKSA-N 0 3 357.476 2.466 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000191645775 328275614 /nfs/dbraw/zinc/27/56/14/328275614.db2.gz XYXFPRVUGDRXFS-MRXNPFEDSA-N 0 3 371.441 2.405 20 5 FEBDHN CCC(CC)(CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000192697760 328333901 /nfs/dbraw/zinc/33/39/01/328333901.db2.gz ZKXQKDSSXRNXMW-GFCCVEGCSA-N 0 3 351.403 2.491 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CN(C)C)cc1 ZINC000017334041 324388076 /nfs/dbraw/zinc/38/80/76/324388076.db2.gz WKKNXYFZMXEOJK-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000083027286 325210380 /nfs/dbraw/zinc/21/03/80/325210380.db2.gz SUAFACJYFXPYOI-STQMWFEESA-N 0 3 353.394 2.353 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455777 325254661 /nfs/dbraw/zinc/25/46/61/325254661.db2.gz STZOZFPVEHXFLY-BETUJISGSA-N 0 3 353.394 2.353 20 5 FEBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410444 325358255 /nfs/dbraw/zinc/35/82/55/325358255.db2.gz YHEJJCBUFWBSKI-OCCSQVGLSA-N 0 3 350.419 2.448 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120028243 326223076 /nfs/dbraw/zinc/22/30/76/326223076.db2.gz DYJMQQZAPBHOEO-SFHVURJKSA-N 0 3 370.409 2.483 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122391421 326395024 /nfs/dbraw/zinc/39/50/24/326395024.db2.gz UFMGSBOTGSGJTC-KGLIPLIRSA-N 0 3 353.444 2.008 20 5 FEBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000124678748 326458142 /nfs/dbraw/zinc/45/81/42/326458142.db2.gz WVVJSGCCQSUKEQ-UHFFFAOYSA-N 0 3 361.489 2.365 20 5 FEBDHN COCCN1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000127910782 326514727 /nfs/dbraw/zinc/51/47/27/326514727.db2.gz NLJBURRDJBERLP-UHFFFAOYSA-N 0 3 350.419 2.444 20 5 FEBDHN CCN(CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000127928053 326514998 /nfs/dbraw/zinc/51/49/98/326514998.db2.gz BDLIJZMUQOIVRX-HNNXBMFYSA-N 0 3 359.430 2.450 20 5 FEBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000171679862 327154450 /nfs/dbraw/zinc/15/44/50/327154450.db2.gz OPRUSBFJYZCXGK-UHFFFAOYSA-N 0 3 363.393 2.223 20 5 FEBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000171679862 327154451 /nfs/dbraw/zinc/15/44/51/327154451.db2.gz OPRUSBFJYZCXGK-UHFFFAOYSA-N 0 3 363.393 2.223 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000173626331 327272072 /nfs/dbraw/zinc/27/20/72/327272072.db2.gz SUWDXIGJUWJCCM-CQSZACIVSA-N 0 3 353.444 2.091 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000173627209 327272114 /nfs/dbraw/zinc/27/21/14/327272114.db2.gz YDXXBMQGFUHPTE-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000174184724 327311189 /nfs/dbraw/zinc/31/11/89/327311189.db2.gz NAUDTCAKHPEGBD-JSGCOSHPSA-N 0 3 350.419 2.228 20 5 FEBDHN CCc1ccc(C(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174230838 327314462 /nfs/dbraw/zinc/31/44/62/327314462.db2.gz ZFEYTZLSKACHLS-HNNXBMFYSA-N 0 3 362.474 2.161 20 5 FEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000174724987 327346128 /nfs/dbraw/zinc/34/61/28/327346128.db2.gz IPNNNXXFECNKGR-GWCFXTLKSA-N 0 3 374.319 2.402 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000174737839 327347241 /nfs/dbraw/zinc/34/72/41/327347241.db2.gz AUAKCWKJASEEDQ-GOSISDBHSA-N 0 3 362.405 2.246 20 5 FEBDHN C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648922 327597992 /nfs/dbraw/zinc/59/79/92/327597992.db2.gz LNXPWDFXUVZLDP-RHSMWYFYSA-N 0 3 351.472 2.453 20 5 FEBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262238468 328853527 /nfs/dbraw/zinc/85/35/27/328853527.db2.gz OVYKWLOCDOYEDU-UHFFFAOYSA-N 0 3 361.789 2.305 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264880121 329070612 /nfs/dbraw/zinc/07/06/12/329070612.db2.gz CMOJIAIYOSJUSW-ZDUSSCGKSA-N 0 3 363.414 2.360 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566472 329236763 /nfs/dbraw/zinc/23/67/63/329236763.db2.gz RLQDHQZYPFLRAC-KGLIPLIRSA-N 0 3 363.414 2.311 20 5 FEBDHN CN(C)[C@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267303291 329312711 /nfs/dbraw/zinc/31/27/11/329312711.db2.gz LZHFWEOLCSOVRE-KRWDZBQOSA-N 0 3 351.472 2.426 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267411658 329324572 /nfs/dbraw/zinc/32/45/72/329324572.db2.gz KOGCKRGXPPWGIV-IUODEOHRSA-N 0 3 357.414 2.267 20 5 FEBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267411660 329324580 /nfs/dbraw/zinc/32/45/80/329324580.db2.gz KOGCKRGXPPWGIV-WFASDCNBSA-N 0 3 357.414 2.267 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000267939593 329370133 /nfs/dbraw/zinc/37/01/33/329370133.db2.gz NSRIEOOSVMANPL-UHFFFAOYSA-N 0 3 363.393 2.423 20 5 FEBDHN COc1cc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268234882 329399872 /nfs/dbraw/zinc/39/98/72/329399872.db2.gz WEBSOMJTNLDCQI-UHFFFAOYSA-N 0 3 353.394 2.291 20 5 FEBDHN C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858133 329462392 /nfs/dbraw/zinc/46/23/92/329462392.db2.gz RIZMMIAWXHBUIF-WFASDCNBSA-N 0 3 360.366 2.414 20 5 FEBDHN C[C@H](NC(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000269703856 329541707 /nfs/dbraw/zinc/54/17/07/329541707.db2.gz MOPTYGZFIHBAGB-AWEZNQCLSA-N 0 3 372.425 2.002 20 5 FEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1N(C)C ZINC000270340343 329592462 /nfs/dbraw/zinc/59/24/62/329592462.db2.gz DTYSLTAQGJHJCW-GHMZBOCLSA-N 0 3 361.265 2.234 20 5 FEBDHN CS[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271609759 329707508 /nfs/dbraw/zinc/70/75/08/329707508.db2.gz KBQZAPHZYMHEAB-QWRGUYRKSA-N 0 3 361.265 2.234 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CCCO)c2ccccc2)c1 ZINC000271760354 329722448 /nfs/dbraw/zinc/72/24/48/329722448.db2.gz HOJSYERXHWDMJA-HKUYNNGSSA-N 0 3 360.410 2.438 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000273517437 329871214 /nfs/dbraw/zinc/87/12/14/329871214.db2.gz NGLBTYYEZGUGMA-CQSZACIVSA-N 0 3 369.487 2.129 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000275107430 330011112 /nfs/dbraw/zinc/01/11/12/330011112.db2.gz KVMSXSMBJBKPLT-HOCLYGCPSA-N 0 3 365.455 2.255 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)C(C)(C)C1 ZINC000275461352 330051294 /nfs/dbraw/zinc/05/12/94/330051294.db2.gz NHTMZDZWYHXDOW-OAHLLOKOSA-N 0 3 351.403 2.025 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000276427921 330150742 /nfs/dbraw/zinc/15/07/42/330150742.db2.gz WLZFQBWMQCXVAJ-UHFFFAOYSA-N 0 3 372.425 2.090 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367063904 330212901 /nfs/dbraw/zinc/21/29/01/330212901.db2.gz AMEAWPILKJAVJB-OAHLLOKOSA-N 0 3 371.441 2.169 20 5 FEBDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461426 330245007 /nfs/dbraw/zinc/24/50/07/330245007.db2.gz XWFNYAWNDVZEAF-CRAIPNDOSA-N 0 3 360.414 2.295 20 5 FEBDHN CC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155572951 545544900 /nfs/dbraw/zinc/54/49/00/545544900.db2.gz GQTMAQYBLALTQR-HNNXBMFYSA-N 0 3 371.441 2.343 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000478476974 561167943 /nfs/dbraw/zinc/16/79/43/561167943.db2.gz AZAZAHBTLWWDKL-UHFFFAOYSA-N 0 3 362.411 2.331 20 5 FEBDHN CSc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000171565577 546213619 /nfs/dbraw/zinc/21/36/19/546213619.db2.gz KSHCZIZAGIODIE-AWEZNQCLSA-N 0 3 367.471 2.500 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000176435140 546445758 /nfs/dbraw/zinc/44/57/58/546445758.db2.gz FDRLEWXSNYEIQQ-ZBFHGGJFSA-N 0 3 362.430 2.372 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480789651 561216918 /nfs/dbraw/zinc/21/69/18/561216918.db2.gz TVIXSRZQJXJUCA-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN COc1cnccc1N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000481059623 561224041 /nfs/dbraw/zinc/22/40/41/561224041.db2.gz MJGHMQCABINWCC-UHFFFAOYSA-N 0 3 355.398 2.293 20 5 FEBDHN Cc1c(CC(=O)N2CCN(CC3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000178721599 546839184 /nfs/dbraw/zinc/83/91/84/546839184.db2.gz ROSPWJXXWAHCDG-UHFFFAOYSA-N 0 3 361.442 2.017 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000180723444 547166781 /nfs/dbraw/zinc/16/67/81/547166781.db2.gz AWRMWZBBEGXOEX-SFHVURJKSA-N 0 3 370.409 2.483 20 5 FEBDHN C[C@@H]1OCC[C@H]1N(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277043 561272697 /nfs/dbraw/zinc/27/26/97/561272697.db2.gz IMHLIZNBIYTTFS-XJKSGUPXSA-N 0 3 361.398 2.264 20 5 FEBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000483400461 561276102 /nfs/dbraw/zinc/27/61/02/561276102.db2.gz CGRRYWKYDPADSF-CVEARBPZSA-N 0 3 367.446 2.315 20 5 FEBDHN CCCN1CCC(N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181945588 547410992 /nfs/dbraw/zinc/41/09/92/547410992.db2.gz PZZJIARYGOJVFD-UHFFFAOYSA-N 0 3 369.487 2.175 20 5 FEBDHN C[C@@H](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000183297285 547634980 /nfs/dbraw/zinc/63/49/80/547634980.db2.gz ZMWLFIVVKLTVIX-HNNXBMFYSA-N 0 3 369.487 2.321 20 5 FEBDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183662486 547697243 /nfs/dbraw/zinc/69/72/43/547697243.db2.gz QIODNEQPDRYGLV-MRXNPFEDSA-N 0 3 369.487 2.321 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183911696 547738789 /nfs/dbraw/zinc/73/87/89/547738789.db2.gz BYKJQOQROWKJOF-QGZVFWFLSA-N 0 3 371.441 2.458 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCC(O)CC1 ZINC000184809899 547881689 /nfs/dbraw/zinc/88/16/89/547881689.db2.gz QVAHXWURUYCAFS-MRXNPFEDSA-N 0 3 363.458 2.127 20 5 FEBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000185875296 548049342 /nfs/dbraw/zinc/04/93/42/548049342.db2.gz AXNMYRVICCMXRR-HNNXBMFYSA-N 0 3 362.817 2.346 20 5 FEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564137 548499508 /nfs/dbraw/zinc/49/95/08/548499508.db2.gz KUQPVJOWTFXEFV-IINYFYTJSA-N 0 3 369.219 2.266 20 5 FEBDHN Cc1ccc(C)c(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000195250018 548602528 /nfs/dbraw/zinc/60/25/28/548602528.db2.gz UUPVQBFYEJOJFF-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236763772 548778226 /nfs/dbraw/zinc/77/82/26/548778226.db2.gz YEBALNZGKKBPGG-MRXNPFEDSA-N 0 3 359.430 2.429 20 5 FEBDHN CCOc1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000236904742 548787996 /nfs/dbraw/zinc/78/79/96/548787996.db2.gz QVJPLRRAAOYYRU-UHFFFAOYSA-N 0 3 358.398 2.298 20 5 FEBDHN CC[C@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000237055778 548797213 /nfs/dbraw/zinc/79/72/13/548797213.db2.gz FSYUMXIUUJTXDL-UONOGXRCSA-N 0 3 355.460 2.432 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1C ZINC000246085917 549048756 /nfs/dbraw/zinc/04/87/56/549048756.db2.gz GGFXVZRTQNGLRK-DOMZBBRYSA-N 0 3 355.460 2.172 20 5 FEBDHN O=C1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000246315548 549103767 /nfs/dbraw/zinc/10/37/67/549103767.db2.gz RDTHLMPPGDIVHE-HOCLYGCPSA-N 0 3 359.426 2.449 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000246699086 549190770 /nfs/dbraw/zinc/19/07/70/549190770.db2.gz WDGBWYUCHKODJR-GXTWGEPZSA-N 0 3 363.414 2.168 20 5 FEBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000246716524 549194613 /nfs/dbraw/zinc/19/46/13/549194613.db2.gz KAAFBOIETJKBFS-GOEBONIOSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1c(NC(=O)CCN2CCS[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246789697 549212776 /nfs/dbraw/zinc/21/27/76/549212776.db2.gz ISQIBWOIEZHHKM-HZPDHXFCSA-N 0 3 365.455 2.438 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000248367145 549422852 /nfs/dbraw/zinc/42/28/52/549422852.db2.gz SYNGDZYEKMEROM-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@@H]1C ZINC000489395444 561409931 /nfs/dbraw/zinc/40/99/31/561409931.db2.gz CTWVZFUNRSBULI-PBHICJAKSA-N 0 3 365.430 2.358 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000249734450 549620692 /nfs/dbraw/zinc/62/06/92/549620692.db2.gz CXNFDUNTVYWELB-CHWSQXEVSA-N 0 3 365.430 2.462 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@H](OC)C1 ZINC000251849685 549655270 /nfs/dbraw/zinc/65/52/70/549655270.db2.gz NKMFZKKUCSPQEG-BLLLJJGKSA-N 0 3 351.403 2.289 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000253352805 549682641 /nfs/dbraw/zinc/68/26/41/549682641.db2.gz RIYDYGPAQLVPKR-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000253357896 549683551 /nfs/dbraw/zinc/68/35/51/549683551.db2.gz JHUZDOPUHBNHOM-OLZOCXBDSA-N 0 3 362.430 2.078 20 5 FEBDHN COCCN(C)CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269207443 550167596 /nfs/dbraw/zinc/16/75/96/550167596.db2.gz JQNWMRTXNVEXRQ-UHFFFAOYSA-N 0 3 364.446 2.237 20 5 FEBDHN COc1cc(CN(C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492728840 561452570 /nfs/dbraw/zinc/45/25/70/561452570.db2.gz QCQDTQDWVQNFFE-UHFFFAOYSA-N 0 3 351.447 2.394 20 5 FEBDHN CN1CCN(CC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000269665657 550215216 /nfs/dbraw/zinc/21/52/16/550215216.db2.gz VLFLUZVPHUNHIS-UHFFFAOYSA-N 0 3 354.401 2.337 20 5 FEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1N(C)C ZINC000270850978 550313770 /nfs/dbraw/zinc/31/37/70/550313770.db2.gz PTBXMHRIOBBGMV-GJZGRUSLSA-N 0 3 360.439 2.261 20 5 FEBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870962 550315871 /nfs/dbraw/zinc/31/58/71/550315871.db2.gz OCJPTJYNRXBODF-IEBWSBKVSA-N 0 3 369.421 2.208 20 5 FEBDHN Cc1cc(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271572692 550386879 /nfs/dbraw/zinc/38/68/79/550386879.db2.gz AFFUZMQJKOOPAM-INIZCTEOSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271572692 550386881 /nfs/dbraw/zinc/38/68/81/550386881.db2.gz AFFUZMQJKOOPAM-INIZCTEOSA-N 0 3 360.414 2.246 20 5 FEBDHN COc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000272452592 550449372 /nfs/dbraw/zinc/44/93/72/550449372.db2.gz MVWFHBZIGSFDNB-CABCVRRESA-N 0 3 362.430 2.229 20 5 FEBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486014 550452362 /nfs/dbraw/zinc/45/23/62/550452362.db2.gz RMEKRDNZRBGWET-HIFRSBDPSA-N 0 3 355.398 2.085 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497583 550452938 /nfs/dbraw/zinc/45/29/38/550452938.db2.gz GHPSLKJQRPMXPD-BVGQSLNGSA-N 0 3 355.442 2.490 20 5 FEBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521061 550455076 /nfs/dbraw/zinc/45/50/76/550455076.db2.gz PXHNNOONLFWLMO-OLZOCXBDSA-N 0 3 353.423 2.026 20 5 FEBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000273362429 550495427 /nfs/dbraw/zinc/49/54/27/550495427.db2.gz QTGZKXZEPQOZMG-SJORKVTESA-N 0 3 360.410 2.390 20 5 FEBDHN CCN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000273649216 550506803 /nfs/dbraw/zinc/50/68/03/550506803.db2.gz UDBVIMQHNMRQIA-UHFFFAOYSA-N 0 3 356.430 2.134 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274037362 550520547 /nfs/dbraw/zinc/52/05/47/550520547.db2.gz MZBHILJITOBGKZ-JKSUJKDBSA-N 0 3 364.471 2.045 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cc[nH]c(=O)c2C1 ZINC000276999234 550620390 /nfs/dbraw/zinc/62/03/90/550620390.db2.gz WCYLBIUNQRPIAW-UHFFFAOYSA-N 0 3 372.381 2.091 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278216170 550761635 /nfs/dbraw/zinc/76/16/35/550761635.db2.gz RNPBDPZTAGXAEZ-LBPRGKRZSA-N 0 3 355.822 2.479 20 5 FEBDHN Cc1c(CC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278905265 550834424 /nfs/dbraw/zinc/83/44/24/550834424.db2.gz SELKVASBUNLEIS-AWEZNQCLSA-N 0 3 361.442 2.157 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000279854446 550936195 /nfs/dbraw/zinc/93/61/95/550936195.db2.gz PFCOWLZGQDPSMH-BONVTDFDSA-N 0 3 355.797 2.482 20 5 FEBDHN CCOc1cc(N2CCN(CCCn3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000280299149 550978120 /nfs/dbraw/zinc/97/81/20/550978120.db2.gz VOCKOTQHQRWADA-UHFFFAOYSA-N 0 3 359.430 2.402 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(OC)c2)N(C)C)n1 ZINC000280651614 551017463 /nfs/dbraw/zinc/01/74/63/551017463.db2.gz AEHOURHHRFHVAZ-MRXNPFEDSA-N 0 3 374.397 2.500 20 5 FEBDHN CNC(=O)[C@@]1(C)CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658490 551018564 /nfs/dbraw/zinc/01/85/64/551018564.db2.gz DSUJMWUPJQAXSG-DIFFPNOSSA-N 0 3 359.386 2.164 20 5 FEBDHN CN(CC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390051 561500011 /nfs/dbraw/zinc/50/00/11/561500011.db2.gz YNRPBGKBNVZBDU-SJORKVTESA-N 0 3 368.437 2.245 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCCOC)CC2)c1 ZINC000283948136 551455304 /nfs/dbraw/zinc/45/53/04/551455304.db2.gz LDMFQRFGIVPVLB-UHFFFAOYSA-N 0 3 365.430 2.224 20 5 FEBDHN C[C@H]1CCN(C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000498711808 561532582 /nfs/dbraw/zinc/53/25/82/561532582.db2.gz VOFZTUBAMSTTKN-ZDUSSCGKSA-N 0 3 357.414 2.162 20 5 FEBDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285267321 551729198 /nfs/dbraw/zinc/72/91/98/551729198.db2.gz XZKQXRBQOUVZRC-LBPRGKRZSA-N 0 3 351.403 2.409 20 5 FEBDHN CC(C)[C@H](NC1CCOCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287793997 552047297 /nfs/dbraw/zinc/04/72/97/552047297.db2.gz TUBVZYKKHDEBLF-HNNXBMFYSA-N 0 3 361.402 2.203 20 5 FEBDHN C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CN(C)C ZINC000291686770 552651149 /nfs/dbraw/zinc/65/11/49/552651149.db2.gz FTJRVNSVEPCXKW-SECBINFHSA-N 0 3 351.375 2.201 20 5 FEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@]2(CCN(C)C2)C1 ZINC000292241956 552708009 /nfs/dbraw/zinc/70/80/09/552708009.db2.gz JNTBPCSMZGQZOI-KRWDZBQOSA-N 0 3 351.378 2.443 20 5 FEBDHN CCN(C)C(=O)[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000294953668 552947021 /nfs/dbraw/zinc/94/70/21/552947021.db2.gz DHRVZSOFBFIHLN-GUYCJALGSA-N 0 3 364.446 2.404 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000295441709 553007513 /nfs/dbraw/zinc/00/75/13/553007513.db2.gz WTFZXXVGEIHXQK-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN CC[C@H](C)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296077886 553101128 /nfs/dbraw/zinc/10/11/28/553101128.db2.gz OYXDXUVIFVBYEG-AWEZNQCLSA-N 0 3 364.446 2.348 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296422017 553157064 /nfs/dbraw/zinc/15/70/64/553157064.db2.gz VRKIHWDUURHPGT-OLMNPRSZSA-N 0 3 357.410 2.031 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000297272225 553271875 /nfs/dbraw/zinc/27/18/75/553271875.db2.gz UQKXLBKKCYMTNO-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000297697469 553326464 /nfs/dbraw/zinc/32/64/64/553326464.db2.gz LZVQOISNKWCORB-NEPJUHHUSA-N 0 3 351.378 2.441 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297733688 553331947 /nfs/dbraw/zinc/33/19/47/553331947.db2.gz CBLFOCOYPZNOHX-OAHLLOKOSA-N 0 3 362.430 2.222 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000298608821 553448492 /nfs/dbraw/zinc/44/84/92/553448492.db2.gz LYGDFWUROPKRIS-UHFFFAOYSA-N 0 3 362.430 2.093 20 5 FEBDHN COc1ccc(CNC(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000298916630 553489109 /nfs/dbraw/zinc/48/91/09/553489109.db2.gz GVXOESGGQMELSF-CYBMUJFWSA-N 0 3 350.419 2.277 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000299385056 553556250 /nfs/dbraw/zinc/55/62/50/553556250.db2.gz YVIMCTPUPIMGLN-MRXNPFEDSA-N 0 3 357.414 2.053 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000301346636 553644099 /nfs/dbraw/zinc/64/40/99/553644099.db2.gz JZALEGNQSMPPJN-LBPRGKRZSA-N 0 3 352.391 2.082 20 5 FEBDHN C[C@@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1C ZINC000301444606 553652175 /nfs/dbraw/zinc/65/21/75/553652175.db2.gz VEXYYXPCXGUPCG-UKRRQHHQSA-N 0 3 371.441 2.478 20 5 FEBDHN Cn1cnc([N+](=O)[O-])c1NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000506055178 561688819 /nfs/dbraw/zinc/68/88/19/561688819.db2.gz BMEATYHDIBWOHN-INIZCTEOSA-N 0 3 358.446 2.119 20 5 FEBDHN C[C@H]1CCC[C@@H](C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952534 561747075 /nfs/dbraw/zinc/74/70/75/561747075.db2.gz SAXBVXAXSSIJMV-UONOGXRCSA-N 0 3 355.460 2.289 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1C ZINC000331389837 554256431 /nfs/dbraw/zinc/25/64/31/554256431.db2.gz LYEHHYBAZJWTSL-HNNXBMFYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000332158516 554392218 /nfs/dbraw/zinc/39/22/18/554392218.db2.gz XZDKJCSSGFKJKW-UHFFFAOYSA-N 0 3 374.485 2.393 20 5 FEBDHN COc1cccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000332199665 554399818 /nfs/dbraw/zinc/39/98/18/554399818.db2.gz QEDZPIRISCFAME-HIFRSBDPSA-N 0 3 365.455 2.255 20 5 FEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000332381718 554435536 /nfs/dbraw/zinc/43/55/36/554435536.db2.gz HEPIGTYIOOJQNC-KBXCAEBGSA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332445877 554447653 /nfs/dbraw/zinc/44/76/53/554447653.db2.gz KUPBWLBVYZFPFK-XIKOKIGWSA-N 0 3 360.414 2.274 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332445875 554447662 /nfs/dbraw/zinc/44/76/62/554447662.db2.gz KUPBWLBVYZFPFK-SGTLLEGYSA-N 0 3 360.414 2.274 20 5 FEBDHN COc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363187804 555048917 /nfs/dbraw/zinc/04/89/17/555048917.db2.gz SGEIEQLTJRUQHT-LBPRGKRZSA-N 0 3 363.414 2.359 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(C2CCOCC2)CC1 ZINC000363238716 555061297 /nfs/dbraw/zinc/06/12/97/555061297.db2.gz IRCHWPDOLMPTFV-UHFFFAOYSA-N 0 3 351.378 2.061 20 5 FEBDHN COc1cc(CN2CC[C@@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1OC ZINC000364654232 555363827 /nfs/dbraw/zinc/36/38/27/555363827.db2.gz MVWQZMSXJHBEJH-GOSISDBHSA-N 0 3 363.414 2.056 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364743352 555391782 /nfs/dbraw/zinc/39/17/82/555391782.db2.gz QBJYTMYGULOYLJ-SJORKVTESA-N 0 3 360.414 2.086 20 5 FEBDHN COC(=O)[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000364765598 555396399 /nfs/dbraw/zinc/39/63/99/555396399.db2.gz XVWDGIGZCRRMLG-AWEZNQCLSA-N 0 3 363.414 2.363 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](COC(F)F)C1 ZINC000512821316 561916784 /nfs/dbraw/zinc/91/67/84/561916784.db2.gz BHFXDSXCOOMYQB-NSHDSACASA-N 0 3 373.356 2.493 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1c2ccccc2CC[C@H]1CO ZINC000365219044 555513659 /nfs/dbraw/zinc/51/36/59/555513659.db2.gz HLOMIHDYTGXHPW-RZQQEMMASA-N 0 3 372.421 2.220 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCCN1S(C)(=O)=O ZINC000513007921 561922443 /nfs/dbraw/zinc/92/24/43/561922443.db2.gz YNOXCGWQPXGYKI-QXSWTLKVSA-N 0 3 367.471 2.402 20 5 FEBDHN CS(=O)(=O)N1CCCC[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000513021589 561922636 /nfs/dbraw/zinc/92/26/36/561922636.db2.gz GNINAOCZPFLAFO-PMGBHYCQSA-N 0 3 353.444 2.012 20 5 FEBDHN O=C1NC(=O)[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000366482907 555856745 /nfs/dbraw/zinc/85/67/45/555856745.db2.gz OQJWCRRHJNRSLE-GJZGRUSLSA-N 0 3 371.418 2.418 20 5 FEBDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000366550741 555874246 /nfs/dbraw/zinc/87/42/46/555874246.db2.gz GOTPVQSZXDLRHX-ZIAGYGMSSA-N 0 3 365.434 2.123 20 5 FEBDHN CN(C)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1 ZINC000515046109 561993563 /nfs/dbraw/zinc/99/35/63/561993563.db2.gz KPYTVDCOBDBXJM-LBPRGKRZSA-N 0 3 351.794 2.014 20 5 FEBDHN N[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000368417939 556302757 /nfs/dbraw/zinc/30/27/57/556302757.db2.gz VGRJZHLTBKNOAK-IAGOWNOFSA-N 0 3 359.357 2.066 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368561418 556346224 /nfs/dbraw/zinc/34/62/24/556346224.db2.gz KHDWWVKTNLNWKZ-ZDUSSCGKSA-N 0 3 353.854 2.107 20 5 FEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@H](O)COCc3cccs3)C2)c1 ZINC000369020330 556478838 /nfs/dbraw/zinc/47/88/38/556478838.db2.gz WQRMFNICTULHIP-HIFRSBDPSA-N 0 3 366.443 2.067 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369311654 556571902 /nfs/dbraw/zinc/57/19/02/556571902.db2.gz XWXJUKUCXSZVNM-AHKGRUIUSA-N 0 3 372.469 2.094 20 5 FEBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCN(C2CCOCC2)CC1 ZINC000369551155 556628764 /nfs/dbraw/zinc/62/87/64/556628764.db2.gz RNUKEETZDYFFOM-AATRIKPKSA-N 0 3 359.426 2.321 20 5 FEBDHN O=C(CCN1CCC(CN2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369809774 556701228 /nfs/dbraw/zinc/70/12/28/556701228.db2.gz FLEDQJPCGSDNOV-UHFFFAOYSA-N 0 3 374.441 2.258 20 5 FEBDHN Cc1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370828833 556982241 /nfs/dbraw/zinc/98/22/41/556982241.db2.gz BNDMGZSDRKXYCL-HNNXBMFYSA-N 0 3 354.410 2.371 20 5 FEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC(=O)N(C)C1 ZINC000519759058 562142697 /nfs/dbraw/zinc/14/26/97/562142697.db2.gz MWPHEMJOJBBJRD-HNNXBMFYSA-N 0 3 358.398 2.345 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000555865939 674379323 /nfs/dbraw/zinc/37/93/23/674379323.db2.gz AZAGYAPZEXEIPF-SNVBAGLBSA-N 0 3 356.220 2.490 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000373083295 557624593 /nfs/dbraw/zinc/62/45/93/557624593.db2.gz ZUIWJKLGHYUGMT-OAHLLOKOSA-N 0 3 366.849 2.475 20 5 FEBDHN Cc1ccccc1OC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240999 557656702 /nfs/dbraw/zinc/65/67/02/557656702.db2.gz IZIJWUOEMNHRKJ-MRXNPFEDSA-N 0 3 360.414 2.177 20 5 FEBDHN COc1cccc([C@H]2[C@@H](NCc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850215 557940535 /nfs/dbraw/zinc/94/05/35/557940535.db2.gz KVBGPXUPSKFCFU-WMZOPIPTSA-N 0 3 371.441 2.405 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375010346 557963867 /nfs/dbraw/zinc/96/38/67/557963867.db2.gz APZYLWIHIHNSGP-LZLYRXPVSA-N 0 3 364.442 2.473 20 5 FEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623732 558058229 /nfs/dbraw/zinc/05/82/29/558058229.db2.gz LBDUIYTUVZBSJW-ZBFHGGJFSA-N 0 3 367.471 2.026 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375887031 558093842 /nfs/dbraw/zinc/09/38/42/558093842.db2.gz BKKRTMLOSIDMKF-SFHVURJKSA-N 0 3 362.474 2.204 20 5 FEBDHN Cc1c(C(=O)NC[C@@H]2NCCc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375989021 558110481 /nfs/dbraw/zinc/11/04/81/558110481.db2.gz HRRQSOCXIZRHQT-INIZCTEOSA-N 0 3 370.365 2.428 20 5 FEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1 ZINC000376767060 558219073 /nfs/dbraw/zinc/21/90/73/558219073.db2.gz GPIZIODVMDSIRC-BBRMVZONSA-N 0 3 365.386 2.160 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521902893 562186173 /nfs/dbraw/zinc/18/61/73/562186173.db2.gz VFPWRQFXRGXLEF-UHFFFAOYSA-N 0 3 352.435 2.203 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000377078846 558261579 /nfs/dbraw/zinc/26/15/79/558261579.db2.gz QGIAOSQOIPUYGO-MRXNPFEDSA-N 0 3 357.366 2.419 20 5 FEBDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000377236928 558295698 /nfs/dbraw/zinc/29/56/98/558295698.db2.gz GVNFYMCAYGQEPZ-BTTYYORXSA-N 0 3 365.434 2.311 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000522247070 562194992 /nfs/dbraw/zinc/19/49/92/562194992.db2.gz ROITZWXMTKBQJQ-UHFFFAOYSA-N 0 3 355.398 2.302 20 5 FEBDHN CN1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377645948 558385808 /nfs/dbraw/zinc/38/58/08/558385808.db2.gz GVSMJYIXTSDERD-AEFFLSMTSA-N 0 3 372.400 2.368 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000377780532 558418414 /nfs/dbraw/zinc/41/84/14/558418414.db2.gz QKBJINJBGPZVOV-CQSZACIVSA-N 0 3 373.413 2.384 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000378531994 558576484 /nfs/dbraw/zinc/57/64/84/558576484.db2.gz IYKTYSJTHSVKEX-UHFFFAOYSA-N 0 3 358.402 2.112 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCc2c(cnn2C)C1 ZINC000411856899 558977351 /nfs/dbraw/zinc/97/73/51/558977351.db2.gz RXAMURBGPLHBMK-UHFFFAOYSA-N 0 3 373.413 2.114 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000411964289 558996326 /nfs/dbraw/zinc/99/63/26/558996326.db2.gz DBEZMWCKTQGWPN-GTNSWQLSSA-N 0 3 351.403 2.335 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003517 559001494 /nfs/dbraw/zinc/00/14/94/559001494.db2.gz XGAXMCKDUZMGPV-QZTJIDSGSA-N 0 3 372.425 2.006 20 5 FEBDHN CN(C)CCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412130521 559016240 /nfs/dbraw/zinc/01/62/40/559016240.db2.gz VNYQNVMABKWHHH-ZWKOTPCHSA-N 0 3 361.442 2.268 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1F ZINC000412186462 559019093 /nfs/dbraw/zinc/01/90/93/559019093.db2.gz SCFFZJLZGGYJEP-YPMHNXCESA-N 0 3 353.394 2.130 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414522273 559169868 /nfs/dbraw/zinc/16/98/68/559169868.db2.gz GMKMPYPZGARXHX-GFCCVEGCSA-N 0 3 352.387 2.194 20 5 FEBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000570130949 568453086 /nfs/dbraw/zinc/45/30/86/568453086.db2.gz YLVOBCZTJWUFNV-UHFFFAOYSA-N 0 3 364.183 2.402 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000416561428 559321971 /nfs/dbraw/zinc/32/19/71/559321971.db2.gz ULBQLFYJVXVGIO-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416663107 559328505 /nfs/dbraw/zinc/32/85/05/559328505.db2.gz PTWYQWTYTJHGGY-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420398851 559485379 /nfs/dbraw/zinc/48/53/79/559485379.db2.gz ZFPHFVYVRAZHIE-UYHISHBKSA-N 0 3 372.400 2.488 20 5 FEBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420446833 559487773 /nfs/dbraw/zinc/48/77/73/559487773.db2.gz UJYMKZAZMKKWLI-QMMMGPOBSA-N 0 3 355.338 2.019 20 5 FEBDHN CN(C)CCOc1ccccc1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420592161 559493267 /nfs/dbraw/zinc/49/32/67/559493267.db2.gz ZJDJVWYVLVJLGG-UHFFFAOYSA-N 0 3 358.398 2.246 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000427373667 559754346 /nfs/dbraw/zinc/75/43/46/559754346.db2.gz BRBYUBIFYUBSTP-ZBFHGGJFSA-N 0 3 371.441 2.452 20 5 FEBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)n(C2CCN(C)CC2)n1 ZINC000431603687 559842276 /nfs/dbraw/zinc/84/22/76/559842276.db2.gz KJBXNJJGVRIYQF-UHFFFAOYSA-N 0 3 358.402 2.201 20 5 FEBDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000440502130 560012605 /nfs/dbraw/zinc/01/26/05/560012605.db2.gz GMWNDIDVMXYEJZ-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440522393 560013509 /nfs/dbraw/zinc/01/35/09/560013509.db2.gz ZFGRYBUDZVNPPI-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN COC(=O)[C@H]1CC12CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000441396127 560031343 /nfs/dbraw/zinc/03/13/43/560031343.db2.gz UAGRIVIOSCTJHT-CQSZACIVSA-N 0 3 364.398 2.257 20 5 FEBDHN COc1ccc(NC(=O)C(=O)Nc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000446670120 560149469 /nfs/dbraw/zinc/14/94/69/560149469.db2.gz AFUOEZFXFPJWDB-UHFFFAOYSA-N 0 3 372.381 2.242 20 5 FEBDHN COc1ccccc1CCNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449300008 560224086 /nfs/dbraw/zinc/22/40/86/560224086.db2.gz NNWDUXHFVVREKL-HNNXBMFYSA-N 0 3 371.437 2.483 20 5 FEBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000449523601 560232580 /nfs/dbraw/zinc/23/25/80/560232580.db2.gz NVTURWVWYSSYPC-BETUJISGSA-N 0 3 357.391 2.028 20 5 FEBDHN C[C@@H]1CN(C2CC2)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451093173 560286686 /nfs/dbraw/zinc/28/66/86/560286686.db2.gz NFQXIBXNBKUBRZ-KDOFPFPSSA-N 0 3 358.442 2.116 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481129 560309559 /nfs/dbraw/zinc/30/95/59/560309559.db2.gz AETHAVKMGGZHAQ-PBHICJAKSA-N 0 3 351.403 2.335 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484796 560309806 /nfs/dbraw/zinc/30/98/06/560309806.db2.gz XSUAELLIGKTBTB-IAGOWNOFSA-N 0 3 359.426 2.421 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505478 560311014 /nfs/dbraw/zinc/31/10/14/560311014.db2.gz UHHPNUVQNNAFNK-UHNFBRDESA-N 0 3 351.403 2.191 20 5 FEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000451543482 560313632 /nfs/dbraw/zinc/31/36/32/560313632.db2.gz BYYMXQVWZADCLI-WMZOPIPTSA-N 0 3 364.442 2.331 20 5 FEBDHN CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000453153026 560383993 /nfs/dbraw/zinc/38/39/93/560383993.db2.gz YDRBAXNIALWPSX-AWEZNQCLSA-N 0 3 355.460 2.432 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000453454339 560387119 /nfs/dbraw/zinc/38/71/19/560387119.db2.gz TXCZQHFOQNEKSW-XPKDYRNWSA-N 0 3 360.414 2.055 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)CN1CCCCC1 ZINC000454297351 560438481 /nfs/dbraw/zinc/43/84/81/560438481.db2.gz HJVSATOSSJRGDC-LLVKDONJSA-N 0 3 356.810 2.217 20 5 FEBDHN CNc1nc(C(=O)Nc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000454827892 560459914 /nfs/dbraw/zinc/45/99/14/560459914.db2.gz NNTNVULYZMLCFA-UHFFFAOYSA-N 0 3 359.386 2.224 20 5 FEBDHN Cc1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1CN(C)C ZINC000458321300 560614955 /nfs/dbraw/zinc/61/49/55/560614955.db2.gz QAKPXZYKHVBPJC-UHFFFAOYSA-N 0 3 370.409 2.333 20 5 FEBDHN CC[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514625 560628779 /nfs/dbraw/zinc/62/87/79/560628779.db2.gz RDSLLUHZOHEBQD-IRXDYDNUSA-N 0 3 364.446 2.192 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459655419 560700535 /nfs/dbraw/zinc/70/05/35/560700535.db2.gz DEOTVGPDJFVPPO-GDBMZVCRSA-N 0 3 373.409 2.394 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459668758 560701105 /nfs/dbraw/zinc/70/11/05/560701105.db2.gz TWOMDLHEYRFUQK-CYBMUJFWSA-N 0 3 362.352 2.472 20 5 FEBDHN CN(C)CC1(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000467728323 560916177 /nfs/dbraw/zinc/91/61/77/560916177.db2.gz POTVIQAYOOPGKE-UHFFFAOYSA-N 0 3 358.398 2.122 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000469949092 560969559 /nfs/dbraw/zinc/96/95/59/560969559.db2.gz AKQXLCMWNDBRME-SFHVURJKSA-N 0 3 361.442 2.241 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000470173731 560976074 /nfs/dbraw/zinc/97/60/74/560976074.db2.gz NFEFGKZBVVJADP-NRMGUKERSA-N 0 3 372.469 2.237 20 5 FEBDHN C[C@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813539 562424719 /nfs/dbraw/zinc/42/47/19/562424719.db2.gz ZKGDHDXPFWUCOK-MGPUTAFESA-N 0 3 369.421 2.409 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000531654010 562452984 /nfs/dbraw/zinc/45/29/84/562452984.db2.gz BEKZTZXKIFNVCD-UHFFFAOYSA-N 0 3 372.425 2.390 20 5 FEBDHN C[C@@H]1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000533038975 562496486 /nfs/dbraw/zinc/49/64/86/562496486.db2.gz ZJJZNDOPAFXZPQ-STQMWFEESA-N 0 3 355.460 2.287 20 5 FEBDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568810 608470039 /nfs/dbraw/zinc/47/00/39/608470039.db2.gz DCPNWJULRTZVKI-MEDUHNTESA-N 0 3 354.370 2.159 20 5 FEBDHN Cc1occc1C(=O)Nc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813103256 674719605 /nfs/dbraw/zinc/71/96/05/674719605.db2.gz ZIMBOHWACJKYAW-MRVPVSSYSA-N 0 3 353.356 2.048 20 5 FEBDHN CC(COC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)[N+](=O)[O-] ZINC000813111718 674721119 /nfs/dbraw/zinc/72/11/19/674721119.db2.gz KNTTWEBHLDWKLW-ZDUSSCGKSA-N 0 3 363.391 2.483 20 5 FEBDHN CCOC(=O)N1[C@H](C(=O)OCC(C)[N+](=O)[O-])CC[C@H]1c1ccc(C)o1 ZINC000813104676 674720116 /nfs/dbraw/zinc/72/01/16/674720116.db2.gz FTOOAAQOFIZXMJ-DRZSPHRISA-N 0 3 354.359 2.458 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]2C1 ZINC001048814709 675015549 /nfs/dbraw/zinc/01/55/49/675015549.db2.gz YYJOOKCMVALZTP-OQMKEHIESA-N 0 3 367.808 2.035 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816945546 675089472 /nfs/dbraw/zinc/08/94/72/675089472.db2.gz JHEHUVOZTJFKOT-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000816950190 675089809 /nfs/dbraw/zinc/08/98/09/675089809.db2.gz MZKFCBOCARPTIF-QPUJVOFHSA-N 0 3 372.194 2.273 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000608780869 675903186 /nfs/dbraw/zinc/90/31/86/675903186.db2.gz GKDLCEOMCNUEKT-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN(C)C2CCCC2)c1C ZINC000609199136 675913858 /nfs/dbraw/zinc/91/38/58/675913858.db2.gz FHADVUKYMRUVNB-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CSC1(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000580367204 671800606 /nfs/dbraw/zinc/80/06/06/671800606.db2.gz PRWIIUGJQNEITD-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610135188 675956226 /nfs/dbraw/zinc/95/62/26/675956226.db2.gz MEDREMDZTAJSRN-NEPJUHHUSA-N 0 3 359.423 2.227 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000133493830 672111709 /nfs/dbraw/zinc/11/17/09/672111709.db2.gz GGSJYJKNSJZAPM-LBPRGKRZSA-N 0 3 359.423 2.053 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590442732 672582885 /nfs/dbraw/zinc/58/28/85/672582885.db2.gz GUXMFSXNBNVGEV-WDMOLILDSA-N 0 3 353.806 2.178 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000592543908 672813031 /nfs/dbraw/zinc/81/30/31/672813031.db2.gz XMOJRUPQZNCBLS-DGCLKSJQSA-N 0 3 355.822 2.472 20 5 FEBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594778214 673138971 /nfs/dbraw/zinc/13/89/71/673138971.db2.gz FADLHSVMKNWOCR-LBPRGKRZSA-N 0 3 366.443 2.150 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000539480944 673492379 /nfs/dbraw/zinc/49/23/79/673492379.db2.gz CNEKCZTYTCQUBT-ZIAGYGMSSA-N 0 3 372.878 2.164 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598601994 673588228 /nfs/dbraw/zinc/58/82/28/673588228.db2.gz YOEQFXCMCAMHTC-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000544660599 673724128 /nfs/dbraw/zinc/72/41/28/673724128.db2.gz JWFGYLOWDBYRLB-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601357004 673847608 /nfs/dbraw/zinc/84/76/08/673847608.db2.gz YDGBTXWOPKGLJI-OCCSQVGLSA-N 0 3 373.450 2.393 20 5 FEBDHN COC[C@@](C)(O)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674360 673909589 /nfs/dbraw/zinc/90/95/89/673909589.db2.gz OWJQLWLYJKXGAH-NSHDSACASA-N 0 3 353.238 2.296 20 5 FEBDHN Cc1noc(C)c1C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567690387 675313073 /nfs/dbraw/zinc/31/30/73/675313073.db2.gz AFGQWKOCGAXSBS-LLVKDONJSA-N 0 3 367.427 2.194 20 5 FEBDHN O=C(N1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1)C(F)(F)F ZINC000824829784 675624224 /nfs/dbraw/zinc/62/42/24/675624224.db2.gz RBCJUBBYELKWOU-OLZOCXBDSA-N 0 3 357.332 2.437 20 5 FEBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000829799945 677013492 /nfs/dbraw/zinc/01/34/92/677013492.db2.gz BUKBCVJDXXZSFE-STQMWFEESA-N 0 3 353.394 2.353 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1N1CCCC1 ZINC000832132259 680099589 /nfs/dbraw/zinc/09/95/89/680099589.db2.gz TXWXFWVEKFQUMX-LSDHHAIUSA-N 0 3 353.419 2.386 20 5 FEBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000754539053 680362003 /nfs/dbraw/zinc/36/20/03/680362003.db2.gz LVRJYQNOSGFXSR-GFCCVEGCSA-N 0 3 355.778 2.118 20 5 FEBDHN CCC(=O)N1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845873906 681158250 /nfs/dbraw/zinc/15/82/50/681158250.db2.gz FGWNUKZNMSRGEA-MQIPJXDCSA-N 0 3 352.362 2.334 20 5 FEBDHN CS[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000778402992 681608525 /nfs/dbraw/zinc/60/85/25/681608525.db2.gz MCLJCINCSQIGTF-STQMWFEESA-N 0 3 359.398 2.191 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000935867537 681840627 /nfs/dbraw/zinc/84/06/27/681840627.db2.gz CEJPCTOHXIXIND-AWEZNQCLSA-N 0 3 365.821 2.172 20 5 FEBDHN CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000850607793 681925407 /nfs/dbraw/zinc/92/54/07/681925407.db2.gz RLKFIGFCAJVBPB-GFCCVEGCSA-N 0 3 368.821 2.129 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000782403809 682038957 /nfs/dbraw/zinc/03/89/57/682038957.db2.gz AHOVXIHAUXSIHA-CYBMUJFWSA-N 0 3 364.471 2.477 20 5 FEBDHN O=C(CCN1CCC(O)(C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782552590 682057139 /nfs/dbraw/zinc/05/71/39/682057139.db2.gz WXEXXBVXBXRAHY-UHFFFAOYSA-N 0 3 361.320 2.155 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859356407 683092360 /nfs/dbraw/zinc/09/23/60/683092360.db2.gz XXRRSLAQOWOJCD-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2(CN(C)C)CCC2)c1 ZINC000798470321 683354588 /nfs/dbraw/zinc/35/45/88/683354588.db2.gz BCEUZHUGOHNDRD-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347728 683394557 /nfs/dbraw/zinc/39/45/57/683394557.db2.gz LLBCLLOYGWXQHN-ZUCKAHLUSA-N 0 3 354.378 2.490 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000925763246 684583735 /nfs/dbraw/zinc/58/37/35/684583735.db2.gz RDNDAVUQAMZWTF-LSDHHAIUSA-N 0 3 370.247 2.214 20 5 FEBDHN CSc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859079 688170383 /nfs/dbraw/zinc/17/03/83/688170383.db2.gz SXHHITCDUBBFQV-CQSZACIVSA-N 0 3 365.455 2.300 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900719354 690552884 /nfs/dbraw/zinc/55/28/84/690552884.db2.gz GTERYSAAPYVAJN-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1CN1CCCCC1 ZINC000028489094 539833230 /nfs/dbraw/zinc/83/32/30/539833230.db2.gz IBXDZKPQIDVXRF-UHFFFAOYSA-N 0 3 357.414 2.094 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000041644054 540028633 /nfs/dbraw/zinc/02/86/33/540028633.db2.gz GGZSIXXPZDXOGP-KBPBESRZSA-N 0 3 362.430 2.221 20 5 FEBDHN O=C(NCCN1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047139835 540291742 /nfs/dbraw/zinc/29/17/42/540291742.db2.gz NQOLNOBFEFCVSN-UHFFFAOYSA-N 0 3 360.458 2.413 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160025 540456554 /nfs/dbraw/zinc/45/65/54/540456554.db2.gz PXFKIQSLKQFPFR-STQMWFEESA-N 0 3 370.475 2.035 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887305 540558591 /nfs/dbraw/zinc/55/85/91/540558591.db2.gz ZIBNWEIZULBUTG-JTQLQIEISA-N 0 3 373.356 2.419 20 5 FEBDHN CCOc1cc(C(=O)NC[C@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057715311 540810689 /nfs/dbraw/zinc/81/06/89/540810689.db2.gz WKMBTMABUCULRH-NSHDSACASA-N 0 3 351.403 2.215 20 5 FEBDHN C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C1CC1 ZINC000057720603 540811915 /nfs/dbraw/zinc/81/19/15/540811915.db2.gz XHNGHFVLVVKVKP-AWEZNQCLSA-N 0 3 360.458 2.410 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000062227891 541145566 /nfs/dbraw/zinc/14/55/66/541145566.db2.gz SBVLHAFKESTAPJ-KRWDZBQOSA-N 0 3 371.441 2.352 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(Cl)cc2)c1 ZINC000065978383 541276248 /nfs/dbraw/zinc/27/62/48/541276248.db2.gz RNVQOGUGTOUFMX-UHFFFAOYSA-N 0 3 369.830 2.316 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000066014891 541277702 /nfs/dbraw/zinc/27/77/02/541277702.db2.gz UPKOLDJQYRYMJR-KRWDZBQOSA-N 0 3 373.409 2.401 20 5 FEBDHN Cc1ccccc1CN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000065785053 541261547 /nfs/dbraw/zinc/26/15/47/541261547.db2.gz MOWOWRPYVRJFMD-UHFFFAOYSA-N 0 3 371.441 2.271 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000067045100 541409941 /nfs/dbraw/zinc/40/99/41/541409941.db2.gz UFIFPAWUILKMEK-CQSZACIVSA-N 0 3 367.471 2.389 20 5 FEBDHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628395 541492680 /nfs/dbraw/zinc/49/26/80/541492680.db2.gz QVXHNOCNMVKCBI-RHSMWYFYSA-N 0 3 364.446 2.048 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(CO)Cc2ccccc2C1 ZINC000074326156 542070913 /nfs/dbraw/zinc/07/09/13/542070913.db2.gz VXZVQWCUMCXRLH-UHFFFAOYSA-N 0 3 369.421 2.351 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000075656589 542195760 /nfs/dbraw/zinc/19/57/60/542195760.db2.gz GEJJNWZPRPISEG-CYBMUJFWSA-N 0 3 355.460 2.446 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000075680218 542197947 /nfs/dbraw/zinc/19/79/47/542197947.db2.gz VDAMINKJQGEIGZ-GOSISDBHSA-N 0 3 362.405 2.246 20 5 FEBDHN CCc1nn(C)c(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478772 542809782 /nfs/dbraw/zinc/80/97/82/542809782.db2.gz WAWMGYINBKYNKI-ZIAGYGMSSA-N 0 3 365.478 2.216 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCCN(C)C1 ZINC000091482600 542810293 /nfs/dbraw/zinc/81/02/93/542810293.db2.gz CEQGXAGYHBJBMN-SNVBAGLBSA-N 0 3 352.347 2.043 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1C ZINC000247427693 549332727 /nfs/dbraw/zinc/33/27/27/549332727.db2.gz KWLFVIICBURVSJ-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@H](Nc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097024514 543002688 /nfs/dbraw/zinc/00/26/88/543002688.db2.gz MEMYJZFJNYEURE-CYBMUJFWSA-N 0 3 357.414 2.454 20 5 FEBDHN COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000101645970 543039171 /nfs/dbraw/zinc/03/91/71/543039171.db2.gz IDZPCLJIROQJMJ-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COCCN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106107060 543198821 /nfs/dbraw/zinc/19/88/21/543198821.db2.gz MCBCACJSWVUXGP-OAHLLOKOSA-N 0 3 374.441 2.445 20 5 FEBDHN O=C(CN1CCC[C@@H](N2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000108378200 543288121 /nfs/dbraw/zinc/28/81/21/543288121.db2.gz HDQDWJYXJOUNHL-GOSISDBHSA-N 0 3 372.469 2.434 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000116922564 543619908 /nfs/dbraw/zinc/61/99/08/543619908.db2.gz TYRQFGJCOGCGMB-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000125076633 543858977 /nfs/dbraw/zinc/85/89/77/543858977.db2.gz ZXPKVUUHUZENMH-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127838689 544017115 /nfs/dbraw/zinc/01/71/15/544017115.db2.gz HERLRHFTXDIVKN-CQSZACIVSA-N 0 3 350.419 2.444 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000133378536 544267160 /nfs/dbraw/zinc/26/71/60/544267160.db2.gz YGZKYIYBYSEZSU-CABCVRRESA-N 0 3 374.441 2.235 20 5 FEBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CN1CCN(C)CC1 ZINC000139814162 544405327 /nfs/dbraw/zinc/40/53/27/544405327.db2.gz YMLFFSUCVWQBII-GFCCVEGCSA-N 0 3 369.853 2.253 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c1F ZINC000154303839 544888306 /nfs/dbraw/zinc/88/83/06/544888306.db2.gz MVMWDGMJAKOTNJ-UHFFFAOYSA-N 0 3 359.423 2.005 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000183195257 327806458 /nfs/dbraw/zinc/80/64/58/327806458.db2.gz JXMQHGAZYDIVCL-UHFFFAOYSA-N 0 3 358.324 2.344 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000187289468 328013639 /nfs/dbraw/zinc/01/36/39/328013639.db2.gz CCFSSXKBZAJASK-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000187890474 328052925 /nfs/dbraw/zinc/05/29/25/328052925.db2.gz YKSSOTKLTMEIAQ-UHFFFAOYSA-N 0 3 359.423 2.147 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000190022842 328182970 /nfs/dbraw/zinc/18/29/70/328182970.db2.gz FPVNIZIAMSVSEV-OAHLLOKOSA-N 0 3 374.441 2.237 20 5 FEBDHN CN(CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC000192450875 328319712 /nfs/dbraw/zinc/31/97/12/328319712.db2.gz YSSUCNYQZGUYEL-UHFFFAOYSA-N 0 3 361.471 2.305 20 5 FEBDHN CC(C)C(=O)N1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000192883552 328345095 /nfs/dbraw/zinc/34/50/95/328345095.db2.gz DNSZJIRDIZFYEM-CYBMUJFWSA-N 0 3 362.430 2.158 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000193293375 328367247 /nfs/dbraw/zinc/36/72/47/328367247.db2.gz NPDQSWRXNRGWFH-QWRGUYRKSA-N 0 3 361.851 2.352 20 5 FEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564102 328430023 /nfs/dbraw/zinc/43/00/23/328430023.db2.gz KUQPVJOWTFXEFV-HZMBPMFUSA-N 0 3 369.219 2.266 20 5 FEBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1cccs1 ZINC000015171288 324381469 /nfs/dbraw/zinc/38/14/69/324381469.db2.gz XCEOESJCHFSSAZ-LBPRGKRZSA-N 0 3 370.456 2.019 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000032588892 324478279 /nfs/dbraw/zinc/47/82/79/324478279.db2.gz JYXUSCHNASKING-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN CN1CCC(N(Cc2ccccc2)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000084365304 325234222 /nfs/dbraw/zinc/23/42/22/325234222.db2.gz RMPBJFGIZPFJJQ-UHFFFAOYSA-N 0 3 371.441 2.304 20 5 FEBDHN Cc1cccc(C)c1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000091058278 325371734 /nfs/dbraw/zinc/37/17/34/325371734.db2.gz XPBPFBLAVYUVBN-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000103113119 325507095 /nfs/dbraw/zinc/50/70/95/325507095.db2.gz FHFBSYULALKTQS-UHFFFAOYSA-N 0 3 359.430 2.149 20 5 FEBDHN COCCOC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000116886771 326040233 /nfs/dbraw/zinc/04/02/33/326040233.db2.gz POEBJWICKGOAGA-UHFFFAOYSA-N 0 3 365.430 2.359 20 5 FEBDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)N(C)C ZINC000118098900 326081139 /nfs/dbraw/zinc/08/11/39/326081139.db2.gz ODPIUDVVPJUCBX-MRXNPFEDSA-N 0 3 364.446 2.324 20 5 FEBDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)N(C)C ZINC000118098904 326081491 /nfs/dbraw/zinc/08/14/91/326081491.db2.gz ODPIUDVVPJUCBX-INIZCTEOSA-N 0 3 364.446 2.324 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000120320322 326249645 /nfs/dbraw/zinc/24/96/45/326249645.db2.gz LZGMHFBLTWURDY-OAHLLOKOSA-N 0 3 364.446 2.426 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120626018 326273871 /nfs/dbraw/zinc/27/38/71/326273871.db2.gz IIAVQJLWRMOHTP-GWCFXTLKSA-N 0 3 350.375 2.224 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000120901733 326297551 /nfs/dbraw/zinc/29/75/51/326297551.db2.gz PBHONBJCHGWFAV-LRDDRELGSA-N 0 3 363.414 2.184 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000121361419 326332741 /nfs/dbraw/zinc/33/27/41/326332741.db2.gz PBGUBUDATSSJBS-AWEZNQCLSA-N 0 3 374.441 2.283 20 5 FEBDHN COc1ccc([C@@H]2C[C@H](C)CN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000121795963 326367985 /nfs/dbraw/zinc/36/79/85/326367985.db2.gz YBAJEMLMWJOELI-OWQGQXMQSA-N 0 3 360.414 2.244 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122348083 326393304 /nfs/dbraw/zinc/39/33/04/326393304.db2.gz XJMNXUDVPWQHNL-HIFRSBDPSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000122426320 326396568 /nfs/dbraw/zinc/39/65/68/326396568.db2.gz ZEMJDCRQXPOKIC-YPMHNXCESA-N 0 3 373.862 2.353 20 5 FEBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903992 326719234 /nfs/dbraw/zinc/71/92/34/326719234.db2.gz YPTQNGSLKUDREL-SJORKVTESA-N 0 3 350.415 2.226 20 5 FEBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000153128652 326724656 /nfs/dbraw/zinc/72/46/56/326724656.db2.gz PJFKOGLVGBYURA-QGZVFWFLSA-N 0 3 367.471 2.375 20 5 FEBDHN Cc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N2CCCC2)cc1 ZINC000165454830 327078100 /nfs/dbraw/zinc/07/81/00/327078100.db2.gz PDMRRCAXVYIGEM-OAHLLOKOSA-N 0 3 357.414 2.204 20 5 FEBDHN Cc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N2CCCC2)cc1 ZINC000165454953 327078177 /nfs/dbraw/zinc/07/81/77/327078177.db2.gz PDMRRCAXVYIGEM-HNNXBMFYSA-N 0 3 357.414 2.204 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000174501378 327330917 /nfs/dbraw/zinc/33/09/17/327330917.db2.gz ZXERZXSSHSAPIB-UHFFFAOYSA-N 0 3 369.421 2.482 20 5 FEBDHN CN(Cc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655985 327341834 /nfs/dbraw/zinc/34/18/34/327341834.db2.gz CTKHKSHJGFYEPG-AWEZNQCLSA-N 0 3 369.219 2.047 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000264606128 329040139 /nfs/dbraw/zinc/04/01/39/329040139.db2.gz OOFCNNPHEYYXOD-HNNXBMFYSA-N 0 3 362.430 2.102 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265923178 329172981 /nfs/dbraw/zinc/17/29/81/329172981.db2.gz CMQWMXQCIAFSPE-AWEZNQCLSA-N 0 3 363.414 2.312 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000266132771 329193315 /nfs/dbraw/zinc/19/33/15/329193315.db2.gz BGSZJKZAYRMILU-ZDUSSCGKSA-N 0 3 371.434 2.230 20 5 FEBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266351270 329213913 /nfs/dbraw/zinc/21/39/13/329213913.db2.gz XJPYMNOBPAEADE-HNNXBMFYSA-N 0 3 355.460 2.231 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530214 329233107 /nfs/dbraw/zinc/23/31/07/329233107.db2.gz LXOWVAJFZJAMIY-CZUORRHYSA-N 0 3 350.806 2.295 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)cc1OC(F)F ZINC000267014872 329283386 /nfs/dbraw/zinc/28/33/86/329283386.db2.gz HNCQXWDSZQSWDA-UHFFFAOYSA-N 0 3 357.357 2.497 20 5 FEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267063004 329287753 /nfs/dbraw/zinc/28/77/53/329287753.db2.gz JCQDMKPGHXKPEC-CHWSQXEVSA-N 0 3 353.423 2.026 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106661 329916146 /nfs/dbraw/zinc/91/61/46/329916146.db2.gz VJLRSFIQPGAVOQ-WOPDTQHZSA-N 0 3 367.402 2.108 20 5 FEBDHN CCOCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276290466 330137674 /nfs/dbraw/zinc/13/76/74/330137674.db2.gz UABQXCVSHNEXFK-UHFFFAOYSA-N 0 3 357.382 2.047 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000299697081 330199418 /nfs/dbraw/zinc/19/94/18/330199418.db2.gz OLVLWHILIAXMON-UONOGXRCSA-N 0 3 362.430 2.091 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367063903 330212757 /nfs/dbraw/zinc/21/27/57/330212757.db2.gz AMEAWPILKJAVJB-HNNXBMFYSA-N 0 3 371.441 2.169 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000555075774 674346859 /nfs/dbraw/zinc/34/68/59/674346859.db2.gz AKQDSUBOLMFFCN-NSHDSACASA-N 0 3 359.329 2.246 20 5 FEBDHN C[C@H]1CCCN1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000158573996 545873673 /nfs/dbraw/zinc/87/36/73/545873673.db2.gz VBVNWDUAWFUPID-LBPRGKRZSA-N 0 3 371.434 2.371 20 5 FEBDHN COc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000158979034 545910544 /nfs/dbraw/zinc/91/05/44/545910544.db2.gz SCSPOEFZKJMKRF-HNNXBMFYSA-N 0 3 373.413 2.284 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000478480341 561168082 /nfs/dbraw/zinc/16/80/82/561168082.db2.gz KBBLBJXNSASIHV-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN O=[N+]([O-])c1cc(CN2CCN(c3ccncc3)CC2)c2c(c1)COCO2 ZINC000161322189 546119941 /nfs/dbraw/zinc/11/99/41/546119941.db2.gz ZZZYPMXSQXJFIX-UHFFFAOYSA-N 0 3 356.382 2.179 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000480084281 561202664 /nfs/dbraw/zinc/20/26/64/561202664.db2.gz JZSXUONOFPSENK-OAHLLOKOSA-N 0 3 351.451 2.201 20 5 FEBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000178099273 546739363 /nfs/dbraw/zinc/73/93/63/546739363.db2.gz QPJQVCRLUIFCOI-UHFFFAOYSA-N 0 3 373.413 2.295 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000178926230 546874837 /nfs/dbraw/zinc/87/48/37/546874837.db2.gz ABUDMRGVSUMBSF-BBRMVZONSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000481829959 561243467 /nfs/dbraw/zinc/24/34/67/561243467.db2.gz MZBLZMMYPFELSH-WMZOPIPTSA-N 0 3 357.385 2.490 20 5 FEBDHN COCCO[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179347906 546937011 /nfs/dbraw/zinc/93/70/11/546937011.db2.gz MULRBOIUQCFCLA-OAHLLOKOSA-N 0 3 365.430 2.359 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179764140 547010376 /nfs/dbraw/zinc/01/03/76/547010376.db2.gz MIPCEVRBYHIJQF-IBGZPJMESA-N 0 3 371.393 2.269 20 5 FEBDHN CC(C)CS(=O)(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000181114584 547252416 /nfs/dbraw/zinc/25/24/16/547252416.db2.gz FJIVOWQMXYQSQE-UHFFFAOYSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000182744720 547545331 /nfs/dbraw/zinc/54/53/31/547545331.db2.gz AVQJQGJMGVIQQE-MRXNPFEDSA-N 0 3 360.458 2.204 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000183391871 547649678 /nfs/dbraw/zinc/64/96/78/547649678.db2.gz BPOYTPCMPDEINK-INIZCTEOSA-N 0 3 373.384 2.231 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933726 547741255 /nfs/dbraw/zinc/74/12/55/547741255.db2.gz HAIXXJXUZXFXHS-LBPRGKRZSA-N 0 3 369.853 2.396 20 5 FEBDHN CC(C)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000184191864 547784120 /nfs/dbraw/zinc/78/41/20/547784120.db2.gz JOTVTKPTELJOKP-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN C[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000193944386 548411200 /nfs/dbraw/zinc/41/12/00/548411200.db2.gz VGTLGXMSDGOVEY-CYBMUJFWSA-N 0 3 370.409 2.472 20 5 FEBDHN C[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000193944369 548411257 /nfs/dbraw/zinc/41/12/57/548411257.db2.gz VGTLGXMSDGOVEY-ZDUSSCGKSA-N 0 3 370.409 2.472 20 5 FEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564150 548499415 /nfs/dbraw/zinc/49/94/15/548499415.db2.gz KUQPVJOWTFXEFV-QMTHXVAHSA-N 0 3 369.219 2.266 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000194982622 548558938 /nfs/dbraw/zinc/55/89/38/548558938.db2.gz IUGUHDOYWMSWBQ-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000487645077 561373078 /nfs/dbraw/zinc/37/30/78/561373078.db2.gz AWKKRTCWQZHRTB-GFCCVEGCSA-N 0 3 371.384 2.033 20 5 FEBDHN COC(=O)C1CCN(CCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487930190 561379149 /nfs/dbraw/zinc/37/91/49/561379149.db2.gz FBDLAYJLBWYKFQ-UHFFFAOYSA-N 0 3 372.425 2.252 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@H](C(C)C)C1 ZINC000487941472 561379348 /nfs/dbraw/zinc/37/93/48/561379348.db2.gz DFEPDRNAVFNRGB-INIZCTEOSA-N 0 3 364.446 2.204 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246206417 549077848 /nfs/dbraw/zinc/07/78/48/549077848.db2.gz PAKPJOBDPZFBIK-ZFWWWQNUSA-N 0 3 353.444 2.151 20 5 FEBDHN O=C1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000246225906 549083723 /nfs/dbraw/zinc/08/37/23/549083723.db2.gz FIDNUDWDQSEAPU-KSSFIOAISA-N 0 3 359.426 2.449 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000246253220 549089831 /nfs/dbraw/zinc/08/98/31/549089831.db2.gz KCOJQWGSBZXUEE-HUUCEWRRSA-N 0 3 369.487 2.177 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000488716138 561395056 /nfs/dbraw/zinc/39/50/56/561395056.db2.gz QWKXFZCSOJFMKD-LJQANCHMSA-N 0 3 369.425 2.091 20 5 FEBDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000246713210 549193983 /nfs/dbraw/zinc/19/39/83/549193983.db2.gz JTYVNBDYDPIJRF-GOEBONIOSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246974827 549255683 /nfs/dbraw/zinc/25/56/83/549255683.db2.gz JIXLWIPEQMXRKN-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000248477985 549447803 /nfs/dbraw/zinc/44/78/03/549447803.db2.gz PDWYXOYUEFJHDI-SWLSCSKDSA-N 0 3 371.434 2.147 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000249093929 549550678 /nfs/dbraw/zinc/55/06/78/549550678.db2.gz OJVJNYMPFVQLQH-KBPBESRZSA-N 0 3 355.460 2.135 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC/C=C\c1ccccc1 ZINC000255569475 549707240 /nfs/dbraw/zinc/70/72/40/549707240.db2.gz YABVVYGRTHJQDN-TWGQIWQCSA-N 0 3 361.423 2.176 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261610526 549733615 /nfs/dbraw/zinc/73/36/15/549733615.db2.gz BVZXFQQNCVXKIT-DLBZAZTESA-N 0 3 354.410 2.268 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261513 550042129 /nfs/dbraw/zinc/04/21/29/550042129.db2.gz ZIWOAMYIMKISSM-DYVFJYSZSA-N 0 3 358.442 2.408 20 5 FEBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(CN2CCCCC2)cc1 ZINC000269086662 550153184 /nfs/dbraw/zinc/15/31/84/550153184.db2.gz JKBLMNYXEWKEBJ-UHFFFAOYSA-N 0 3 357.414 2.207 20 5 FEBDHN CCOc1cc(CNC2(CC(=O)OC)CCOCC2)ccc1[N+](=O)[O-] ZINC000492747056 561452541 /nfs/dbraw/zinc/45/25/41/561452541.db2.gz KPNXWYFCPHFUEV-UHFFFAOYSA-N 0 3 352.387 2.195 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000272550196 550457491 /nfs/dbraw/zinc/45/74/91/550457491.db2.gz CYJCTYSUUQNRHX-DNVCBOLYSA-N 0 3 372.469 2.364 20 5 FEBDHN CCO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486762 550500294 /nfs/dbraw/zinc/50/02/94/550500294.db2.gz VWCSSUWENFWGTJ-CVEARBPZSA-N 0 3 368.455 2.306 20 5 FEBDHN C[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468241 550674241 /nfs/dbraw/zinc/67/42/41/550674241.db2.gz PJMXNUHHFOTNPD-CABCVRRESA-N 0 3 364.446 2.456 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000278142862 550754217 /nfs/dbraw/zinc/75/42/17/550754217.db2.gz AGZQNWZPWNHCHW-NEPJUHHUSA-N 0 3 360.418 2.095 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278389200 550780100 /nfs/dbraw/zinc/78/01/00/550780100.db2.gz ZUWOLLCQEPHOFS-GFCCVEGCSA-N 0 3 360.418 2.145 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000278549482 550798204 /nfs/dbraw/zinc/79/82/04/550798204.db2.gz OMFKZAPFMNYHFL-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN CCn1nccc1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000278843625 550827878 /nfs/dbraw/zinc/82/78/78/550827878.db2.gz JODMOCBKWVWGLU-KRWDZBQOSA-N 0 3 374.441 2.431 20 5 FEBDHN CN1CCO[C@@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000283950548 551455951 /nfs/dbraw/zinc/45/59/51/551455951.db2.gz AOKXOEKFDOIOCC-IAGOWNOFSA-N 0 3 372.425 2.197 20 5 FEBDHN CSc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000498324440 561522223 /nfs/dbraw/zinc/52/22/23/561522223.db2.gz OBMNHICCFAIEKG-UHFFFAOYSA-N 0 3 367.471 2.500 20 5 FEBDHN CN1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284650637 551598597 /nfs/dbraw/zinc/59/85/97/551598597.db2.gz WTMHZEXPPBLHKE-UONOGXRCSA-N 0 3 356.220 2.267 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000286618765 551906862 /nfs/dbraw/zinc/90/68/62/551906862.db2.gz HWPPWANSNFLWSS-DZGCQCFKSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286878796 551936069 /nfs/dbraw/zinc/93/60/69/551936069.db2.gz ZFVJLWLXUICSSZ-ZFWWWQNUSA-N 0 3 353.444 2.151 20 5 FEBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(N)cc2[N+](=O)[O-])c1 ZINC000287708545 552036787 /nfs/dbraw/zinc/03/67/87/552036787.db2.gz FKAWRBVZZHGHNF-UHFFFAOYSA-N 0 3 357.414 2.081 20 5 FEBDHN CN(C)CCOc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000288311111 552130827 /nfs/dbraw/zinc/13/08/27/552130827.db2.gz MANLQHLWBKGDOL-UHFFFAOYSA-N 0 3 372.425 2.245 20 5 FEBDHN C[C@@H](CCO)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289582361 552344649 /nfs/dbraw/zinc/34/46/49/552344649.db2.gz SRBFMBQHCAESPS-VIFPVBQESA-N 0 3 364.183 2.308 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000500936236 561586053 /nfs/dbraw/zinc/58/60/53/561586053.db2.gz PSPITJIJRSTUBK-GOEBONIOSA-N 0 3 369.487 2.272 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000290582003 552502214 /nfs/dbraw/zinc/50/22/14/552502214.db2.gz URLWBYMFDMANNE-CJNGLKHVSA-N 0 3 374.441 2.181 20 5 FEBDHN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000290779418 552536733 /nfs/dbraw/zinc/53/67/33/552536733.db2.gz MRHVJIOQLAVMBD-CQSZACIVSA-N 0 3 369.425 2.190 20 5 FEBDHN CC(C)[C@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962697 552775341 /nfs/dbraw/zinc/77/53/41/552775341.db2.gz FVIVYWVQZBEGBX-CRAIPNDOSA-N 0 3 352.431 2.065 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000293457279 552825804 /nfs/dbraw/zinc/82/58/04/552825804.db2.gz TYIFGENYISYJOK-IBGZPJMESA-N 0 3 374.441 2.094 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN(C2CCC2)C1 ZINC000293727736 552850814 /nfs/dbraw/zinc/85/08/14/552850814.db2.gz QBLPWOLJZSVZDK-LBPRGKRZSA-N 0 3 361.398 2.270 20 5 FEBDHN Cc1nn([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128303 552884210 /nfs/dbraw/zinc/88/42/10/552884210.db2.gz FGKPFKIRRLLXEF-GOEBONIOSA-N 0 3 357.414 2.051 20 5 FEBDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000294856962 552939030 /nfs/dbraw/zinc/93/90/30/552939030.db2.gz CTXLERGCLSVORG-CYBMUJFWSA-N 0 3 362.459 2.416 20 5 FEBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCCN(CCCO)C2)c([N+](=O)[O-])c1 ZINC000294877292 552940697 /nfs/dbraw/zinc/94/06/97/552940697.db2.gz DTQJMTUKHQZTQW-PMGBHYCQSA-N 0 3 363.414 2.040 20 5 FEBDHN Cc1nc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000295130474 552961901 /nfs/dbraw/zinc/96/19/01/552961901.db2.gz YAYZEHBGBFJLEG-MRXNPFEDSA-N 0 3 357.414 2.396 20 5 FEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295462928 553010513 /nfs/dbraw/zinc/01/05/13/553010513.db2.gz QHLQPDIQSHJIGG-AEFFLSMTSA-N 0 3 372.425 2.197 20 5 FEBDHN C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502281612 561615495 /nfs/dbraw/zinc/61/54/95/561615495.db2.gz LIFVZXRJQSSLKH-KCXAZCMYSA-N 0 3 353.444 2.041 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000296661905 553195102 /nfs/dbraw/zinc/19/51/02/553195102.db2.gz QJSVKYBOMWVXCH-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296937634 553232397 /nfs/dbraw/zinc/23/23/97/553232397.db2.gz XIRITZNFXHDBKI-ZDUSSCGKSA-N 0 3 364.402 2.004 20 5 FEBDHN CN(C)CCn1nccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297430110 553291309 /nfs/dbraw/zinc/29/13/09/553291309.db2.gz PBFYFTSASNVBQN-UHFFFAOYSA-N 0 3 360.418 2.410 20 5 FEBDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C ZINC000297841664 553345928 /nfs/dbraw/zinc/34/59/28/553345928.db2.gz KNRPNDPMNJHODY-LLVKDONJSA-N 0 3 370.837 2.279 20 5 FEBDHN CCOc1cc(NC(=O)NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OCC ZINC000298482719 553430405 /nfs/dbraw/zinc/43/04/05/553430405.db2.gz WIXAIERRIGMBAR-LLVKDONJSA-N 0 3 354.407 2.464 20 5 FEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](C)C1 ZINC000298530778 553436523 /nfs/dbraw/zinc/43/65/23/553436523.db2.gz WUQPLTCCWYUYSF-QWHCGFSZSA-N 0 3 363.414 2.216 20 5 FEBDHN COc1ccc(CNC(=O)c2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000299017370 553503910 /nfs/dbraw/zinc/50/39/10/553503910.db2.gz SIKYDIVPQWYIPP-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000299385054 553556002 /nfs/dbraw/zinc/55/60/02/553556002.db2.gz YVIMCTPUPIMGLN-INIZCTEOSA-N 0 3 357.414 2.053 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000299552661 553580082 /nfs/dbraw/zinc/58/00/82/553580082.db2.gz GEFUBDRGEXDAIG-GHMZBOCLSA-N 0 3 368.821 2.128 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277140 553638324 /nfs/dbraw/zinc/63/83/24/553638324.db2.gz ZEILLNJCAAPZDG-XQQFMLRXSA-N 0 3 370.475 2.021 20 5 FEBDHN O=[N+]([O-])c1c(N2CC[C@@H](OCCN3CCCCC3)C2)nc2sccn21 ZINC000301747466 553676513 /nfs/dbraw/zinc/67/65/13/553676513.db2.gz QXZMHQQKKNFWSU-CYBMUJFWSA-N 0 3 365.459 2.385 20 5 FEBDHN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000302483472 553718585 /nfs/dbraw/zinc/71/85/85/553718585.db2.gz WYDHGKMADPWONN-IBGZPJMESA-N 0 3 356.426 2.371 20 5 FEBDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000330902698 554185714 /nfs/dbraw/zinc/18/57/14/554185714.db2.gz XVMYHMOMBTWPNC-NZVBXONLSA-N 0 3 355.435 2.341 20 5 FEBDHN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000509006075 561781110 /nfs/dbraw/zinc/78/11/10/561781110.db2.gz ILTRPJPSKMWBFY-ZDUSSCGKSA-N 0 3 368.428 2.473 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000331323767 554246997 /nfs/dbraw/zinc/24/69/97/554246997.db2.gz MPMLOSKBMIMAFF-CMPLNLGQSA-N 0 3 370.247 2.499 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736618 554318504 /nfs/dbraw/zinc/31/85/04/554318504.db2.gz UEVYCOICDGLMPM-DNVCBOLYSA-N 0 3 361.442 2.414 20 5 FEBDHN Cc1ccnc(NCCCN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000609669807 554409268 /nfs/dbraw/zinc/40/92/68/554409268.db2.gz IDIWMNUNOUGQCC-UHFFFAOYSA-N 0 3 356.430 2.317 20 5 FEBDHN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000332569881 554473650 /nfs/dbraw/zinc/47/36/50/554473650.db2.gz CTKVTTIDMUNNHL-NSHDSACASA-N 0 3 373.331 2.456 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510713685 561844304 /nfs/dbraw/zinc/84/43/04/561844304.db2.gz BKBZYTZAALPXFT-KGLIPLIRSA-N 0 3 373.450 2.381 20 5 FEBDHN CC(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000611700694 554668130 /nfs/dbraw/zinc/66/81/30/554668130.db2.gz CGRLUQCCZNRPDK-QGZVFWFLSA-N 0 3 358.446 2.222 20 5 FEBDHN CN(C)CCOc1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000611712133 554669820 /nfs/dbraw/zinc/66/98/20/554669820.db2.gz GOGHLBPCSOWFFT-UHFFFAOYSA-N 0 3 368.397 2.486 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177394 554954291 /nfs/dbraw/zinc/95/42/91/554954291.db2.gz JVLPVTQMBCZFRR-UKRRQHHQSA-N 0 3 361.377 2.195 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177394 554954292 /nfs/dbraw/zinc/95/42/92/554954292.db2.gz JVLPVTQMBCZFRR-UKRRQHHQSA-N 0 3 361.377 2.195 20 5 FEBDHN CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cn2)CC1 ZINC000364383859 555303356 /nfs/dbraw/zinc/30/33/56/555303356.db2.gz JAGSSOJEUBWJLT-UHFFFAOYSA-N 0 3 371.397 2.297 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364632364 555358054 /nfs/dbraw/zinc/35/80/54/555358054.db2.gz QJBJBONVONHYJM-UHFFFAOYSA-N 0 3 350.419 2.214 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000364953829 555448515 /nfs/dbraw/zinc/44/85/15/555448515.db2.gz UNHZFYSWWHAHKG-VQFNDLOPSA-N 0 3 352.394 2.037 20 5 FEBDHN Cc1nnc(C2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)[nH]1 ZINC000365120938 555489992 /nfs/dbraw/zinc/48/99/92/555489992.db2.gz NBPGQHJBAYICJE-UHFFFAOYSA-N 0 3 369.385 2.451 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365142115 555494006 /nfs/dbraw/zinc/49/40/06/555494006.db2.gz PBDZYNDCJYVLOV-OAHLLOKOSA-N 0 3 361.446 2.086 20 5 FEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(CC3CCC4(CC3)OCCO4)C2)c1 ZINC000365170581 555500985 /nfs/dbraw/zinc/50/09/85/555500985.db2.gz LJESDQBNDKFSAY-OAHLLOKOSA-N 0 3 350.419 2.362 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000366202324 555780467 /nfs/dbraw/zinc/78/04/67/555780467.db2.gz OBAOBGBGBMYUMG-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN O=C([C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657698 555901138 /nfs/dbraw/zinc/90/11/38/555901138.db2.gz SEJQKAXKGUHJBY-FUHWJXTLSA-N 0 3 361.442 2.353 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208770 561963720 /nfs/dbraw/zinc/96/37/20/561963720.db2.gz OODOPUHLUYTODG-LBPRGKRZSA-N 0 3 373.356 2.037 20 5 FEBDHN Cc1n[nH]cc1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000366942623 555978075 /nfs/dbraw/zinc/97/80/75/555978075.db2.gz FSMIRTSZWKEJLU-OAHLLOKOSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cccc(CN2CCC(NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC000367390240 556036154 /nfs/dbraw/zinc/03/61/54/556036154.db2.gz NBBBTOXZRUDBHU-UHFFFAOYSA-N 0 3 357.414 2.031 20 5 FEBDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367527397 556074727 /nfs/dbraw/zinc/07/47/27/556074727.db2.gz NWAKHOXZWGJJNG-TZMCWYRMSA-N 0 3 353.444 2.202 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000367716825 556122002 /nfs/dbraw/zinc/12/20/02/556122002.db2.gz QKECDSSCXABMNU-INIZCTEOSA-N 0 3 360.458 2.261 20 5 FEBDHN CCOC(=O)c1cc(N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368717859 556396595 /nfs/dbraw/zinc/39/65/95/556396595.db2.gz CJRFPXDYKBAKOT-UHFFFAOYSA-N 0 3 365.430 2.055 20 5 FEBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000368929203 556451632 /nfs/dbraw/zinc/45/16/32/556451632.db2.gz GLXCVBXDGDSAPL-UHFFFAOYSA-N 0 3 370.409 2.496 20 5 FEBDHN CN1CCC(N2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274701 556560135 /nfs/dbraw/zinc/56/01/35/556560135.db2.gz RJUCBKMPDJSCMV-CYBMUJFWSA-N 0 3 366.849 2.147 20 5 FEBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000516617688 562050757 /nfs/dbraw/zinc/05/07/57/562050757.db2.gz YDWUATRAYNHZDO-CQSZACIVSA-N 0 3 368.459 2.065 20 5 FEBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000516617688 562050758 /nfs/dbraw/zinc/05/07/58/562050758.db2.gz YDWUATRAYNHZDO-CQSZACIVSA-N 0 3 368.459 2.065 20 5 FEBDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516376 562045729 /nfs/dbraw/zinc/04/57/29/562045729.db2.gz BYXGZDMNUJWVIU-KGLIPLIRSA-N 0 3 361.402 2.477 20 5 FEBDHN CCc1nc(CN2C[C@H]3CN(Cc4cccc([N+](=O)[O-])c4C)C[C@H]3C2)no1 ZINC000370744680 556955892 /nfs/dbraw/zinc/95/58/92/556955892.db2.gz IGPNZMBZZHUOPA-IYBDPMFKSA-N 0 3 371.441 2.412 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219099 557110653 /nfs/dbraw/zinc/11/06/53/557110653.db2.gz JVCCXGCNNBQCOD-CRAIPNDOSA-N 0 3 360.458 2.001 20 5 FEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000371352425 557157223 /nfs/dbraw/zinc/15/72/23/557157223.db2.gz XJSZCBDIEBBTMS-IUODEOHRSA-N 0 3 353.854 2.105 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000371356315 557158631 /nfs/dbraw/zinc/15/86/31/557158631.db2.gz WWTBTXYNVHZPHC-WENXUGBFSA-N 0 3 372.469 2.092 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000371361648 557160789 /nfs/dbraw/zinc/16/07/89/557160789.db2.gz RQWIMFDRTCVTTA-UHFFFAOYSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000373182468 557645963 /nfs/dbraw/zinc/64/59/63/557645963.db2.gz JEEQXACBINHRAW-MRXNPFEDSA-N 0 3 357.366 2.419 20 5 FEBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cn1 ZINC000373789326 557759805 /nfs/dbraw/zinc/75/98/05/557759805.db2.gz WLFUYKAMFVJVFS-QGZVFWFLSA-N 0 3 370.409 2.011 20 5 FEBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cn1 ZINC000373789325 557759818 /nfs/dbraw/zinc/75/98/18/557759818.db2.gz WLFUYKAMFVJVFS-KRWDZBQOSA-N 0 3 370.409 2.011 20 5 FEBDHN CN1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](c2ccccc2)C1 ZINC000374315862 557864125 /nfs/dbraw/zinc/86/41/25/557864125.db2.gz ZTSHPEASARICOT-RDJZCZTQSA-N 0 3 373.384 2.327 20 5 FEBDHN CCc1nc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000521227725 562172345 /nfs/dbraw/zinc/17/23/45/562172345.db2.gz ZLBZNDUYSCIXAW-CQSZACIVSA-N 0 3 351.428 2.186 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1SC ZINC000375066557 557972901 /nfs/dbraw/zinc/97/29/01/557972901.db2.gz RWPQNRNQCBVEQR-SMDDNHRTSA-N 0 3 365.455 2.492 20 5 FEBDHN O=C(CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000375403400 558021495 /nfs/dbraw/zinc/02/14/95/558021495.db2.gz MLZPBEBVGBGOJO-INIZCTEOSA-N 0 3 369.425 2.408 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000376212202 558142198 /nfs/dbraw/zinc/14/21/98/558142198.db2.gz SGJPCLDEMMKBJQ-YJBOKZPZSA-N 0 3 362.474 2.203 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569794 558191991 /nfs/dbraw/zinc/19/19/91/558191991.db2.gz PXSXQGCPZYQMOT-RDTXWAMCSA-N 0 3 369.425 2.479 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000377168188 558280982 /nfs/dbraw/zinc/28/09/82/558280982.db2.gz JTJCGVYESSRDBF-COXVUDFISA-N 0 3 374.441 2.350 20 5 FEBDHN Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000377369590 558327381 /nfs/dbraw/zinc/32/73/81/558327381.db2.gz QVORCBXBWWOMDE-HNAYVOBHSA-N 0 3 371.441 2.254 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377481874 558348194 /nfs/dbraw/zinc/34/81/94/558348194.db2.gz PMBJJAAMMMWKCR-NWANDNLSSA-N 0 3 365.455 2.055 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000378369643 558541869 /nfs/dbraw/zinc/54/18/69/558541869.db2.gz YWKGERUABXYNNR-HNNXBMFYSA-N 0 3 360.458 2.144 20 5 FEBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000409720258 558716724 /nfs/dbraw/zinc/71/67/24/558716724.db2.gz HXLBZOZWFCNSBR-ZDUSSCGKSA-N 0 3 355.822 2.071 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000524780775 562234573 /nfs/dbraw/zinc/23/45/73/562234573.db2.gz NAAUPNAYQNUFEF-HIFRSBDPSA-N 0 3 350.419 2.098 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000524871856 562236446 /nfs/dbraw/zinc/23/64/46/562236446.db2.gz MQJKAPPVFMKFMI-GXTWGEPZSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105925 562240672 /nfs/dbraw/zinc/24/06/72/562240672.db2.gz BYPVXSXDDJIIMZ-NXEZZACHSA-N 0 3 373.356 2.417 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000525385598 562247078 /nfs/dbraw/zinc/24/70/78/562247078.db2.gz CJSBUOTVBNKJHG-ZIAGYGMSSA-N 0 3 355.460 2.397 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2c(cnn2C)C1 ZINC000411845267 558975120 /nfs/dbraw/zinc/97/51/20/558975120.db2.gz DVWQFUSZNDHDNB-UHFFFAOYSA-N 0 3 373.413 2.114 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1F ZINC000412186459 559019033 /nfs/dbraw/zinc/01/90/33/559019033.db2.gz SCFFZJLZGGYJEP-AAEUAGOBSA-N 0 3 353.394 2.130 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC2(N(C)C)CCC2)c1F ZINC000412279909 559024563 /nfs/dbraw/zinc/02/45/63/559024563.db2.gz QXLHWTRAOOGGHT-UHFFFAOYSA-N 0 3 353.394 2.228 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1F ZINC000412343917 559029261 /nfs/dbraw/zinc/02/92/61/559029261.db2.gz WPFUQEVICJDNBF-STQMWFEESA-N 0 3 365.405 2.370 20 5 FEBDHN CN(C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2F)c1 ZINC000413121581 559080322 /nfs/dbraw/zinc/08/03/22/559080322.db2.gz WBWTUNXZNZGXGB-UHFFFAOYSA-N 0 3 361.377 2.032 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1F ZINC000413630161 559121282 /nfs/dbraw/zinc/12/12/82/559121282.db2.gz KIRGPNWCEHBMDH-JSGCOSHPSA-N 0 3 365.405 2.228 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413824604 559132833 /nfs/dbraw/zinc/13/28/33/559132833.db2.gz WRTGAZSPZXGPDQ-DLBZAZTESA-N 0 3 363.458 2.127 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H](OC)C1CC1 ZINC000414195532 559152516 /nfs/dbraw/zinc/15/25/16/559152516.db2.gz WTTOMIUEYKLDCA-GDLVEWKHSA-N 0 3 351.403 2.334 20 5 FEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000527183088 562279364 /nfs/dbraw/zinc/27/93/64/562279364.db2.gz UPBDQJIKPXJZFB-SFHVURJKSA-N 0 3 359.357 2.309 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417175502 559351480 /nfs/dbraw/zinc/35/14/80/559351480.db2.gz IZGCAATULOSTNE-UHFFFAOYSA-N 0 3 356.382 2.206 20 5 FEBDHN O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751676 559414006 /nfs/dbraw/zinc/41/40/06/559414006.db2.gz RPVADBYDTPRSDK-DZGCQCFKSA-N 0 3 368.384 2.481 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCc4nnnn4CC3)cs2)c1 ZINC000421399055 559541121 /nfs/dbraw/zinc/54/11/21/559541121.db2.gz PJNYYGDNAVRFJS-GFCCVEGCSA-N 0 3 371.426 2.200 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423999791 559650063 /nfs/dbraw/zinc/65/00/63/559650063.db2.gz BFZRJNSGBOQQPW-HNNXBMFYSA-N 0 3 372.429 2.048 20 5 FEBDHN COc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000424014480 559651050 /nfs/dbraw/zinc/65/10/50/559651050.db2.gz VBNCSAJZYXOZMY-LSDHHAIUSA-N 0 3 359.357 2.309 20 5 FEBDHN CN(CC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)c1ccccc1[N+](=O)[O-] ZINC000424037971 559652160 /nfs/dbraw/zinc/65/21/60/559652160.db2.gz KNYVCEKQCFUFEO-GOEBONIOSA-N 0 3 372.400 2.123 20 5 FEBDHN Nc1c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc(F)cc1[N+](=O)[O-] ZINC000428527965 559777347 /nfs/dbraw/zinc/77/73/47/559777347.db2.gz ZAMDVXMKVQWXLX-AWEZNQCLSA-N 0 3 374.372 2.135 20 5 FEBDHN CN(C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cccc21 ZINC000432942814 559868284 /nfs/dbraw/zinc/86/82/84/559868284.db2.gz CVPHRMQMCRMXOS-AWEZNQCLSA-N 0 3 357.370 2.218 20 5 FEBDHN COc1cc(CNCCC2CC(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000433030712 559870019 /nfs/dbraw/zinc/87/00/19/559870019.db2.gz WVVZKVBBVZBBKS-UHFFFAOYSA-N 0 3 360.357 2.498 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000443765911 560092062 /nfs/dbraw/zinc/09/20/62/560092062.db2.gz TZYLUFWWPMNYPF-ZFWWWQNUSA-N 0 3 355.460 2.229 20 5 FEBDHN CCC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CCOC ZINC000444689925 560118210 /nfs/dbraw/zinc/11/82/10/560118210.db2.gz POFMXXXCAMZMDW-OAHLLOKOSA-N 0 3 361.446 2.404 20 5 FEBDHN COCCO[C@@H]1C[C@@H](CO)CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000447078669 560156265 /nfs/dbraw/zinc/15/62/65/560156265.db2.gz UYIBHQIRYAZMST-OPOMHPNASA-N 0 3 364.442 2.344 20 5 FEBDHN O=C1NCCc2ccc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593580 560164979 /nfs/dbraw/zinc/16/49/79/560164979.db2.gz SZOHVNGPKIBCIP-DLBZAZTESA-N 0 3 369.425 2.351 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447812718 560169717 /nfs/dbraw/zinc/16/97/17/560169717.db2.gz SIXWYJHMPVVZMP-OAHLLOKOSA-N 0 3 370.475 2.035 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156864 560218457 /nfs/dbraw/zinc/21/84/57/560218457.db2.gz TWASIULJGYGGCV-CJNGLKHVSA-N 0 3 357.414 2.045 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170268 560219103 /nfs/dbraw/zinc/21/91/03/560219103.db2.gz GAQUVOMLTUGRIO-ZFWWWQNUSA-N 0 3 357.414 2.045 20 5 FEBDHN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000449533681 560232995 /nfs/dbraw/zinc/23/29/95/560232995.db2.gz BMRVDOBYBPWWFU-UFBFGSQYSA-N 0 3 364.183 2.448 20 5 FEBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000450747913 560272051 /nfs/dbraw/zinc/27/20/51/560272051.db2.gz RDDYIBLRFRPMGN-QGZVFWFLSA-N 0 3 360.458 2.365 20 5 FEBDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483076 560309702 /nfs/dbraw/zinc/30/97/02/560309702.db2.gz DTTFIUPVOQBIHY-PBHICJAKSA-N 0 3 365.386 2.055 20 5 FEBDHN COc1ccc(OCCN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451700964 560323124 /nfs/dbraw/zinc/32/31/24/560323124.db2.gz YZTLGRPMIIZWHH-QLFBSQMISA-N 0 3 350.415 2.465 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452355162 560359707 /nfs/dbraw/zinc/35/97/07/560359707.db2.gz XBDCYQMGNAWPCO-ZFWWWQNUSA-N 0 3 367.471 2.038 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452369907 560360881 /nfs/dbraw/zinc/36/08/81/560360881.db2.gz FFBXEZAODAWLEF-WMZOPIPTSA-N 0 3 363.458 2.127 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459655427 560700654 /nfs/dbraw/zinc/70/06/54/560700654.db2.gz DEOTVGPDJFVPPO-ZBFHGGJFSA-N 0 3 373.409 2.394 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000470173730 560975945 /nfs/dbraw/zinc/97/59/45/560975945.db2.gz NFEFGKZBVVJADP-AGWAZZAUSA-N 0 3 372.469 2.237 20 5 FEBDHN C[C@H](CN1CCOCC1)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472228206 561021513 /nfs/dbraw/zinc/02/15/13/561021513.db2.gz DUVKOKBFVBRFRQ-QGZVFWFLSA-N 0 3 373.457 2.014 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000476637149 561124891 /nfs/dbraw/zinc/12/48/91/561124891.db2.gz UJEVGHNSMPMVGU-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN CNc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531252425 562439771 /nfs/dbraw/zinc/43/97/71/562439771.db2.gz BQBOKEKVQZLBAZ-KBPBESRZSA-N 0 3 364.446 2.256 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531267437 562440183 /nfs/dbraw/zinc/44/01/83/562440183.db2.gz FHYSSWYGPVBIMT-NSHDSACASA-N 0 3 370.247 2.358 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340874 562442570 /nfs/dbraw/zinc/44/25/70/562442570.db2.gz ZLYLPIFJOUHDQH-QGZVFWFLSA-N 0 3 350.438 2.334 20 5 FEBDHN CN(CCOc1ccccc1Cl)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534135750 562526162 /nfs/dbraw/zinc/52/61/62/562526162.db2.gz COGALKYBNQCKSR-UHFFFAOYSA-N 0 3 351.790 2.421 20 5 FEBDHN CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534827181 562543288 /nfs/dbraw/zinc/54/32/88/562543288.db2.gz DERVLOIBOHXYSW-KBPBESRZSA-N 0 3 355.485 2.191 20 5 FEBDHN CN(CC1CC1)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000541192130 562605529 /nfs/dbraw/zinc/60/55/29/562605529.db2.gz ALZHNBQCZRFMIB-GFCCVEGCSA-N 0 3 373.500 2.228 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000541817865 562620482 /nfs/dbraw/zinc/62/04/82/562620482.db2.gz ZAGFNRKATOQCDW-NSHDSACASA-N 0 3 359.423 2.085 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCC3(C2)CCN(C)CC3)cc1[N+](=O)[O-] ZINC000603378381 568093734 /nfs/dbraw/zinc/09/37/34/568093734.db2.gz GPVKDCOYEAWADM-UHFFFAOYSA-N 0 3 367.471 2.264 20 5 FEBDHN CNc1ccc(S(=O)(=O)N(C)CCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000558075717 674482100 /nfs/dbraw/zinc/48/21/00/674482100.db2.gz ZFHMADPAYNCLCN-UHFFFAOYSA-N 0 3 370.475 2.133 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)CC2CCCCC2)cc1 ZINC000566233772 675196827 /nfs/dbraw/zinc/19/68/27/675196827.db2.gz MUJZGBJOQMJPJO-HNNXBMFYSA-N 0 3 370.471 2.289 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916387 674519478 /nfs/dbraw/zinc/51/94/78/674519478.db2.gz IPGXRJVUVGERKX-LLVKDONJSA-N 0 3 356.810 2.481 20 5 FEBDHN CC[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585633 674601162 /nfs/dbraw/zinc/60/11/62/674601162.db2.gz VTSCLDOXPBWMSC-JKSUJKDBSA-N 0 3 355.460 2.450 20 5 FEBDHN Cc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813103181 674719349 /nfs/dbraw/zinc/71/93/49/674719349.db2.gz YSQKBIPUVGDGBK-GFCCVEGCSA-N 0 3 350.400 2.185 20 5 FEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815012986 674895805 /nfs/dbraw/zinc/89/58/05/674895805.db2.gz PHNQDRABMPWGMN-SECBINFHSA-N 0 3 365.814 2.102 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000563753575 674935788 /nfs/dbraw/zinc/93/57/88/674935788.db2.gz KUPMZKUFNAKIHV-BBRMVZONSA-N 0 3 355.460 2.229 20 5 FEBDHN CCN(CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564385749 675006356 /nfs/dbraw/zinc/00/63/56/675006356.db2.gz VRNIDYCSCWJHSK-UHFFFAOYSA-N 0 3 364.183 2.404 20 5 FEBDHN C[C@@]1(NCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000576216653 671352447 /nfs/dbraw/zinc/35/24/47/671352447.db2.gz ZYPWKFYNNHRKAN-GFCCVEGCSA-N 0 3 362.167 2.468 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119950177 671913125 /nfs/dbraw/zinc/91/31/25/671913125.db2.gz JEUAZRKCWZRDRR-GRYCIOLGSA-N 0 3 361.489 2.301 20 5 FEBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261448 675961868 /nfs/dbraw/zinc/96/18/68/675961868.db2.gz GEVUZSWAHRXVBB-MJBXVCDLSA-N 0 3 368.459 2.016 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000125460033 672011747 /nfs/dbraw/zinc/01/17/47/672011747.db2.gz NPNGCVLYGWCUEV-LLVKDONJSA-N 0 3 373.862 2.319 20 5 FEBDHN Cc1cc(S(=O)(=O)NCCCN2CCCCC2)cc([N+](=O)[O-])c1F ZINC000179188067 672399698 /nfs/dbraw/zinc/39/96/98/672399698.db2.gz BZRZUERADGAEHP-UHFFFAOYSA-N 0 3 359.423 2.197 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000590165278 672562559 /nfs/dbraw/zinc/56/25/59/672562559.db2.gz DDWQETNMRCJTFH-KRWDZBQOSA-N 0 3 367.471 2.264 20 5 FEBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565847 672590410 /nfs/dbraw/zinc/59/04/10/672590410.db2.gz RLHLYXCWGVHNLM-DZGCQCFKSA-N 0 3 353.806 2.183 20 5 FEBDHN CC(C)OC(=O)C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000594046069 673025241 /nfs/dbraw/zinc/02/52/41/673025241.db2.gz ORFPJKWSHBRUIM-AWEZNQCLSA-N 0 3 351.403 2.489 20 5 FEBDHN N[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260949 673214917 /nfs/dbraw/zinc/21/49/17/673214917.db2.gz OVYHJHDWSSYUSP-GHMZBOCLSA-N 0 3 365.283 2.047 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000595467308 673254630 /nfs/dbraw/zinc/25/46/30/673254630.db2.gz JYTGLDHMFRCCNV-CQSZACIVSA-N 0 3 350.419 2.275 20 5 FEBDHN Cc1sc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733158640 673400981 /nfs/dbraw/zinc/40/09/81/673400981.db2.gz OYVWAJZBMQVDEZ-CYBMUJFWSA-N 0 3 353.444 2.338 20 5 FEBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000597654221 673496583 /nfs/dbraw/zinc/49/65/83/673496583.db2.gz PTBDXMGOEMFZLO-GFCCVEGCSA-N 0 3 355.460 2.139 20 5 FEBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C)C1 ZINC000597945562 673522376 /nfs/dbraw/zinc/52/23/76/673522376.db2.gz IHZFWCXYHFIIEO-ZDUSSCGKSA-N 0 3 370.247 2.452 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598377696 673563880 /nfs/dbraw/zinc/56/38/80/673563880.db2.gz ZLFLKCWJJBDCMP-GFCCVEGCSA-N 0 3 353.806 2.231 20 5 FEBDHN Cc1ccc(NCCCNC(=S)NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000739462930 673632467 /nfs/dbraw/zinc/63/24/67/673632467.db2.gz YHLJJYRDXHHPOP-UHFFFAOYSA-N 0 3 365.503 2.264 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000543675042 673660683 /nfs/dbraw/zinc/66/06/83/673660683.db2.gz RCMOBXXSHAPMCL-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000543683843 673661581 /nfs/dbraw/zinc/66/15/81/673661581.db2.gz HCIZYNGRGNGWFH-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN O=[N+]([O-])c1sc(CNC[C@H](CO)[C@H]2CCOC2)cc1Br ZINC000602646496 673909182 /nfs/dbraw/zinc/90/91/82/673909182.db2.gz ZZBQFYPSRBHAKX-DTWKUNHWSA-N 0 3 365.249 2.153 20 5 FEBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000821053024 675409847 /nfs/dbraw/zinc/40/98/47/675409847.db2.gz SSOYGSQVERKMNV-CYBMUJFWSA-N 0 3 369.849 2.144 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000822235567 675473655 /nfs/dbraw/zinc/47/36/55/675473655.db2.gz MSMNCAWRKYQEAM-NSHDSACASA-N 0 3 368.821 2.421 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000839439738 680752911 /nfs/dbraw/zinc/75/29/11/680752911.db2.gz FDZDSQHPEGVTSD-ZDUSSCGKSA-N 0 3 350.375 2.366 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839520743 680758981 /nfs/dbraw/zinc/75/89/81/680758981.db2.gz OENGGUKEQCULOV-UHFFFAOYSA-N 0 3 370.837 2.233 20 5 FEBDHN CC([C@H](OC(=O)[C@H](C)Sc1nncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845879563 681158700 /nfs/dbraw/zinc/15/87/00/681158700.db2.gz XWWMSMRQNIMIHL-KWBADKCTSA-N 0 3 368.390 2.385 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000775999198 681355719 /nfs/dbraw/zinc/35/57/19/681355719.db2.gz HRNWAKXZOXNZRW-UONOGXRCSA-N 0 3 372.878 2.164 20 5 FEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352522 681527831 /nfs/dbraw/zinc/52/78/31/681527831.db2.gz QHSYCRUUUQBSHO-DGCLKSJQSA-N 0 3 361.427 2.346 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000935444718 681752193 /nfs/dbraw/zinc/75/21/93/681752193.db2.gz ADZHDLMJOLGMTD-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN NCc1cn([C@H]2CCCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)nn1 ZINC000853016356 682364201 /nfs/dbraw/zinc/36/42/01/682364201.db2.gz ZQDDFSRMVIWPAE-LBPRGKRZSA-N 0 3 352.345 2.424 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791060756 682721583 /nfs/dbraw/zinc/72/15/83/682721583.db2.gz MJYQMKRVCLAQBG-CYBMUJFWSA-N 0 3 363.443 2.450 20 5 FEBDHN CN1CCN(C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000865267608 683959767 /nfs/dbraw/zinc/95/97/67/683959767.db2.gz RQIHCGKBHGRCOE-UHFFFAOYSA-N 0 3 363.487 2.003 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1F ZINC000866972200 684189578 /nfs/dbraw/zinc/18/95/78/684189578.db2.gz NQKLZRBUKMBBBK-TZMCWYRMSA-N 0 3 371.434 2.147 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCCC3(CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000867224778 684228927 /nfs/dbraw/zinc/22/89/27/684228927.db2.gz DHRHLRIXQDFTDS-UHFFFAOYSA-N 0 3 373.500 2.461 20 5 FEBDHN O=C1NCCC12CCN(Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000931607811 684312465 /nfs/dbraw/zinc/31/24/65/684312465.db2.gz MACKHIFUSREVNM-UHFFFAOYSA-N 0 3 368.231 2.459 20 5 FEBDHN COc1cc(CNC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000873177467 685089262 /nfs/dbraw/zinc/08/92/62/685089262.db2.gz NVIKAHDKKHBYKI-HOMQSWHASA-N 0 3 364.320 2.405 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874829717 685677590 /nfs/dbraw/zinc/67/75/90/685677590.db2.gz NANJODXHBXUFSF-ZIAGYGMSSA-N 0 3 350.394 2.109 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877740127 686448075 /nfs/dbraw/zinc/44/80/75/686448075.db2.gz VBNKRGVPXDOVQF-UONOGXRCSA-N 0 3 366.439 2.332 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882769128 687480659 /nfs/dbraw/zinc/48/06/59/687480659.db2.gz IXHNDQRUHXAWRU-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN CCC[C@@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369060 690887787 /nfs/dbraw/zinc/88/77/87/690887787.db2.gz SFGIBFVBSJXFBI-CVEARBPZSA-N 0 3 356.444 2.229 20 5 FEBDHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000800309758 674040500 /nfs/dbraw/zinc/04/05/00/674040500.db2.gz RMCLIMNGNUTEEA-IINYFYTJSA-N 0 3 361.851 2.056 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000029369250 539851340 /nfs/dbraw/zinc/85/13/40/539851340.db2.gz WOJIPEIZLOWYIP-UHFFFAOYSA-N 0 3 352.460 2.025 20 5 FEBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCCC2)c1 ZINC000076267214 542251793 /nfs/dbraw/zinc/25/17/93/542251793.db2.gz ZHKYAKUYFVXVLK-CQSZACIVSA-N 0 3 358.402 2.225 20 5 FEBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535764 539884549 /nfs/dbraw/zinc/88/45/49/539884549.db2.gz ZYSDEBDPBQMWEO-DOMZBBRYSA-N 0 3 360.366 2.414 20 5 FEBDHN CN(C)Cc1cccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000046811756 540271926 /nfs/dbraw/zinc/27/19/26/540271926.db2.gz FEAGMWHTJLKFFC-UHFFFAOYSA-N 0 3 363.439 2.276 20 5 FEBDHN CCOC(=O)c1cc(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047145464 540292529 /nfs/dbraw/zinc/29/25/29/540292529.db2.gz DNDAYUPLNBSOFY-ZDUSSCGKSA-N 0 3 363.414 2.233 20 5 FEBDHN Cn1cc(C(=O)NCCN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053514628 540540419 /nfs/dbraw/zinc/54/04/19/540540419.db2.gz QIEZTJLGOIHZHZ-UHFFFAOYSA-N 0 3 357.414 2.211 20 5 FEBDHN COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000053992220 540563285 /nfs/dbraw/zinc/56/32/85/540563285.db2.gz LLGGCMVTYWRIPM-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055406606 540652261 /nfs/dbraw/zinc/65/22/61/540652261.db2.gz ONTPMBPCDFHKOL-CHWSQXEVSA-N 0 3 365.430 2.462 20 5 FEBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(c2ccncc2)CC1 ZINC000056197845 540711630 /nfs/dbraw/zinc/71/16/30/540711630.db2.gz DVPCMOXOFVDUTF-UHFFFAOYSA-N 0 3 351.366 2.434 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C2CC2)cc1OC ZINC000057715256 540811110 /nfs/dbraw/zinc/81/11/10/540811110.db2.gz UYMQTFZHQIBFGD-NSHDSACASA-N 0 3 351.403 2.215 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060950684 541124029 /nfs/dbraw/zinc/12/40/29/541124029.db2.gz HEVLZXVFGJAXCV-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CCN1CCC(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000063523682 541172345 /nfs/dbraw/zinc/17/23/45/541172345.db2.gz OWGQTLLGKOJULL-UHFFFAOYSA-N 0 3 362.474 2.406 20 5 FEBDHN CC(C)N1CCC(N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067154838 541426241 /nfs/dbraw/zinc/42/62/41/541426241.db2.gz ABXYPEKRQRDHCM-UHFFFAOYSA-N 0 3 372.429 2.120 20 5 FEBDHN Cc1nn(CCC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000067206627 541433319 /nfs/dbraw/zinc/43/33/19/541433319.db2.gz OSCOZXICOFABSK-INIZCTEOSA-N 0 3 371.441 2.318 20 5 FEBDHN COc1ccc(CC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000067909451 541527906 /nfs/dbraw/zinc/52/79/06/541527906.db2.gz DDTLTDABTMXHPU-QGZVFWFLSA-N 0 3 371.437 2.435 20 5 FEBDHN C[C@H]1CCCCN1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069034481 541650458 /nfs/dbraw/zinc/65/04/58/541650458.db2.gz YEUFKNBZEPFRPP-AWEZNQCLSA-N 0 3 350.419 2.147 20 5 FEBDHN Cc1nn(CCC(=O)NCc2ccc(CN(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000069368951 541680883 /nfs/dbraw/zinc/68/08/83/541680883.db2.gz UZBSJMMOVLPSDS-UHFFFAOYSA-N 0 3 359.430 2.176 20 5 FEBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074448494 542085837 /nfs/dbraw/zinc/08/58/37/542085837.db2.gz PNBBIDDIZYTKQC-KRWDZBQOSA-N 0 3 371.441 2.304 20 5 FEBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898749 542214428 /nfs/dbraw/zinc/21/44/28/542214428.db2.gz BECHKYATCMYMMA-HKUYNNGSSA-N 0 3 360.410 2.390 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081128381 542635467 /nfs/dbraw/zinc/63/54/67/542635467.db2.gz SGVSSJNIAJWCMC-QGZVFWFLSA-N 0 3 371.441 2.223 20 5 FEBDHN COC(=O)[C@@]1(C)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093813448 542941480 /nfs/dbraw/zinc/94/14/80/542941480.db2.gz LYJKPZRGZNHKPJ-SFHVURJKSA-N 0 3 358.398 2.380 20 5 FEBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000097251472 543008472 /nfs/dbraw/zinc/00/84/72/543008472.db2.gz ZIAQPPVDGRBQPI-ZDUSSCGKSA-N 0 3 361.427 2.399 20 5 FEBDHN CCOc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000108340716 543286915 /nfs/dbraw/zinc/28/69/15/543286915.db2.gz ZMXGUVUYMQRXKM-LBPRGKRZSA-N 0 3 351.403 2.074 20 5 FEBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)cc1SC ZINC000108341923 543287133 /nfs/dbraw/zinc/28/71/33/543287133.db2.gz CDZBKZSOYLLNRR-NSHDSACASA-N 0 3 353.444 2.397 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H](N3CCCCC3)C2)cc1 ZINC000108401795 543288965 /nfs/dbraw/zinc/28/89/65/543288965.db2.gz XVVAKCFTDKZLQW-KRWDZBQOSA-N 0 3 367.471 2.375 20 5 FEBDHN CN(C)Cc1ccccc1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000109248851 543318918 /nfs/dbraw/zinc/31/89/18/543318918.db2.gz HYYMTHDEDJPVPO-UHFFFAOYSA-N 0 3 371.393 2.164 20 5 FEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115432663 543566771 /nfs/dbraw/zinc/56/67/71/543566771.db2.gz WGQIDUMTCQHGLR-CQSZACIVSA-N 0 3 357.414 2.194 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247477461 549339854 /nfs/dbraw/zinc/33/98/54/549339854.db2.gz SNBPUIWIOPPKRE-CXAGYDPISA-N 0 3 357.414 2.193 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000124667316 543835854 /nfs/dbraw/zinc/83/58/54/543835854.db2.gz CHYVQKBAHWVQJZ-DYVFJYSZSA-N 0 3 357.414 2.335 20 5 FEBDHN O=C1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000125374113 543878002 /nfs/dbraw/zinc/87/80/02/543878002.db2.gz FIDNUDWDQSEAPU-RDTXWAMCSA-N 0 3 359.426 2.449 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000130641497 544159256 /nfs/dbraw/zinc/15/92/56/544159256.db2.gz INVRBEHLYQWUNK-KBPBESRZSA-N 0 3 355.460 2.135 20 5 FEBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131457607 544190863 /nfs/dbraw/zinc/19/08/63/544190863.db2.gz FVOPTILTMJOWLU-OAHLLOKOSA-N 0 3 366.849 2.162 20 5 FEBDHN CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1COc2ccccc2O1 ZINC000131155632 544178895 /nfs/dbraw/zinc/17/88/95/544178895.db2.gz WPMHYKCZFAXZBE-MRXNPFEDSA-N 0 3 373.409 2.309 20 5 FEBDHN COCCN1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000138556339 544396607 /nfs/dbraw/zinc/39/66/07/544396607.db2.gz NIJOGBLMEGKCLA-CYBMUJFWSA-N 0 3 367.471 2.302 20 5 FEBDHN COc1cc(S(=O)(=O)NCCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000150777164 544469155 /nfs/dbraw/zinc/46/91/55/544469155.db2.gz UDLVNGWTEQKFHA-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151644763 544565336 /nfs/dbraw/zinc/56/53/36/544565336.db2.gz FVXBWWJCNAFLBC-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN CN(C)S(=O)(=O)c1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000151867592 544589988 /nfs/dbraw/zinc/58/99/88/544589988.db2.gz SCOSNZNZTMSBQM-UHFFFAOYSA-N 0 3 370.475 2.133 20 5 FEBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000152372815 544644384 /nfs/dbraw/zinc/64/43/84/544644384.db2.gz QXBBSDZGEWNTJU-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775772 544822127 /nfs/dbraw/zinc/82/21/27/544822127.db2.gz JFTYSUBUCHXPEC-QXGSTGNESA-N 0 3 363.458 2.202 20 5 FEBDHN Cc1c(C(=O)N(C)CC2(N(C)C)CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000186998445 327996201 /nfs/dbraw/zinc/99/62/01/327996201.db2.gz LDAOASIGBZSZSQ-UHFFFAOYSA-N 0 3 372.429 2.040 20 5 FEBDHN CSc1cccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000187095138 328001953 /nfs/dbraw/zinc/00/19/53/328001953.db2.gz HHYQGEIREKUGDP-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN CC[C@]1(CO)CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187609771 328035846 /nfs/dbraw/zinc/03/58/46/328035846.db2.gz YWNOKBTWZBSGGT-SFHVURJKSA-N 0 3 365.430 2.417 20 5 FEBDHN CN(C)C1(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000188230649 328074505 /nfs/dbraw/zinc/07/45/05/328074505.db2.gz CESIRAHINVWKNL-UHFFFAOYSA-N 0 3 368.821 2.129 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000189078935 328127343 /nfs/dbraw/zinc/12/73/43/328127343.db2.gz YUSIKZIKTYRYBH-UHFFFAOYSA-N 0 3 355.398 2.218 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000191889056 328287035 /nfs/dbraw/zinc/28/70/35/328287035.db2.gz MAPVLEUBGVPMGR-GFCCVEGCSA-N 0 3 355.460 2.222 20 5 FEBDHN CC(C)C(=O)N1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192884280 328344990 /nfs/dbraw/zinc/34/49/90/328344990.db2.gz PHISQLOHRKUAIL-CYBMUJFWSA-N 0 3 362.430 2.158 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000083025688 325210530 /nfs/dbraw/zinc/21/05/30/325210530.db2.gz WJTYTIUSLKUWCA-KBPBESRZSA-N 0 3 365.430 2.223 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000090554323 325363529 /nfs/dbraw/zinc/36/35/29/325363529.db2.gz RKLPGJPAVFDEFK-GOSISDBHSA-N 0 3 357.410 2.128 20 5 FEBDHN O=C(CN1CCC[C@H](N2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000108378196 325641210 /nfs/dbraw/zinc/64/12/10/325641210.db2.gz HDQDWJYXJOUNHL-SFHVURJKSA-N 0 3 372.469 2.434 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118792961 326102708 /nfs/dbraw/zinc/10/27/08/326102708.db2.gz GJOUQMHZNJDTNK-AWEZNQCLSA-N 0 3 363.462 2.298 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1C ZINC000120866337 326294722 /nfs/dbraw/zinc/29/47/22/326294722.db2.gz LBMMXFDBSVWLQP-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCN(Cc2ccccc2)CC1 ZINC000122389158 326394785 /nfs/dbraw/zinc/39/47/85/326394785.db2.gz DLRBJFVYZULPAH-UHFFFAOYSA-N 0 3 357.414 2.065 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000126764671 326494742 /nfs/dbraw/zinc/49/47/42/326494742.db2.gz IZWDEWBOYNRCIC-MRXNPFEDSA-N 0 3 359.382 2.148 20 5 FEBDHN Cc1c(CC(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000128777012 326529640 /nfs/dbraw/zinc/52/96/40/326529640.db2.gz IIGARWPYUJGLJG-GJZGRUSLSA-N 0 3 363.458 2.451 20 5 FEBDHN O=C(COc1c(Cl)cccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000130446304 326557078 /nfs/dbraw/zinc/55/70/78/326557078.db2.gz GCRJCFDUJXWEEK-UHFFFAOYSA-N 0 3 353.806 2.370 20 5 FEBDHN COc1cc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000150797721 326668205 /nfs/dbraw/zinc/66/82/05/326668205.db2.gz HKOXZOAPYUCHMS-ZDUSSCGKSA-N 0 3 371.459 2.004 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150806493 326668462 /nfs/dbraw/zinc/66/84/62/326668462.db2.gz VHAUDRURLIEWDR-UHFFFAOYSA-N 0 3 371.459 2.004 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1C ZINC000151636173 326687459 /nfs/dbraw/zinc/68/74/59/326687459.db2.gz MMADNHHGBLZCEL-HNNXBMFYSA-N 0 3 367.471 2.318 20 5 FEBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000153385485 326731545 /nfs/dbraw/zinc/73/15/45/326731545.db2.gz PPWJEJGPTVOYMU-IBGZPJMESA-N 0 3 373.409 2.430 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157300595 326861455 /nfs/dbraw/zinc/86/14/55/326861455.db2.gz QRWGERQGTYNQJI-UHFFFAOYSA-N 0 3 373.409 2.270 20 5 FEBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000161959162 327013356 /nfs/dbraw/zinc/01/33/56/327013356.db2.gz UITFTOXESQSKFA-LLVKDONJSA-N 0 3 355.441 2.285 20 5 FEBDHN CCN1CCN([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237938 327188959 /nfs/dbraw/zinc/18/89/59/327188959.db2.gz DFHYBUMFEPIALA-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000172312419 327195083 /nfs/dbraw/zinc/19/50/83/327195083.db2.gz FYMXWEOUNHHLOE-UHFFFAOYSA-N 0 3 367.793 2.024 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000172485192 327203790 /nfs/dbraw/zinc/20/37/90/327203790.db2.gz AUMPGGCGFNOZAS-RDJZCZTQSA-N 0 3 371.441 2.303 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173830069 327287393 /nfs/dbraw/zinc/28/73/93/327287393.db2.gz DPKORCGBQZHCGC-WCQYABFASA-N 0 3 373.862 2.496 20 5 FEBDHN CC(C)COC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802221 327351929 /nfs/dbraw/zinc/35/19/29/327351929.db2.gz QVKQRXHXOMNQEX-INIZCTEOSA-N 0 3 352.431 2.472 20 5 FEBDHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082194 329088641 /nfs/dbraw/zinc/08/86/41/329088641.db2.gz QQMRXAMFRVNYJI-WDEREUQCSA-N 0 3 351.794 2.450 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000265242474 329106216 /nfs/dbraw/zinc/10/62/16/329106216.db2.gz UJTKHBBRERTROY-UHFFFAOYSA-N 0 3 355.460 2.397 20 5 FEBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000265381906 329120870 /nfs/dbraw/zinc/12/08/70/329120870.db2.gz QJNWTRXGGZOMAL-UHFFFAOYSA-N 0 3 367.793 2.472 20 5 FEBDHN COc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265965364 329177311 /nfs/dbraw/zinc/17/73/11/329177311.db2.gz RZCIJYHMBBHQEZ-ZDUSSCGKSA-N 0 3 365.430 2.462 20 5 FEBDHN COc1cc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000266908275 329271593 /nfs/dbraw/zinc/27/15/93/329271593.db2.gz ILJHZTSFZMATQJ-OAHLLOKOSA-N 0 3 362.382 2.181 20 5 FEBDHN CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271114847 329663666 /nfs/dbraw/zinc/66/36/66/329663666.db2.gz QNRVDCCDFFKNIG-WDEREUQCSA-N 0 3 361.265 2.234 20 5 FEBDHN O=C(CCN1CCN(C2CCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275454685 330050648 /nfs/dbraw/zinc/05/06/48/330050648.db2.gz IYIOGFSVAIODME-UHFFFAOYSA-N 0 3 350.394 2.233 20 5 FEBDHN COc1cc(C(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c1OC ZINC000275720404 330081227 /nfs/dbraw/zinc/08/12/27/330081227.db2.gz INSDPKULPYDVJO-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@@H]1C ZINC000478583244 561170240 /nfs/dbraw/zinc/17/02/40/561170240.db2.gz GWLQCMAXZSSDMS-QWHCGFSZSA-N 0 3 363.414 2.359 20 5 FEBDHN CCCCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000480513443 561211053 /nfs/dbraw/zinc/21/10/53/561211053.db2.gz CVJWGPUIFNBJIA-CQSZACIVSA-N 0 3 370.475 2.309 20 5 FEBDHN Cc1c([C@H](C)NCCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000480661310 561213885 /nfs/dbraw/zinc/21/38/85/561213885.db2.gz ICBWAXXDUFCNOU-ZDUSSCGKSA-N 0 3 360.414 2.418 20 5 FEBDHN CC[C@@H]1Oc2cc([C@@H](C)NCCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004952 547037467 /nfs/dbraw/zinc/03/74/67/547037467.db2.gz HXFFOEMQQZTXNV-RISCZKNCSA-N 0 3 359.386 2.252 20 5 FEBDHN COc1cnccc1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000483196548 561270084 /nfs/dbraw/zinc/27/00/84/561270084.db2.gz NIJLDVATMYZJDV-UHFFFAOYSA-N 0 3 368.397 2.197 20 5 FEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1CN1CCCCC1 ZINC000181458059 547318212 /nfs/dbraw/zinc/31/82/12/547318212.db2.gz LWZJNIVVMRKOEF-AWEZNQCLSA-N 0 3 361.398 2.414 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183400225 547650996 /nfs/dbraw/zinc/65/09/96/547650996.db2.gz LYKMZXYXTUNYFR-GOSISDBHSA-N 0 3 369.421 2.400 20 5 FEBDHN CN(C)[C@H](CNC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184567644 547847154 /nfs/dbraw/zinc/84/71/54/547847154.db2.gz HVOJZKAGMKFTOM-LJQANCHMSA-N 0 3 370.453 2.446 20 5 FEBDHN CN(C)[C@H](CNC(=O)CN1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000184607488 547853604 /nfs/dbraw/zinc/85/36/04/547853604.db2.gz TTXJTWCSUXRDJN-LJQANCHMSA-N 0 3 368.437 2.376 20 5 FEBDHN COCCN(C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184730914 547871614 /nfs/dbraw/zinc/87/16/14/547871614.db2.gz NFKPJBLMZWTUBG-UHFFFAOYSA-N 0 3 358.826 2.016 20 5 FEBDHN CCOC(=O)c1cc(N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827228 547883841 /nfs/dbraw/zinc/88/38/41/547883841.db2.gz BZSSOYKSENUFJU-CQSZACIVSA-N 0 3 364.446 2.209 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186138162 548090415 /nfs/dbraw/zinc/09/04/15/548090415.db2.gz QYYPJUCYCHQGDG-QGZVFWFLSA-N 0 3 359.430 2.064 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000487819231 561376662 /nfs/dbraw/zinc/37/66/62/561376662.db2.gz PMDAWOQOAURSRY-CYBMUJFWSA-N 0 3 352.822 2.327 20 5 FEBDHN O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000245925864 549021612 /nfs/dbraw/zinc/02/16/12/549021612.db2.gz XLSRYHBMBTXESK-FHLIZLRMSA-N 0 3 359.426 2.104 20 5 FEBDHN O=C1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000246225899 549083824 /nfs/dbraw/zinc/08/38/24/549083824.db2.gz FIDNUDWDQSEAPU-KBXCAEBGSA-N 0 3 359.426 2.449 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000246458114 549137623 /nfs/dbraw/zinc/13/76/23/549137623.db2.gz ABUDMRGVSUMBSF-XJKSGUPXSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000247156352 549292522 /nfs/dbraw/zinc/29/25/22/549292522.db2.gz AHQDDULAWOOVJR-LRDDRELGSA-N 0 3 363.443 2.052 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261856472 549762191 /nfs/dbraw/zinc/76/21/91/549762191.db2.gz VYYIUXVTDBRLAI-DLBZAZTESA-N 0 3 354.410 2.268 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262836619 549854543 /nfs/dbraw/zinc/85/45/43/549854543.db2.gz WJAONUFFWURRSW-RYUDHWBXSA-N 0 3 353.444 2.045 20 5 FEBDHN CS[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000490860395 561439274 /nfs/dbraw/zinc/43/92/74/561439274.db2.gz ROROUIMRCZDAST-LSDHHAIUSA-N 0 3 351.472 2.376 20 5 FEBDHN O=C(Nc1ccc2c(c1)CNCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269222652 550169597 /nfs/dbraw/zinc/16/95/97/550169597.db2.gz SBSUOTWCZXRJET-UHFFFAOYSA-N 0 3 355.350 2.264 20 5 FEBDHN COc1cc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781064 561452710 /nfs/dbraw/zinc/45/27/10/561452710.db2.gz ACFOLVFGCAZDTC-DOTOQJQBSA-N 0 3 362.474 2.061 20 5 FEBDHN CCC(CC)(CNCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000270780396 550306159 /nfs/dbraw/zinc/30/61/59/550306159.db2.gz HDUYQHITUVKXIJ-UHFFFAOYSA-N 0 3 351.403 2.127 20 5 FEBDHN COCCCN1CCC(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271751405 550399599 /nfs/dbraw/zinc/39/95/99/550399599.db2.gz YUJUOVYZELJVDJ-CQSZACIVSA-N 0 3 364.446 2.456 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCCN1CCN(C)CC1 ZINC000272564575 550458193 /nfs/dbraw/zinc/45/81/93/550458193.db2.gz URBQNUCPIUFCOS-UHFFFAOYSA-N 0 3 350.463 2.063 20 5 FEBDHN Cc1cc(C(=O)NCC(=O)Nc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000272858850 550473916 /nfs/dbraw/zinc/47/39/16/550473916.db2.gz RUQPFRUQHVMQJM-UHFFFAOYSA-N 0 3 370.409 2.333 20 5 FEBDHN Cc1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000494515529 561471060 /nfs/dbraw/zinc/47/10/60/561471060.db2.gz YOHNZBXDJGRZCT-LBPRGKRZSA-N 0 3 358.398 2.109 20 5 FEBDHN CCN1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273512243 550501333 /nfs/dbraw/zinc/50/13/33/550501333.db2.gz XBABSGCLCDXNGY-UHFFFAOYSA-N 0 3 367.425 2.273 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089795 550522601 /nfs/dbraw/zinc/52/26/01/550522601.db2.gz TYLLEFYHHNQXAG-NXEZZACHSA-N 0 3 357.794 2.364 20 5 FEBDHN COc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc([N+](=O)[O-])c1C ZINC000276881245 550606637 /nfs/dbraw/zinc/60/66/37/550606637.db2.gz LALKCFJCQUQCQN-INIZCTEOSA-N 0 3 353.444 2.079 20 5 FEBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277106642 550632672 /nfs/dbraw/zinc/63/26/72/550632672.db2.gz XKDUPQCZPRRFBT-UHFFFAOYSA-N 0 3 354.382 2.003 20 5 FEBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496272250 561493335 /nfs/dbraw/zinc/49/33/35/561493335.db2.gz OADDNVYTRHXWHD-HNNXBMFYSA-N 0 3 357.414 2.445 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000282657864 551256499 /nfs/dbraw/zinc/25/64/99/551256499.db2.gz GDZCMHXCWONFEJ-QGZVFWFLSA-N 0 3 371.441 2.208 20 5 FEBDHN CN1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282849352 551277433 /nfs/dbraw/zinc/27/74/33/551277433.db2.gz WTMLSTMNHQFUSA-UHFFFAOYSA-N 0 3 369.853 2.396 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284201465 551503240 /nfs/dbraw/zinc/50/32/40/551503240.db2.gz SMSUIXXQLDDESF-ZDUSSCGKSA-N 0 3 364.402 2.188 20 5 FEBDHN CC(C)OC(=O)C[C@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217222 561519080 /nfs/dbraw/zinc/51/90/80/561519080.db2.gz VDWSQQXDMNZGLO-NEPJUHHUSA-N 0 3 373.356 2.076 20 5 FEBDHN COc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021723 551839747 /nfs/dbraw/zinc/83/97/47/551839747.db2.gz ZOJRHVMZSDPKKG-GXTWGEPZSA-N 0 3 363.414 2.311 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CCO)CCN(C)CC1 ZINC000499124828 561544211 /nfs/dbraw/zinc/54/42/11/561544211.db2.gz OWJHIPXFUAWFAL-ZDUSSCGKSA-N 0 3 367.471 2.038 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000287374226 551995948 /nfs/dbraw/zinc/99/59/48/551995948.db2.gz OHIKYEHIIXNSRQ-UHFFFAOYSA-N 0 3 372.429 2.124 20 5 FEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343682 552137291 /nfs/dbraw/zinc/13/72/91/552137291.db2.gz JYHYPHYAGVDPSI-STQMWFEESA-N 0 3 364.421 2.499 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288380333 552143904 /nfs/dbraw/zinc/14/39/04/552143904.db2.gz VICXAFKKJMASNM-YOEHRIQHSA-N 0 3 371.441 2.269 20 5 FEBDHN C[C@@]1(C[C@H]2CCCN2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623602 552351499 /nfs/dbraw/zinc/35/14/99/552351499.db2.gz LQFFZDTYDIVCEI-SXJDMRHMSA-N 0 3 358.398 2.061 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCCn3cc(CO)nn3)o2)c1 ZINC000289958106 552405549 /nfs/dbraw/zinc/40/55/49/552405549.db2.gz VGIBULXACSMRJW-UHFFFAOYSA-N 0 3 357.370 2.119 20 5 FEBDHN CC(C)(CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000290466024 552483356 /nfs/dbraw/zinc/48/33/56/552483356.db2.gz GBLBXWAVKYTANO-UHFFFAOYSA-N 0 3 369.425 2.338 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000290582005 552502070 /nfs/dbraw/zinc/50/20/70/552502070.db2.gz URLWBYMFDMANNE-CZUORRHYSA-N 0 3 374.441 2.181 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290780850 552536774 /nfs/dbraw/zinc/53/67/74/552536774.db2.gz MYEFERRWSKNAQP-CQSZACIVSA-N 0 3 369.425 2.190 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)[C@H](CO)C1 ZINC000291891816 552672319 /nfs/dbraw/zinc/67/23/19/552672319.db2.gz QSQOHZXGZOVKAX-LBPRGKRZSA-N 0 3 357.357 2.181 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000292928813 552771998 /nfs/dbraw/zinc/77/19/98/552771998.db2.gz YSQRKWLLYJFWKN-MRXNPFEDSA-N 0 3 353.444 2.010 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN(C2CCC2)C1 ZINC000293622140 552841247 /nfs/dbraw/zinc/84/12/47/552841247.db2.gz FSUNXXZNVGFRDF-NSHDSACASA-N 0 3 350.394 2.263 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294511928 552912064 /nfs/dbraw/zinc/91/20/64/552912064.db2.gz QSIPTESNRPEEQU-UHFFFAOYSA-N 0 3 355.398 2.342 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCCN(CCCO)C2)c1 ZINC000295045121 552953669 /nfs/dbraw/zinc/95/36/69/552953669.db2.gz FEKHTBPEQOGAKE-CYBMUJFWSA-N 0 3 359.373 2.133 20 5 FEBDHN C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1=CCN(C)CC1 ZINC000295630542 553036574 /nfs/dbraw/zinc/03/65/74/553036574.db2.gz BGGNILOORNJLHM-LBPRGKRZSA-N 0 3 355.398 2.365 20 5 FEBDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295789996 553059546 /nfs/dbraw/zinc/05/95/46/553059546.db2.gz RMGPEUFDEXGFOM-QWRGUYRKSA-N 0 3 364.427 2.263 20 5 FEBDHN CCc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000299124713 553518640 /nfs/dbraw/zinc/51/86/40/553518640.db2.gz KFCXQLFNBGFRBW-QGZVFWFLSA-N 0 3 359.430 2.163 20 5 FEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1Cc1ccccc1 ZINC000301617529 553666144 /nfs/dbraw/zinc/66/61/44/553666144.db2.gz KMVAKUYMXUDAIE-JSGCOSHPSA-N 0 3 355.398 2.164 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NCCCN1CCC(O)CC1 ZINC000301678894 553671332 /nfs/dbraw/zinc/67/13/32/553671332.db2.gz ITFOBGWAOIOHFK-UHFFFAOYSA-N 0 3 359.224 2.011 20 5 FEBDHN CC(C)CN1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301866997 553686972 /nfs/dbraw/zinc/68/69/72/553686972.db2.gz GFVGXAYNIKNCMT-ZDUSSCGKSA-N 0 3 355.460 2.388 20 5 FEBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000505606263 561675110 /nfs/dbraw/zinc/67/51/10/561675110.db2.gz IMZMCBJMXOUSDH-UHFFFAOYSA-N 0 3 371.441 2.133 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000319215336 553763566 /nfs/dbraw/zinc/76/35/66/553763566.db2.gz SAQCVVMUGRHSJS-SNVBAGLBSA-N 0 3 369.219 2.063 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000330762016 554168339 /nfs/dbraw/zinc/16/83/39/554168339.db2.gz OARFBBFQXMOXGY-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000332569880 554473371 /nfs/dbraw/zinc/47/33/71/554473371.db2.gz CTKVTTIDMUNNHL-LLVKDONJSA-N 0 3 373.331 2.456 20 5 FEBDHN CN(CCC(=O)Nc1ccc(C(N)=O)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511109372 561857434 /nfs/dbraw/zinc/85/74/34/561857434.db2.gz UFIWUBONEGPBKX-UHFFFAOYSA-N 0 3 370.409 2.197 20 5 FEBDHN CN1C(=O)N[C@]2(CCC[C@H]2CNCc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023440 554860167 /nfs/dbraw/zinc/86/01/67/554860167.db2.gz RORQPOSBLPDZBF-ZBEGNZNMSA-N 0 3 366.805 2.058 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361503831 554922140 /nfs/dbraw/zinc/92/21/40/554922140.db2.gz PYYZDMYATWKMCJ-XKQJLSEDSA-N 0 3 374.441 2.350 20 5 FEBDHN CN(CC1CCN(c2ccncc2)CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000363152079 555041271 /nfs/dbraw/zinc/04/12/71/555041271.db2.gz QHDPJVZTMHZJBH-UHFFFAOYSA-N 0 3 369.425 2.442 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1cccs1 ZINC000364965461 555452311 /nfs/dbraw/zinc/45/23/11/555452311.db2.gz UBDFUXHIWAKBKA-IINYFYTJSA-N 0 3 361.427 2.056 20 5 FEBDHN C[C@@H](CO)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000364967688 555452594 /nfs/dbraw/zinc/45/25/94/555452594.db2.gz AHBJUIVLQWASFR-LBPRGKRZSA-N 0 3 359.373 2.085 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000365028478 555468555 /nfs/dbraw/zinc/46/85/55/555468555.db2.gz CXRIPCRVQOBZEA-ZDUSSCGKSA-N 0 3 350.419 2.132 20 5 FEBDHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365824614 555675859 /nfs/dbraw/zinc/67/58/59/555675859.db2.gz ZAIAAVHYNAAOKP-QGZVFWFLSA-N 0 3 374.441 2.485 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000513478005 561939912 /nfs/dbraw/zinc/93/99/12/561939912.db2.gz ANRVSUBKIVAOQN-GPMSIDNRSA-N 0 3 365.474 2.275 20 5 FEBDHN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000514027960 561958215 /nfs/dbraw/zinc/95/82/15/561958215.db2.gz YJBHJCZKBABYIJ-OAHLLOKOSA-N 0 3 363.462 2.426 20 5 FEBDHN O=C1NC[C@@H]2[C@H]1CCCN2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000366908668 555966237 /nfs/dbraw/zinc/96/62/37/555966237.db2.gz DWMGDPCEVNMRIW-HUUCEWRRSA-N 0 3 356.382 2.003 20 5 FEBDHN Nc1nccc([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990264 555990958 /nfs/dbraw/zinc/99/09/58/555990958.db2.gz SHSBAWACZDMZBR-ZDUSSCGKSA-N 0 3 370.413 2.175 20 5 FEBDHN CN(C)C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1 ZINC000515046108 561993550 /nfs/dbraw/zinc/99/35/50/561993550.db2.gz KPYTVDCOBDBXJM-GFCCVEGCSA-N 0 3 351.794 2.014 20 5 FEBDHN CSc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000515052002 561993767 /nfs/dbraw/zinc/99/37/67/561993767.db2.gz AMUBUQQJKKYDNO-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000368256059 556260353 /nfs/dbraw/zinc/26/03/53/556260353.db2.gz KUZUAFOPNOFTLN-UHFFFAOYSA-N 0 3 370.409 2.371 20 5 FEBDHN Cc1c(C(=O)Nc2cnc3c(c2)CNCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368583505 556352720 /nfs/dbraw/zinc/35/27/20/556352720.db2.gz OUVIYLZCKQSXCZ-UHFFFAOYSA-N 0 3 357.326 2.104 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368592274 556356383 /nfs/dbraw/zinc/35/63/83/556356383.db2.gz QATIYLXMLZWSTO-KBXCAEBGSA-N 0 3 358.442 2.361 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOCC2(CCCC2)C1 ZINC000369015196 556476723 /nfs/dbraw/zinc/47/67/23/556476723.db2.gz DSGGFHCERYVRAI-HNNXBMFYSA-N 0 3 350.415 2.227 20 5 FEBDHN Cc1sc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000369279421 556562394 /nfs/dbraw/zinc/56/23/94/556562394.db2.gz LUPJAGWYZHKJTP-GFCCVEGCSA-N 0 3 366.487 2.205 20 5 FEBDHN CN1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000369573318 556635055 /nfs/dbraw/zinc/63/50/55/556635055.db2.gz KPLTURRCWDJFQX-WBMJQRKESA-N 0 3 363.443 2.052 20 5 FEBDHN CCN(C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516352764 562040576 /nfs/dbraw/zinc/04/05/76/562040576.db2.gz DFSXXAJPAZRWNH-UHFFFAOYSA-N 0 3 363.199 2.241 20 5 FEBDHN Cc1cccc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000369782271 556693098 /nfs/dbraw/zinc/69/30/98/556693098.db2.gz MFSHJRRKKVVZGM-KRWDZBQOSA-N 0 3 374.441 2.312 20 5 FEBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000370147946 556794479 /nfs/dbraw/zinc/79/44/79/556794479.db2.gz HLTBPTDJCCXINX-RHSMWYFYSA-N 0 3 373.457 2.194 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370505169 556893243 /nfs/dbraw/zinc/89/32/43/556893243.db2.gz QLDCUUZJEQWXTR-CQSZACIVSA-N 0 3 356.382 2.268 20 5 FEBDHN Cc1c([C@@H](C)NC[C@@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283537 557130550 /nfs/dbraw/zinc/13/05/50/557130550.db2.gz LDIWWQKIUVKDCO-APWZRJJASA-N 0 3 363.458 2.435 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000517730602 562096486 /nfs/dbraw/zinc/09/64/86/562096486.db2.gz QUSBOIKOWVRSGM-CABCVRRESA-N 0 3 363.462 2.426 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1Cn1cccn1 ZINC000371689970 557263634 /nfs/dbraw/zinc/26/36/34/557263634.db2.gz UOJSFTWNJGZLEI-HZPDHXFCSA-N 0 3 360.414 2.086 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713798 557272391 /nfs/dbraw/zinc/27/23/91/557272391.db2.gz DRBOVXQIMPMDSF-MSOLQXFVSA-N 0 3 363.414 2.479 20 5 FEBDHN O=C1[C@H](N2CC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366431 557872711 /nfs/dbraw/zinc/87/27/11/557872711.db2.gz NUBWWCLGPASVNM-CRAIPNDOSA-N 0 3 359.426 2.449 20 5 FEBDHN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(C2CC2)C1 ZINC000521079880 562169178 /nfs/dbraw/zinc/16/91/78/562169178.db2.gz ABQOOSQBHAHTNN-INIZCTEOSA-N 0 3 355.398 2.089 20 5 FEBDHN COc1cccc([C@@H]2C[C@H](C)CN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598585 557904803 /nfs/dbraw/zinc/90/48/03/557904803.db2.gz XUAAWFFYIUYUDQ-XCRHUMRWSA-N 0 3 360.414 2.244 20 5 FEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000374906012 557948910 /nfs/dbraw/zinc/94/89/10/557948910.db2.gz BLPWOBDBDUYRHX-RHSMWYFYSA-N 0 3 350.438 2.192 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CCOCC3)CC2)c1 ZINC000375270881 558002018 /nfs/dbraw/zinc/00/20/18/558002018.db2.gz ABKIHFJOJNSHPE-MRXNPFEDSA-N 0 3 350.415 2.227 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375998339 558111514 /nfs/dbraw/zinc/11/15/14/558111514.db2.gz FXJIARHRZPWSEJ-UHFFFAOYSA-N 0 3 367.471 2.232 20 5 FEBDHN CC(=O)c1cc(N2CCC[C@H](CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376187486 558138528 /nfs/dbraw/zinc/13/85/28/558138528.db2.gz KKMIWWYPMGUXOV-MRXNPFEDSA-N 0 3 360.458 2.261 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000376212192 558142152 /nfs/dbraw/zinc/14/21/52/558142152.db2.gz SGJPCLDEMMKBJQ-CRAIPNDOSA-N 0 3 362.474 2.203 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1 ZINC000521681831 562182162 /nfs/dbraw/zinc/18/21/62/562182162.db2.gz BGUGUMKOJZHGPM-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN CC(=O)c1cc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450856 558174971 /nfs/dbraw/zinc/17/49/71/558174971.db2.gz SGWCMZBDDGJRSG-CQSZACIVSA-N 0 3 360.458 2.402 20 5 FEBDHN Cc1cc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258633 558300113 /nfs/dbraw/zinc/30/01/13/558300113.db2.gz SUQVOYGUOKPHEN-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000522037501 562189978 /nfs/dbraw/zinc/18/99/78/562189978.db2.gz LPADJTIGIPDMJQ-HNNXBMFYSA-N 0 3 355.398 2.089 20 5 FEBDHN COc1ccc(CN(C)C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000378111230 558483807 /nfs/dbraw/zinc/48/38/07/558483807.db2.gz MRIQSJAYEFGGOD-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCN(c3nccn4cnnc34)C2)cs1 ZINC000378189963 558499370 /nfs/dbraw/zinc/49/93/70/558499370.db2.gz BMQVRNQDNHZUMJ-GFCCVEGCSA-N 0 3 373.442 2.100 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000378318641 558528579 /nfs/dbraw/zinc/52/85/79/558528579.db2.gz XPQMALVRPIYQMM-IEBWSBKVSA-N 0 3 357.410 2.345 20 5 FEBDHN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000378365115 558539876 /nfs/dbraw/zinc/53/98/76/558539876.db2.gz IBCOJIGFAWJPDG-MRXNPFEDSA-N 0 3 374.485 2.154 20 5 FEBDHN CCOc1cc(C(=O)NCCN(CC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000523898208 562221200 /nfs/dbraw/zinc/22/12/00/562221200.db2.gz WVQBWPMLJOZHMQ-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378501294 558570884 /nfs/dbraw/zinc/57/08/84/558570884.db2.gz ZCPMMIGKNSBHCV-OAHLLOKOSA-N 0 3 369.368 2.056 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1C ZINC000408061669 558642421 /nfs/dbraw/zinc/64/24/21/558642421.db2.gz LJAQDDOLCCSSBW-CABCVRRESA-N 0 3 353.444 2.117 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@H](O)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067363 562223651 /nfs/dbraw/zinc/22/36/51/562223651.db2.gz MQWIYUXZSSLWKQ-PXAZEXFGSA-N 0 3 362.382 2.350 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408063827 558642769 /nfs/dbraw/zinc/64/27/69/558642769.db2.gz XCXVKLSFGRVBCR-UONOGXRCSA-N 0 3 373.862 2.462 20 5 FEBDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182443 558654820 /nfs/dbraw/zinc/65/48/20/558654820.db2.gz KRVWHBQBBWHGCU-RHSMWYFYSA-N 0 3 358.442 2.043 20 5 FEBDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316031 558666144 /nfs/dbraw/zinc/66/61/44/558666144.db2.gz NFEZEXZYUHASJN-OLZOCXBDSA-N 0 3 371.434 2.290 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1C ZINC000408337382 558667865 /nfs/dbraw/zinc/66/78/65/558667865.db2.gz UNNKKQGLKAOCCK-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000409720972 558716731 /nfs/dbraw/zinc/71/67/31/558716731.db2.gz JQXWGYOEIDBJFQ-CYBMUJFWSA-N 0 3 367.471 2.139 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000411589941 558924602 /nfs/dbraw/zinc/92/46/02/558924602.db2.gz IRQZYKVDHFVDGE-UHFFFAOYSA-N 0 3 362.430 2.141 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721311 558950342 /nfs/dbraw/zinc/95/03/42/558950342.db2.gz OJTOTXIGEOGSDL-OKILXGFUSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2CCCN(C)C2)c1F ZINC000412108062 559014504 /nfs/dbraw/zinc/01/45/04/559014504.db2.gz HCMXVIWNVLDQMU-GFCCVEGCSA-N 0 3 353.394 2.085 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1F ZINC000413630162 559121477 /nfs/dbraw/zinc/12/14/77/559121477.db2.gz KIRGPNWCEHBMDH-OCCSQVGLSA-N 0 3 365.405 2.228 20 5 FEBDHN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1OCCN(C)C ZINC000416337808 559306474 /nfs/dbraw/zinc/30/64/74/559306474.db2.gz BICIWPSJYLUKRA-UHFFFAOYSA-N 0 3 374.397 2.378 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416559858 559321803 /nfs/dbraw/zinc/32/18/03/559321803.db2.gz KTSUWKFPWADAFW-CYBMUJFWSA-N 0 3 355.460 2.167 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)NCC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000416561067 559322014 /nfs/dbraw/zinc/32/20/14/559322014.db2.gz TYONVECJSBASTF-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000416665869 559328694 /nfs/dbraw/zinc/32/86/94/559328694.db2.gz VLNKCIVIEYNFMK-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCNCc1cccnc1 ZINC000418327473 559397591 /nfs/dbraw/zinc/39/75/91/559397591.db2.gz MFMWWXBCNGSVAB-UHFFFAOYSA-N 0 3 357.414 2.311 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420007859 559468636 /nfs/dbraw/zinc/46/86/36/559468636.db2.gz CWKLLWYTJJIHHM-AWEZNQCLSA-N 0 3 363.336 2.046 20 5 FEBDHN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420457513 559488560 /nfs/dbraw/zinc/48/85/60/559488560.db2.gz OQYGTSSAEAFMLH-IUCAKERBSA-N 0 3 367.349 2.019 20 5 FEBDHN CNC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000421373275 559540419 /nfs/dbraw/zinc/54/04/19/559540419.db2.gz DVAWZMPBBXKYMT-GFCCVEGCSA-N 0 3 359.382 2.431 20 5 FEBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000421715990 559550585 /nfs/dbraw/zinc/55/05/85/559550585.db2.gz ZKRZZIRABYJDPR-ZDUSSCGKSA-N 0 3 370.247 2.452 20 5 FEBDHN O=[N+]([O-])c1cc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081618 559618083 /nfs/dbraw/zinc/61/80/83/559618083.db2.gz DJMZHQFRFMHSML-LSDHHAIUSA-N 0 3 359.348 2.470 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000423956806 559647916 /nfs/dbraw/zinc/64/79/16/559647916.db2.gz CWUGIOMGNCCHFW-INIZCTEOSA-N 0 3 373.409 2.361 20 5 FEBDHN CC[C@]1(CO)CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000426465770 559735023 /nfs/dbraw/zinc/73/50/23/559735023.db2.gz BYDVGRIHDNFVSK-SFHVURJKSA-N 0 3 363.414 2.377 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC2CCCCC2)n1 ZINC000427818348 559763379 /nfs/dbraw/zinc/76/33/79/559763379.db2.gz HSBBZXLFTMWMEO-UHFFFAOYSA-N 0 3 351.451 2.395 20 5 FEBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000440511744 560013224 /nfs/dbraw/zinc/01/32/24/560013224.db2.gz ZMOQIUCDPHMVJO-IBGZPJMESA-N 0 3 373.384 2.101 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109466 560044228 /nfs/dbraw/zinc/04/42/28/560044228.db2.gz IOOCZSWKMQCUGI-HZSPNIEDSA-N 0 3 355.460 2.240 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000443712544 560090932 /nfs/dbraw/zinc/09/09/32/560090932.db2.gz WNYAADWRRLHNCC-KGLIPLIRSA-N 0 3 355.460 2.277 20 5 FEBDHN COc1cc(C(=O)NCc2ccc3c(c2)CNC3)cc([N+](=O)[O-])c1OC ZINC000444241507 560106486 /nfs/dbraw/zinc/10/64/86/560106486.db2.gz FNZWILUUXYJJNY-UHFFFAOYSA-N 0 3 357.366 2.145 20 5 FEBDHN CCO[C@H]1C[C@@](CO)(NCCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799709 560121022 /nfs/dbraw/zinc/12/10/22/560121022.db2.gz IHLZCTLFQUCWAD-WMZOPIPTSA-N 0 3 368.430 2.138 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H]1CN1CCCC1 ZINC000448831330 560201378 /nfs/dbraw/zinc/20/13/78/560201378.db2.gz QJLGJPRTYANJBU-INIZCTEOSA-N 0 3 369.425 2.481 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448958667 560208950 /nfs/dbraw/zinc/20/89/50/560208950.db2.gz ZPFDMFPLEWRHEO-OAHLLOKOSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1cc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508778 560232140 /nfs/dbraw/zinc/23/21/40/560232140.db2.gz NRFGAQKMLHKAQP-KDOFPFPSSA-N 0 3 350.415 2.499 20 5 FEBDHN COc1cc(CNC[C@@H](O)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449739923 560238549 /nfs/dbraw/zinc/23/85/49/560238549.db2.gz MPZUHNJEWQGTMB-CYBMUJFWSA-N 0 3 360.357 2.498 20 5 FEBDHN CC[C@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000450310180 560258033 /nfs/dbraw/zinc/25/80/33/560258033.db2.gz CPUTZIRHNOLZLG-KGLIPLIRSA-N 0 3 374.441 2.433 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489024 560310137 /nfs/dbraw/zinc/31/01/37/560310137.db2.gz JWNXWJZOOYIBOA-JCURWCKSSA-N 0 3 361.398 2.089 20 5 FEBDHN CN(Cc1ccccc1)C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000452725931 560372336 /nfs/dbraw/zinc/37/23/36/560372336.db2.gz FITXMGUKWAWGOZ-UHFFFAOYSA-N 0 3 371.441 2.352 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453045688 560382376 /nfs/dbraw/zinc/38/23/76/560382376.db2.gz ZIOFGMPYGPAZFV-COPLHBTASA-N 0 3 353.806 2.178 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453141987 560383718 /nfs/dbraw/zinc/38/37/18/560383718.db2.gz KEKPRXUHMUYTSC-QGZVFWFLSA-N 0 3 367.471 2.432 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525341 560692081 /nfs/dbraw/zinc/69/20/81/560692081.db2.gz IJVAUDFIYSNTEP-ZWKOTPCHSA-N 0 3 374.441 2.036 20 5 FEBDHN O=C(CNC1(CO)CCSCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459691742 560702423 /nfs/dbraw/zinc/70/24/23/560702423.db2.gz GQJJBGRKYWDLDC-UHFFFAOYSA-N 0 3 359.835 2.034 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461356535 560767956 /nfs/dbraw/zinc/76/79/56/560767956.db2.gz YYCNLMBVNGHVSB-INIZCTEOSA-N 0 3 362.430 2.373 20 5 FEBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCCN1C(=O)NC2(CCCC2)C1=O ZINC000468596098 560933645 /nfs/dbraw/zinc/93/36/45/560933645.db2.gz BGBSLGGGODVYOV-SDNWHVSQSA-N 0 3 372.425 2.452 20 5 FEBDHN COC(=O)c1cn([C@@H]2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208207 560976792 /nfs/dbraw/zinc/97/67/92/560976792.db2.gz GOTDCSGSXBEQNL-WDBUWWRISA-N 0 3 371.397 2.323 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016474 561063682 /nfs/dbraw/zinc/06/36/82/561063682.db2.gz YHSIUYYXBIQNTB-MSOLQXFVSA-N 0 3 364.398 2.194 20 5 FEBDHN CC(C)C(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000532920934 562492643 /nfs/dbraw/zinc/49/26/43/562492643.db2.gz VCSPAQXDKRKMDG-UHFFFAOYSA-N 0 3 362.430 2.160 20 5 FEBDHN CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534827182 562543376 /nfs/dbraw/zinc/54/33/76/562543376.db2.gz DERVLOIBOHXYSW-KGLIPLIRSA-N 0 3 355.485 2.191 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCCN2CCCC2)c1 ZINC000541760764 562619370 /nfs/dbraw/zinc/61/93/70/562619370.db2.gz OZZAZPHMUHQPMU-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN CCN1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568340978 568026413 /nfs/dbraw/zinc/02/64/13/568026413.db2.gz ZUYZVPQLMQGPHO-HNNXBMFYSA-N 0 3 359.430 2.402 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2COc3ccccc32)cc1 ZINC000569214565 568312597 /nfs/dbraw/zinc/31/25/97/568312597.db2.gz PGKMRYBVNRBVBJ-CYBMUJFWSA-N 0 3 362.407 2.134 20 5 FEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000570049865 568443582 /nfs/dbraw/zinc/44/35/82/568443582.db2.gz BLTDKIPFPREDLA-AWEZNQCLSA-N 0 3 357.476 2.177 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609489415 568490741 /nfs/dbraw/zinc/49/07/41/568490741.db2.gz KGGZEQKIQKUJPO-HNNXBMFYSA-N 0 3 357.414 2.385 20 5 FEBDHN CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736556068 599123916 /nfs/dbraw/zinc/12/39/16/599123916.db2.gz UVEANNXVTSXOEI-LBPRGKRZSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736556068 599123918 /nfs/dbraw/zinc/12/39/18/599123918.db2.gz UVEANNXVTSXOEI-LBPRGKRZSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556068 599123920 /nfs/dbraw/zinc/12/39/20/599123920.db2.gz UVEANNXVTSXOEI-LBPRGKRZSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556068 599123922 /nfs/dbraw/zinc/12/39/22/599123922.db2.gz UVEANNXVTSXOEI-LBPRGKRZSA-N 0 3 356.390 2.055 20 5 FEBDHN CC[NH+](CC)C[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180704 599498246 /nfs/dbraw/zinc/49/82/46/599498246.db2.gz GAXQXCBOZHMXBN-NSHDSACASA-N 0 3 370.417 2.465 20 5 FEBDHN CC[NH+](CC)C[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180704 599498249 /nfs/dbraw/zinc/49/82/49/599498249.db2.gz GAXQXCBOZHMXBN-NSHDSACASA-N 0 3 370.417 2.465 20 5 FEBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240101 606730801 /nfs/dbraw/zinc/73/08/01/606730801.db2.gz DXRVEBSVUJVGMY-ZUZCIYMTSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240101 606730802 /nfs/dbraw/zinc/73/08/02/606730802.db2.gz DXRVEBSVUJVGMY-ZUZCIYMTSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240101 606730804 /nfs/dbraw/zinc/73/08/04/606730804.db2.gz DXRVEBSVUJVGMY-ZUZCIYMTSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240101 606730806 /nfs/dbraw/zinc/73/08/06/606730806.db2.gz DXRVEBSVUJVGMY-ZUZCIYMTSA-N 0 3 368.401 2.075 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826499379 608531706 /nfs/dbraw/zinc/53/17/06/608531706.db2.gz GUXLGTLJWNHZIY-INIZCTEOSA-N 0 3 366.381 2.087 20 5 FEBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[N+](=O)[O-] ZINC000813106293 674720642 /nfs/dbraw/zinc/72/06/42/674720642.db2.gz ACTXIYOLRHYAFH-ZJUUUORDSA-N 0 3 352.334 2.087 20 5 FEBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1cccs1 ZINC000813110419 674720942 /nfs/dbraw/zinc/72/09/42/674720942.db2.gz ADHGJCWWQRGDJE-VIFPVBQESA-N 0 3 356.429 2.327 20 5 FEBDHN O=[N+]([O-])c1cccc(CCNCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000562992807 674832446 /nfs/dbraw/zinc/83/24/46/674832446.db2.gz YJSCYDCXGAPMMR-UHFFFAOYSA-N 0 3 352.387 2.340 20 5 FEBDHN COc1ncc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000565417363 675119847 /nfs/dbraw/zinc/11/98/47/675119847.db2.gz ROWLLVVLJPNAJN-LBPRGKRZSA-N 0 3 367.789 2.181 20 5 FEBDHN C[N@H+](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000104755392 670796057 /nfs/dbraw/zinc/79/60/57/670796057.db2.gz KMZHWOFXZXMXPU-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN C[N@@H+](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000104755392 670796064 /nfs/dbraw/zinc/79/60/64/670796064.db2.gz KMZHWOFXZXMXPU-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000817677850 675160550 /nfs/dbraw/zinc/16/05/50/675160550.db2.gz HXMUAKSRFPDNAF-NSHDSACASA-N 0 3 368.821 2.373 20 5 FEBDHN [NH3+]C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000583994145 672145577 /nfs/dbraw/zinc/14/55/77/672145577.db2.gz OFSRCJJDRAUHQE-XYPYZODXSA-N 0 3 361.851 2.292 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000590045991 672555954 /nfs/dbraw/zinc/55/59/54/672555954.db2.gz ZJDCEWQOQCNUPU-ZANVPECISA-N 0 3 354.204 2.133 20 5 FEBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447667 672583306 /nfs/dbraw/zinc/58/33/06/672583306.db2.gz ZCRQIEAYFWQJBQ-TVQRCGJNSA-N 0 3 354.204 2.133 20 5 FEBDHN CSC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132247 672762305 /nfs/dbraw/zinc/76/23/05/672762305.db2.gz DRYOJWLNKDHDMA-JYJNAYRXSA-N 0 3 354.472 2.424 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529477 672934835 /nfs/dbraw/zinc/93/48/35/672934835.db2.gz BRWXRNFMHXJOOY-OKILXGFUSA-N 0 3 370.475 2.026 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529477 672934838 /nfs/dbraw/zinc/93/48/38/672934838.db2.gz BRWXRNFMHXJOOY-OKILXGFUSA-N 0 3 370.475 2.026 20 5 FEBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534729 672936219 /nfs/dbraw/zinc/93/62/19/672936219.db2.gz RJWZHERYLZHWSD-VNHYZAJKSA-N 0 3 368.459 2.016 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027711 673022228 /nfs/dbraw/zinc/02/22/28/673022228.db2.gz YPWOIYUAUNUGIT-YJBOKZPZSA-N 0 3 350.415 2.368 20 5 FEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594770948 673136792 /nfs/dbraw/zinc/13/67/92/673136792.db2.gz LDFKIQGOBSSLAU-GFCCVEGCSA-N 0 3 366.443 2.152 20 5 FEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594775636 673138286 /nfs/dbraw/zinc/13/82/86/673138286.db2.gz FADLHSVMKNWOCR-GFCCVEGCSA-N 0 3 366.443 2.150 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594982968 673182865 /nfs/dbraw/zinc/18/28/65/673182865.db2.gz DGFFIQIUTQENNE-OCCSQVGLSA-N 0 3 352.387 2.194 20 5 FEBDHN COc1ccc(OCCN[C@@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000542881013 673612839 /nfs/dbraw/zinc/61/28/39/673612839.db2.gz JNDYAAIELZKANT-HNNXBMFYSA-N 0 3 350.346 2.445 20 5 FEBDHN Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000599072179 673631284 /nfs/dbraw/zinc/63/12/84/673631284.db2.gz DQFVMWFTJXUQJV-NWANDNLSSA-N 0 3 355.460 2.414 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000543673256 673660674 /nfs/dbraw/zinc/66/06/74/673660674.db2.gz MLWCEKATLYFQAF-GXTWGEPZSA-N 0 3 355.460 2.172 20 5 FEBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000599532951 673688949 /nfs/dbraw/zinc/68/89/49/673688949.db2.gz DVKIZFVUJCRWBO-GFCCVEGCSA-N 0 3 361.427 2.287 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601374104 673850847 /nfs/dbraw/zinc/85/08/47/673850847.db2.gz ALDZRYBPFOUKAD-NWDGAFQWSA-N 0 3 359.473 2.070 20 5 FEBDHN CN(C)CCCS(=O)(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000601428850 673860707 /nfs/dbraw/zinc/86/07/07/673860707.db2.gz GQDRHQHBAVIFGZ-OAHLLOKOSA-N 0 3 355.460 2.056 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1cccc(Br)c1 ZINC000602809132 673911112 /nfs/dbraw/zinc/91/11/12/673911112.db2.gz YVHQWYFAYFVXFW-CYBMUJFWSA-N 0 3 369.219 2.185 20 5 FEBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)c1 ZINC000747221505 673913404 /nfs/dbraw/zinc/91/34/04/673913404.db2.gz GBJDXFIQUGSUJZ-UHFFFAOYSA-N 0 3 353.394 2.291 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000567355120 675286763 /nfs/dbraw/zinc/28/67/63/675286763.db2.gz SRALLTAVKLKVOB-UHFFFAOYSA-N 0 3 363.336 2.264 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000827456387 675757336 /nfs/dbraw/zinc/75/73/36/675757336.db2.gz KBTMOZHLPUEBSX-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN CC(C)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000839720190 680774363 /nfs/dbraw/zinc/77/43/63/680774363.db2.gz IRWBHNVPGDLFSV-RAEVTNRLSA-N 0 3 353.369 2.270 20 5 FEBDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000752071839 680221906 /nfs/dbraw/zinc/22/19/06/680221906.db2.gz ZDJUJBLGONDEAY-OLZOCXBDSA-N 0 3 353.423 2.026 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cs1 ZINC000768864442 680962208 /nfs/dbraw/zinc/96/22/08/680962208.db2.gz RAHIECVLMXVRBV-SMDDNHRTSA-N 0 3 371.484 2.294 20 5 FEBDHN CC([C@H](OC(=O)CCCNC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873139 681158115 /nfs/dbraw/zinc/15/81/15/681158115.db2.gz BJZMIPFASUEWHE-ZBEGNZNMSA-N 0 3 352.362 2.382 20 5 FEBDHN CO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000845884361 681159221 /nfs/dbraw/zinc/15/92/21/681159221.db2.gz YCOUSNXKHHWWDV-LKTVYLICSA-N 0 3 351.334 2.196 20 5 FEBDHN C[C@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000934497895 681580159 /nfs/dbraw/zinc/58/01/59/681580159.db2.gz RZAHRDXLUIRYCT-CQSZACIVSA-N 0 3 369.219 2.051 20 5 FEBDHN CC([C@@H](OC(=O)c1nnn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000851108907 682017430 /nfs/dbraw/zinc/01/74/30/682017430.db2.gz RTWYCYKLSULYRY-BXKDBHETSA-N 0 3 351.338 2.131 20 5 FEBDHN Cc1c(C(=O)NCCN2CCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000783921468 682187166 /nfs/dbraw/zinc/18/71/66/682187166.db2.gz SFPRPHVINAKAMV-SNVBAGLBSA-N 0 3 350.375 2.334 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H]1CCN(CC)C1 ZINC000855490927 682676076 /nfs/dbraw/zinc/67/60/76/682676076.db2.gz MFQVBVNQQSITIY-LBPRGKRZSA-N 0 3 352.410 2.356 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000866863666 684170210 /nfs/dbraw/zinc/17/02/10/684170210.db2.gz RWQRKONUMXBTIT-GXTWGEPZSA-N 0 3 373.450 2.393 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1F ZINC000866985658 684191408 /nfs/dbraw/zinc/19/14/08/684191408.db2.gz KBRRPOSEHZSREH-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874829714 685677563 /nfs/dbraw/zinc/67/75/63/685677563.db2.gz NANJODXHBXUFSF-KBPBESRZSA-N 0 3 350.394 2.109 20 5 FEBDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481812 686387598 /nfs/dbraw/zinc/38/75/98/686387598.db2.gz SXRAFDXKZMTDTP-HZPDHXFCSA-N 0 3 352.431 2.057 20 5 FEBDHN O=C1NCCC12CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000877783173 686457053 /nfs/dbraw/zinc/45/70/53/686457053.db2.gz HWKSREKJXUPGHV-UHFFFAOYSA-N 0 3 368.231 2.459 20 5 FEBDHN CN1C[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000878640327 686625962 /nfs/dbraw/zinc/62/59/62/686625962.db2.gz HNAWTDCZYBDONJ-YGRLFVJLSA-N 0 3 363.805 2.434 20 5 FEBDHN CCCN(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879307702 686792201 /nfs/dbraw/zinc/79/22/01/686792201.db2.gz BMBUZXIFKSJGDN-UHFFFAOYSA-N 0 3 351.403 2.170 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478462 687642557 /nfs/dbraw/zinc/64/25/57/687642557.db2.gz KRUAMVAKABMRCH-UHFFFAOYSA-N 0 3 353.444 2.064 20 5 FEBDHN CN(C)[C@@]1(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCSC1 ZINC000892796145 689245124 /nfs/dbraw/zinc/24/51/24/689245124.db2.gz IDMJRDCEMGUEQR-QGZVFWFLSA-N 0 3 362.455 2.296 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000893304070 689328808 /nfs/dbraw/zinc/32/88/08/689328808.db2.gz KBCNSJMMSCVRPL-DZGCQCFKSA-N 0 3 374.846 2.074 20 5 FEBDHN COC(=O)[C@@]1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895705790 689757703 /nfs/dbraw/zinc/75/77/03/689757703.db2.gz BPNXAQCUTGWLGW-QGZVFWFLSA-N 0 3 362.407 2.433 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903216561 690868289 /nfs/dbraw/zinc/86/82/89/690868289.db2.gz DCTCHJKZQRYSCP-ZIAGYGMSSA-N 0 3 357.204 2.395 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(CC3CCOCC3)C2)c1 ZINC000905976293 691204534 /nfs/dbraw/zinc/20/45/34/691204534.db2.gz ABLVFXVRXZLMDB-QGZVFWFLSA-N 0 3 350.415 2.083 20 5 FEBDHN CCN1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910295116 691912792 /nfs/dbraw/zinc/91/27/92/691912792.db2.gz VBXONQGDBYGFET-LBPRGKRZSA-N 0 3 351.403 2.168 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486981571 888547655 /nfs/dbraw/zinc/54/76/55/888547655.db2.gz OJAHGTBIGBPMBI-ZDUSSCGKSA-N 0 3 360.418 2.083 20 5 FEBDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041660721 540029738 /nfs/dbraw/zinc/02/97/38/540029738.db2.gz LRKVGMMVHWGNOT-UHFFFAOYSA-N 0 3 368.821 2.035 20 5 FEBDHN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000047213296 540297216 /nfs/dbraw/zinc/29/72/16/540297216.db2.gz ZHPORMUHSNDKGG-KGLIPLIRSA-N 0 3 372.429 2.026 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000048716912 540371442 /nfs/dbraw/zinc/37/14/42/540371442.db2.gz VXEIXXMZXQJECK-ZDUSSCGKSA-N 0 3 354.428 2.219 20 5 FEBDHN NC(=O)c1ccc(CN2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000049982000 540395869 /nfs/dbraw/zinc/39/58/69/540395869.db2.gz VKEMJNICYVJYHP-UHFFFAOYSA-N 0 3 360.458 2.392 20 5 FEBDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051735961 540442232 /nfs/dbraw/zinc/44/22/32/540442232.db2.gz AEJFSSHNWOPUEN-CYBMUJFWSA-N 0 3 363.439 2.478 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000055245881 540639839 /nfs/dbraw/zinc/63/98/39/540639839.db2.gz NFRRFASIAMTKBM-UHFFFAOYSA-N 0 3 353.444 2.152 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000056890532 540753615 /nfs/dbraw/zinc/75/36/15/540753615.db2.gz OJJLWXOBOBTVOC-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN CCN1CCN(Cc2ccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])cc2)CC1 ZINC000064336701 541202029 /nfs/dbraw/zinc/20/20/29/541202029.db2.gz QZWGQDZNUFETQA-UHFFFAOYSA-N 0 3 372.429 2.016 20 5 FEBDHN CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065971492 541275179 /nfs/dbraw/zinc/27/51/79/541275179.db2.gz AOSNDXWVRUATDA-UHFFFAOYSA-N 0 3 355.460 2.480 20 5 FEBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068218032 541564949 /nfs/dbraw/zinc/56/49/49/541564949.db2.gz BDDOXQWXVAVBNO-MRXNPFEDSA-N 0 3 356.426 2.296 20 5 FEBDHN COc1ccc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000071826306 541773607 /nfs/dbraw/zinc/77/36/07/541773607.db2.gz UHVKHJWXRQPIGE-ZDUSSCGKSA-N 0 3 371.459 2.146 20 5 FEBDHN CN(CC1CC1)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000074772695 542120047 /nfs/dbraw/zinc/12/00/47/542120047.db2.gz PHQROJPXJVTRFQ-AWEZNQCLSA-N 0 3 367.471 2.166 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000075604327 542192300 /nfs/dbraw/zinc/19/23/00/542192300.db2.gz ZYVNYXANJXDDRA-UHFFFAOYSA-N 0 3 357.414 2.337 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000075641219 542194986 /nfs/dbraw/zinc/19/49/86/542194986.db2.gz AFNILJCURUDGKD-MRXNPFEDSA-N 0 3 350.806 2.470 20 5 FEBDHN Cc1c(C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000077450228 542383584 /nfs/dbraw/zinc/38/35/84/542383584.db2.gz GSHUTCWQQKMIMH-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN CC[C@@H](CO)N1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000078524692 542466271 /nfs/dbraw/zinc/46/62/71/542466271.db2.gz QBGBGWDHUUAEJQ-INIZCTEOSA-N 0 3 371.441 2.253 20 5 FEBDHN CCN(CC)[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078576679 542468969 /nfs/dbraw/zinc/46/89/69/542468969.db2.gz NGVRLRWFBNOGRB-HNNXBMFYSA-N 0 3 371.441 2.480 20 5 FEBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN1CCc1ccccc1 ZINC000079721222 542538418 /nfs/dbraw/zinc/53/84/18/542538418.db2.gz RXQKBYCXOGQEKR-QGZVFWFLSA-N 0 3 371.441 2.005 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000080818294 542610582 /nfs/dbraw/zinc/61/05/82/542610582.db2.gz IIQAALNNHQFATD-UHFFFAOYSA-N 0 3 369.425 2.285 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOCC1CC1 ZINC000088600731 542755005 /nfs/dbraw/zinc/75/50/05/542755005.db2.gz HXDQMHRDGKAOIG-UHFFFAOYSA-N 0 3 351.403 2.290 20 5 FEBDHN COCCOC[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093754128 542939609 /nfs/dbraw/zinc/93/96/09/542939609.db2.gz ZEPYYQVRGHQTFX-HNNXBMFYSA-N 0 3 374.441 2.480 20 5 FEBDHN Cc1nn(CCC(=O)NCc2cccc(CN(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000102330065 543064964 /nfs/dbraw/zinc/06/49/64/543064964.db2.gz HDCDBXVMRZCHNX-UHFFFAOYSA-N 0 3 359.430 2.176 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104529821 543134110 /nfs/dbraw/zinc/13/41/10/543134110.db2.gz HVGQXNOKAVMOFW-UHFFFAOYSA-N 0 3 359.430 2.440 20 5 FEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN1c1cccnn1 ZINC000106086125 543193060 /nfs/dbraw/zinc/19/30/60/543193060.db2.gz JURANBVKTGJCKV-HNNXBMFYSA-N 0 3 357.414 2.364 20 5 FEBDHN Cn1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108306060 543285720 /nfs/dbraw/zinc/28/57/20/543285720.db2.gz FVDFJCPBDBLDFD-HNNXBMFYSA-N 0 3 369.425 2.209 20 5 FEBDHN COc1ccc(CSCC(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108342758 543287159 /nfs/dbraw/zinc/28/71/59/543287159.db2.gz WCYKMBLSNDVEIP-CQSZACIVSA-N 0 3 367.471 2.295 20 5 FEBDHN CN1CCN(CC2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000110014324 543346561 /nfs/dbraw/zinc/34/65/61/543346561.db2.gz IQRPTANWEIGGGU-AATRIKPKSA-N 0 3 372.469 2.094 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1C ZINC000115585876 543576218 /nfs/dbraw/zinc/57/62/18/543576218.db2.gz VKQRQUJFNNAXEZ-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN Cn1cc(CNCCOC[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115625531 543578632 /nfs/dbraw/zinc/57/86/32/543578632.db2.gz QQVAKVGNSZMILZ-KRWDZBQOSA-N 0 3 360.414 2.281 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116064203 543597318 /nfs/dbraw/zinc/59/73/18/543597318.db2.gz YOKIRNPAVHOPRI-AWEZNQCLSA-N 0 3 371.441 2.442 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869082 543728721 /nfs/dbraw/zinc/72/87/21/543728721.db2.gz KJLSRYHFMVEZOK-VXGBXAGGSA-N 0 3 351.403 2.167 20 5 FEBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000128834077 544075376 /nfs/dbraw/zinc/07/53/76/544075376.db2.gz FCJZHNCJSICJHB-UHFFFAOYSA-N 0 3 370.409 2.299 20 5 FEBDHN CCCN1CCC(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131080428 544176301 /nfs/dbraw/zinc/17/63/01/544176301.db2.gz UKFQZVUDUNTMIT-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000132273109 544225061 /nfs/dbraw/zinc/22/50/61/544225061.db2.gz URUODEQLOLFBLO-DOTOQJQBSA-N 0 3 371.441 2.303 20 5 FEBDHN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCN(C2CC2)CC1 ZINC000135240742 544338793 /nfs/dbraw/zinc/33/87/93/544338793.db2.gz ZZGDSIMBZWPVBL-UHFFFAOYSA-N 0 3 372.469 2.302 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000146240660 544438359 /nfs/dbraw/zinc/43/83/59/544438359.db2.gz HADLJKCREMWJOI-OAHLLOKOSA-N 0 3 353.444 2.152 20 5 FEBDHN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1[C@H](C)CC[C@@H]1C ZINC000247516491 549348522 /nfs/dbraw/zinc/34/85/22/549348522.db2.gz ZMAWSPILFPVGSO-LXTVHRRPSA-N 0 3 361.446 2.264 20 5 FEBDHN CN(CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000152485755 544660224 /nfs/dbraw/zinc/66/02/24/544660224.db2.gz YVBFESVDUFUCMZ-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000179923778 327664814 /nfs/dbraw/zinc/66/48/14/327664814.db2.gz MEWINBVXLPPZFL-OAHLLOKOSA-N 0 3 357.366 2.356 20 5 FEBDHN CCOC(=O)N1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000185790363 327932941 /nfs/dbraw/zinc/93/29/41/327932941.db2.gz GPJSQAYJDXHDPH-OAHLLOKOSA-N 0 3 373.413 2.316 20 5 FEBDHN COCCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000188823688 328112853 /nfs/dbraw/zinc/11/28/53/328112853.db2.gz QKBHXWTYDKBPFO-QGZVFWFLSA-N 0 3 360.414 2.233 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000189145575 328131101 /nfs/dbraw/zinc/13/11/01/328131101.db2.gz YWMRNZBJVUMNFA-HUUCEWRRSA-N 0 3 369.487 2.177 20 5 FEBDHN COc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000191279586 328258104 /nfs/dbraw/zinc/25/81/04/328258104.db2.gz CKTFSSZMCKMWPA-HNNXBMFYSA-N 0 3 365.430 2.095 20 5 FEBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000191952265 328290225 /nfs/dbraw/zinc/29/02/25/328290225.db2.gz USBGMWTWQWLKOG-UHFFFAOYSA-N 0 3 372.425 2.390 20 5 FEBDHN COCc1nc2n(n1)C[C@@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019714 328352449 /nfs/dbraw/zinc/35/24/49/328352449.db2.gz CHHNQOZLOFMRIV-BBRMVZONSA-N 0 3 357.414 2.315 20 5 FEBDHN COCc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019682 328352548 /nfs/dbraw/zinc/35/25/48/328352548.db2.gz CHHNQOZLOFMRIV-XJKSGUPXSA-N 0 3 357.414 2.315 20 5 FEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236853089 328496362 /nfs/dbraw/zinc/49/63/62/328496362.db2.gz DJVAIQBRESHYAH-UHFFFAOYSA-N 0 3 369.365 2.409 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)[C@H]1CCCc2ccccc21 ZINC000090554322 325363516 /nfs/dbraw/zinc/36/35/16/325363516.db2.gz RKLPGJPAVFDEFK-SFHVURJKSA-N 0 3 357.410 2.128 20 5 FEBDHN O=C(CCN1CCCN(CC(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000091082687 325373176 /nfs/dbraw/zinc/37/31/76/325373176.db2.gz RGCXOLIBYGCEMJ-UHFFFAOYSA-N 0 3 356.373 2.196 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000105326012 325565559 /nfs/dbraw/zinc/56/55/59/325565559.db2.gz CKODQCZIZZOLSC-JTQLQIEISA-N 0 3 373.356 2.371 20 5 FEBDHN CCc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)N(C)C)cc1 ZINC000109220019 325662212 /nfs/dbraw/zinc/66/22/12/325662212.db2.gz CEDFLQLFKHUIOG-QGZVFWFLSA-N 0 3 373.457 2.471 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111563415 325725136 /nfs/dbraw/zinc/72/51/36/325725136.db2.gz BNYOKAIUMCXFFW-LBPRGKRZSA-N 0 3 358.398 2.041 20 5 FEBDHN Cc1nn(CCC(=O)NCC(C)(C)N2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000116651909 326028728 /nfs/dbraw/zinc/02/87/28/326028728.db2.gz QXNLKNQHPZSBIC-UHFFFAOYSA-N 0 3 351.451 2.179 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC(n3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000120597747 326271769 /nfs/dbraw/zinc/27/17/69/326271769.db2.gz SNJDZQHFVFWLAN-UHFFFAOYSA-N 0 3 358.402 2.160 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1C ZINC000120642554 326275537 /nfs/dbraw/zinc/27/55/37/326275537.db2.gz CVHNZUROXVVFND-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000122364442 326393896 /nfs/dbraw/zinc/39/38/96/326393896.db2.gz JIXLWIPEQMXRKN-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122473904 326398315 /nfs/dbraw/zinc/39/83/15/326398315.db2.gz PRHJGLOBTPZFEA-YPMHNXCESA-N 0 3 373.862 2.353 20 5 FEBDHN CCOC(=O)c1ccnc(N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000135496676 326642546 /nfs/dbraw/zinc/64/25/46/326642546.db2.gz IUFSYXARWYZOKU-UHFFFAOYSA-N 0 3 373.413 2.130 20 5 FEBDHN CC(C)(C)c1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000136128476 326650221 /nfs/dbraw/zinc/65/02/21/326650221.db2.gz DTSPQLZYXQNFEP-UHFFFAOYSA-N 0 3 363.458 2.469 20 5 FEBDHN Cn1cc(CNCCn2cnnc2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000156223808 326822651 /nfs/dbraw/zinc/82/26/51/326822651.db2.gz IDQAETDJEHVJPA-UHFFFAOYSA-N 0 3 367.413 2.254 20 5 FEBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000165996516 327080292 /nfs/dbraw/zinc/08/02/92/327080292.db2.gz PBPNEUYBMKKMQE-UHFFFAOYSA-N 0 3 371.441 2.109 20 5 FEBDHN CCOC(=O)c1ccnc(N(C)[C@H]2CCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000172765173 327217855 /nfs/dbraw/zinc/21/78/55/327217855.db2.gz NDFKZJGFDVVUBT-OCCSQVGLSA-N 0 3 350.419 2.333 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295175 327248120 /nfs/dbraw/zinc/24/81/20/327248120.db2.gz UZTLRQJBCXIIKC-QZEKMECESA-N 0 3 372.469 2.237 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)s1 ZINC000173627047 327271982 /nfs/dbraw/zinc/27/19/82/327271982.db2.gz LJRPNKVPGZCXRW-LBPRGKRZSA-N 0 3 359.473 2.153 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000173665895 327274895 /nfs/dbraw/zinc/27/48/95/327274895.db2.gz SERFDKRTWFKFKR-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN COCCN1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175452438 327393643 /nfs/dbraw/zinc/39/36/43/327393643.db2.gz XIJSSXQPFNPHQX-UHFFFAOYSA-N 0 3 364.446 2.240 20 5 FEBDHN COc1cc(CCNC(=O)[C@@H](CN)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178348519 327579790 /nfs/dbraw/zinc/57/97/90/327579790.db2.gz WKNAMRNJUCRBFN-HNNXBMFYSA-N 0 3 373.409 2.013 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)cc1C ZINC000262238522 328853627 /nfs/dbraw/zinc/85/36/27/328853627.db2.gz OWLQCCIHHLCNCW-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265951239 329175853 /nfs/dbraw/zinc/17/58/53/329175853.db2.gz MQBOSZCTGGGRHW-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000266132767 329193444 /nfs/dbraw/zinc/19/34/44/329193444.db2.gz BGSZJKZAYRMILU-CYBMUJFWSA-N 0 3 371.434 2.230 20 5 FEBDHN CN1CCC[C@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266701902 329250917 /nfs/dbraw/zinc/25/09/17/329250917.db2.gz GPKMTTCMRJBJOK-HNNXBMFYSA-N 0 3 362.430 2.242 20 5 FEBDHN C[C@@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183587 329300215 /nfs/dbraw/zinc/30/02/15/329300215.db2.gz NGSQBHMYAGXUAP-WBMJQRKESA-N 0 3 352.460 2.392 20 5 FEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272142785 329755366 /nfs/dbraw/zinc/75/53/66/329755366.db2.gz DSRXFTQWXSRTSE-JTQLQIEISA-N 0 3 363.443 2.402 20 5 FEBDHN CCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000367052262 330211634 /nfs/dbraw/zinc/21/16/34/330211634.db2.gz JKFHLWPDPWSNIP-QAPCUYQASA-N 0 3 374.485 2.255 20 5 FEBDHN COC(=O)c1cnc(NC[C@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000478294682 561163846 /nfs/dbraw/zinc/16/38/46/561163846.db2.gz WAPIHDBSMZVHCJ-HNNXBMFYSA-N 0 3 358.398 2.361 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000478435702 561166784 /nfs/dbraw/zinc/16/67/84/561166784.db2.gz DHHWMONEELLRNV-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000478466585 561167685 /nfs/dbraw/zinc/16/76/85/561167685.db2.gz DOSPJJNRQBGJNL-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000161308568 546119062 /nfs/dbraw/zinc/11/90/62/546119062.db2.gz VLHZJRTWYZQBLX-ZBFHGGJFSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N(C)CCN(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000480082519 561202700 /nfs/dbraw/zinc/20/27/00/561202700.db2.gz FBTVNONKTAFWTN-UHFFFAOYSA-N 0 3 359.430 2.090 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176265934 546425893 /nfs/dbraw/zinc/42/58/93/546425893.db2.gz KRAPYQUKVNYWTN-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031970 546527709 /nfs/dbraw/zinc/52/77/09/546527709.db2.gz OYHZJRNWPGENOF-FZMZJTMJSA-N 0 3 361.398 2.127 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000480854664 561218331 /nfs/dbraw/zinc/21/83/31/561218331.db2.gz ONSLHWDRQPCNMS-UONOGXRCSA-N 0 3 353.444 2.008 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCc3ccccc32)cc1 ZINC000177999848 546720199 /nfs/dbraw/zinc/72/01/99/546720199.db2.gz DQCGFHSEGRFVLP-QGZVFWFLSA-N 0 3 361.423 2.150 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000178382069 546784323 /nfs/dbraw/zinc/78/43/23/546784323.db2.gz PWWAVRUBSSOGIY-CZUORRHYSA-N 0 3 353.444 2.008 20 5 FEBDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745293 561240682 /nfs/dbraw/zinc/24/06/82/561240682.db2.gz CHFYAHMSRNZIFD-GDBMZVCRSA-N 0 3 352.387 2.016 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862771 547022782 /nfs/dbraw/zinc/02/27/82/547022782.db2.gz LDXHJCCHBOIFLR-VXGBXAGGSA-N 0 3 351.403 2.335 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180163223 547060789 /nfs/dbraw/zinc/06/07/89/547060789.db2.gz WRMVCACAYVZOOC-MAUKXSAKSA-N 0 3 357.414 2.051 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181290289 547288235 /nfs/dbraw/zinc/28/82/35/547288235.db2.gz MKPAMSZZBLIWES-OAHLLOKOSA-N 0 3 367.413 2.456 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000181958904 547413111 /nfs/dbraw/zinc/41/31/11/547413111.db2.gz KMELUXVLZOCLBA-FUHWJXTLSA-N 0 3 372.421 2.316 20 5 FEBDHN CCCCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000183027086 547589303 /nfs/dbraw/zinc/58/93/03/547589303.db2.gz NULAWHIZSPQDEM-UHFFFAOYSA-N 0 3 350.419 2.209 20 5 FEBDHN C[C@@H](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000183295201 547633956 /nfs/dbraw/zinc/63/39/56/547633956.db2.gz XOGMVJVBGRMFDM-HNNXBMFYSA-N 0 3 369.487 2.321 20 5 FEBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183615714 547689728 /nfs/dbraw/zinc/68/97/28/547689728.db2.gz ZMALTTMRPJYYNA-UHFFFAOYSA-N 0 3 357.414 2.212 20 5 FEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638221 561301922 /nfs/dbraw/zinc/30/19/22/561301922.db2.gz XAZZDBDBYKJAFM-JGGQBBKZSA-N 0 3 351.403 2.014 20 5 FEBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184937483 547903151 /nfs/dbraw/zinc/90/31/51/547903151.db2.gz LJLPMJDOVPXTCU-OAHLLOKOSA-N 0 3 369.425 2.166 20 5 FEBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000185875315 548049645 /nfs/dbraw/zinc/04/96/45/548049645.db2.gz AXNMYRVICCMXRR-OAHLLOKOSA-N 0 3 362.817 2.346 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186941317 548225568 /nfs/dbraw/zinc/22/55/68/548225568.db2.gz XKRYEBJHXWHRMX-ZDUSSCGKSA-N 0 3 364.446 2.347 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000227206666 548750155 /nfs/dbraw/zinc/75/01/55/548750155.db2.gz VCKSCLDFEYQHHL-CHWSQXEVSA-N 0 3 363.414 2.232 20 5 FEBDHN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)NC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237660929 548842726 /nfs/dbraw/zinc/84/27/26/548842726.db2.gz FBWLIZNPAJRMSX-CHWSQXEVSA-N 0 3 371.441 2.279 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000245778268 548993397 /nfs/dbraw/zinc/99/33/97/548993397.db2.gz QCDVQPQMTCYAHY-DCDXPUDHSA-N 0 3 363.414 2.478 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246115727 549055897 /nfs/dbraw/zinc/05/58/97/549055897.db2.gz IQGROOFXCAQVST-GXTWGEPZSA-N 0 3 355.460 2.254 20 5 FEBDHN CN1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000247156364 549292619 /nfs/dbraw/zinc/29/26/19/549292619.db2.gz AHQDDULAWOOVJR-WBMJQRKESA-N 0 3 363.443 2.052 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000247217244 549300555 /nfs/dbraw/zinc/30/05/55/549300555.db2.gz XJMNXUDVPWQHNL-DZGCQCFKSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000247307281 549315441 /nfs/dbraw/zinc/31/54/41/549315441.db2.gz QFWBOVPZEVXOOU-SWLSCSKDSA-N 0 3 351.378 2.055 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000247318675 549316753 /nfs/dbraw/zinc/31/67/53/549316753.db2.gz INVRBEHLYQWUNK-ZIAGYGMSSA-N 0 3 355.460 2.135 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247981755 549397530 /nfs/dbraw/zinc/39/75/30/549397530.db2.gz HEVLZXVFGJAXCV-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000248825518 549508087 /nfs/dbraw/zinc/50/80/87/549508087.db2.gz XBIFHGIYYFPQBV-VXGBXAGGSA-N 0 3 350.341 2.063 20 5 FEBDHN CCCc1[nH]nc(C(=O)[N-]c2ncc(C3CC[NH2+]CC3)s2)c1[N+](=O)[O-] ZINC000262147285 549792633 /nfs/dbraw/zinc/79/26/33/549792633.db2.gz YNTBOGCGZVYLJC-UHFFFAOYSA-N 0 3 364.431 2.446 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268535770 550083399 /nfs/dbraw/zinc/08/33/99/550083399.db2.gz JSMUYENHMAJPRP-KRWDZBQOSA-N 0 3 371.441 2.223 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000270619527 550289819 /nfs/dbraw/zinc/28/98/19/550289819.db2.gz DBWNPUJNGVRXOO-ZIAGYGMSSA-N 0 3 372.878 2.164 20 5 FEBDHN CCN1CCN(CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270820910 550310550 /nfs/dbraw/zinc/31/05/50/550310550.db2.gz REGKMGIMSDQNCH-UHFFFAOYSA-N 0 3 368.865 2.396 20 5 FEBDHN O=C1CCCN1[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000270864982 550315225 /nfs/dbraw/zinc/31/52/25/550315225.db2.gz INJXSPWPSZCONK-MRXNPFEDSA-N 0 3 370.409 2.489 20 5 FEBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCSC1 ZINC000270973608 550327488 /nfs/dbraw/zinc/32/74/88/550327488.db2.gz KDMRQDQKERJDLI-QGZVFWFLSA-N 0 3 360.439 2.310 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000271433944 550375348 /nfs/dbraw/zinc/37/53/48/550375348.db2.gz SCITVNPMFGOUJG-ZBFHGGJFSA-N 0 3 371.441 2.453 20 5 FEBDHN CN1CC=C(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000271986888 550414994 /nfs/dbraw/zinc/41/49/94/550414994.db2.gz PGINJKBYUMGRSW-UHFFFAOYSA-N 0 3 354.204 2.349 20 5 FEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000272177241 550427346 /nfs/dbraw/zinc/42/73/46/550427346.db2.gz JNODGUPJOCATIK-KBXCAEBGSA-N 0 3 358.442 2.361 20 5 FEBDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000272714517 550466475 /nfs/dbraw/zinc/46/64/75/550466475.db2.gz LGLSOOMVSSLLFI-UHFFFAOYSA-N 0 3 373.413 2.294 20 5 FEBDHN Cc1cc(NC[C@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272862491 550474149 /nfs/dbraw/zinc/47/41/49/550474149.db2.gz QSVXESISPOGDBD-GFCCVEGCSA-N 0 3 364.427 2.145 20 5 FEBDHN COc1ccc(OCCN2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 ZINC000273034359 550481624 /nfs/dbraw/zinc/48/16/24/550481624.db2.gz COUUBBKXGHGRIG-CQSZACIVSA-N 0 3 366.414 2.457 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089800 550522465 /nfs/dbraw/zinc/52/24/65/550522465.db2.gz TYLLEFYHHNQXAG-ZJUUUORDSA-N 0 3 357.794 2.364 20 5 FEBDHN Cc1ccsc1[C@@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637509 561473008 /nfs/dbraw/zinc/47/30/08/561473008.db2.gz OVLIGOXUULXBQG-UKRRQHHQSA-N 0 3 352.412 2.028 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000277004878 550620869 /nfs/dbraw/zinc/62/08/69/550620869.db2.gz ABWSWVWNPFLALI-CYBMUJFWSA-N 0 3 354.426 2.428 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000277044304 550625415 /nfs/dbraw/zinc/62/54/15/550625415.db2.gz HOSZDURRGSGGLT-ZBFHGGJFSA-N 0 3 365.455 2.255 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074426 550628925 /nfs/dbraw/zinc/62/89/25/550628925.db2.gz SWAIDEJKGXFPEI-GDBMZVCRSA-N 0 3 358.442 2.408 20 5 FEBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277482057 550676113 /nfs/dbraw/zinc/67/61/13/550676113.db2.gz IUNHTOILYIGZME-ZDUSSCGKSA-N 0 3 363.414 2.359 20 5 FEBDHN COc1cc(OCC(=O)NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000277545358 550682734 /nfs/dbraw/zinc/68/27/34/550682734.db2.gz NRGYKSFZUFGQOR-AWEZNQCLSA-N 0 3 363.414 2.115 20 5 FEBDHN CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000278314465 550771869 /nfs/dbraw/zinc/77/18/69/550771869.db2.gz HKBNUDNABJBVTG-QWRGUYRKSA-N 0 3 350.366 2.490 20 5 FEBDHN COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279113272 550855352 /nfs/dbraw/zinc/85/53/52/550855352.db2.gz SWZITRSTBDWLOR-GOEBONIOSA-N 0 3 351.403 2.015 20 5 FEBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000281643823 551124944 /nfs/dbraw/zinc/12/49/44/551124944.db2.gz AWEJJALMHSINMR-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)n1 ZINC000282868081 551279683 /nfs/dbraw/zinc/27/96/83/551279683.db2.gz VZJNNAMXFQJZDT-MRXNPFEDSA-N 0 3 371.441 2.359 20 5 FEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000284813110 551640440 /nfs/dbraw/zinc/64/04/40/551640440.db2.gz NTIHLFVDOSANCX-OAHLLOKOSA-N 0 3 359.386 2.423 20 5 FEBDHN CN1CCC2(CC1)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1O2 ZINC000284948740 551674785 /nfs/dbraw/zinc/67/47/85/551674785.db2.gz ADRZWYDGYBXELM-AWEZNQCLSA-N 0 3 371.397 2.036 20 5 FEBDHN CCOC1CC2(C1)CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000285418663 551753349 /nfs/dbraw/zinc/75/33/49/551753349.db2.gz GLGYRXRFIOMPNK-SYJJWHGVSA-N 0 3 350.415 2.226 20 5 FEBDHN COc1ccc(NC(=O)CN2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000285759679 551806485 /nfs/dbraw/zinc/80/64/85/551806485.db2.gz ZJFPMLLLHKZVLM-ZIAGYGMSSA-N 0 3 362.430 2.101 20 5 FEBDHN C[C@@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000286314468 551872799 /nfs/dbraw/zinc/87/27/99/551872799.db2.gz CZTDKHYNGVJHNR-AWEZNQCLSA-N 0 3 369.219 2.051 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286878491 551935978 /nfs/dbraw/zinc/93/59/78/551935978.db2.gz ZEAMPPSDYLREAW-CJNGLKHVSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394427 551998401 /nfs/dbraw/zinc/99/84/01/551998401.db2.gz YLPAMGUJVUOIHT-KSSFIOAISA-N 0 3 369.425 2.479 20 5 FEBDHN CCCN(CC)CCNC(=O)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000288122436 552095061 /nfs/dbraw/zinc/09/50/61/552095061.db2.gz JIEFZCWZLVPCHJ-INIZCTEOSA-N 0 3 364.446 2.010 20 5 FEBDHN COC(=O)c1cc(NC(=O)N2CCN(C)CC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000499828965 561559398 /nfs/dbraw/zinc/55/93/98/561559398.db2.gz NNVBVNPYDXDEDT-NSHDSACASA-N 0 3 364.402 2.248 20 5 FEBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000500176531 561567354 /nfs/dbraw/zinc/56/73/54/561567354.db2.gz FRIIURODLJKDMT-WMLDXEAASA-N 0 3 374.445 2.090 20 5 FEBDHN CCc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000290542126 552495583 /nfs/dbraw/zinc/49/55/83/552495583.db2.gz PHQBKPRZYLMGGQ-OAHLLOKOSA-N 0 3 357.414 2.366 20 5 FEBDHN NC(=O)c1ccnc(NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290720254 552525783 /nfs/dbraw/zinc/52/57/83/552525783.db2.gz YSFDGVUVUWHYDT-AWEZNQCLSA-N 0 3 355.398 2.165 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000290892012 552556778 /nfs/dbraw/zinc/55/67/78/552556778.db2.gz UYWFBSGEBXCERG-OAHLLOKOSA-N 0 3 362.430 2.086 20 5 FEBDHN CC(C)(NC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292078783 552691412 /nfs/dbraw/zinc/69/14/12/552691412.db2.gz FLVSQXFTFKTOBN-ZDUSSCGKSA-N 0 3 355.460 2.091 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000293042701 552783540 /nfs/dbraw/zinc/78/35/40/552783540.db2.gz MGXUXTQORRHEIZ-KRWDZBQOSA-N 0 3 365.430 2.319 20 5 FEBDHN CC(C)(CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[N+](=O)[O-] ZINC000294940697 552945770 /nfs/dbraw/zinc/94/57/70/552945770.db2.gz MNTDWHLUOGUBHJ-UHFFFAOYSA-N 0 3 363.458 2.095 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295043749 552953720 /nfs/dbraw/zinc/95/37/20/552953720.db2.gz GDJFRZFPUXASCX-CYBMUJFWSA-N 0 3 368.865 2.252 20 5 FEBDHN COc1cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000295156463 552964450 /nfs/dbraw/zinc/96/44/50/552964450.db2.gz RSEGIIBXTDOAAM-UHFFFAOYSA-N 0 3 372.443 2.002 20 5 FEBDHN C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000296620792 553188355 /nfs/dbraw/zinc/18/83/55/553188355.db2.gz ZFBFASPGTOAEOE-BLLLJJGKSA-N 0 3 352.460 2.392 20 5 FEBDHN COc1cc(C(=O)NC2CCN(C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000297254207 553269553 /nfs/dbraw/zinc/26/95/53/553269553.db2.gz UEJFIZLLXLLLHH-UHFFFAOYSA-N 0 3 351.378 2.489 20 5 FEBDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C ZINC000297841667 553345750 /nfs/dbraw/zinc/34/57/50/553345750.db2.gz KNRPNDPMNJHODY-NSHDSACASA-N 0 3 370.837 2.279 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298002994 553369379 /nfs/dbraw/zinc/36/93/79/553369379.db2.gz YCKUKSMDLGZIJK-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298047554 553376990 /nfs/dbraw/zinc/37/69/90/553376990.db2.gz HMKAAMBDZWMUEY-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000298797505 553474436 /nfs/dbraw/zinc/47/44/36/553474436.db2.gz DRXODPMQDVISRE-GJZGRUSLSA-N 0 3 374.441 2.235 20 5 FEBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000298979492 553498412 /nfs/dbraw/zinc/49/84/12/553498412.db2.gz JDRYRVBYGOKCRG-UHFFFAOYSA-N 0 3 359.423 2.227 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194560 553528451 /nfs/dbraw/zinc/52/84/51/553528451.db2.gz DJQSJPCQLQLUGT-CYBMUJFWSA-N 0 3 374.441 2.175 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000299536151 553577649 /nfs/dbraw/zinc/57/76/49/553577649.db2.gz SOCLWWRCJKBSAX-INIZCTEOSA-N 0 3 359.430 2.217 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000301061969 553618296 /nfs/dbraw/zinc/61/82/96/553618296.db2.gz BJLKNMZOCWWYJI-UHFFFAOYSA-N 0 3 373.369 2.025 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1N1CCN(c2ccncc2)CC1 ZINC000301702387 553673124 /nfs/dbraw/zinc/67/31/24/553673124.db2.gz UGHATTPWFQVYSJ-UHFFFAOYSA-N 0 3 364.203 2.474 20 5 FEBDHN O=[N+]([O-])c1c(N2CC[C@H](OCCN3CCCCC3)C2)nc2sccn21 ZINC000301747468 553676324 /nfs/dbraw/zinc/67/63/24/553676324.db2.gz QXZMHQQKKNFWSU-ZDUSSCGKSA-N 0 3 365.459 2.385 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059568 553701151 /nfs/dbraw/zinc/70/11/51/553701151.db2.gz BCPPOONAHBZHFK-FRRDWIJNSA-N 0 3 370.475 2.021 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302169207 553707935 /nfs/dbraw/zinc/70/79/35/553707935.db2.gz LDXXHOBATSCCNY-MLGOLLRUSA-N 0 3 355.398 2.021 20 5 FEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000505608297 561675247 /nfs/dbraw/zinc/67/52/47/561675247.db2.gz MWKSWWMINPHGEA-IBGZPJMESA-N 0 3 369.425 2.338 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000325050104 553774739 /nfs/dbraw/zinc/77/47/39/553774739.db2.gz PMBKIPODCOSRSH-ZDUSSCGKSA-N 0 3 353.444 2.165 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000331499796 554275594 /nfs/dbraw/zinc/27/55/94/554275594.db2.gz NURWCZCHQFDYLH-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071219 554374187 /nfs/dbraw/zinc/37/41/87/554374187.db2.gz CCAIPZRRAANSTF-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253770 554411125 /nfs/dbraw/zinc/41/11/25/554411125.db2.gz YNXTWCCIRPGQOQ-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508726 554458834 /nfs/dbraw/zinc/45/88/34/554458834.db2.gz HAPKHESIZUIDPI-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000360810127 554890513 /nfs/dbraw/zinc/89/05/13/554890513.db2.gz KKTVKKNYNMIAGX-UHFFFAOYSA-N 0 3 355.398 2.466 20 5 FEBDHN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000360973663 554898271 /nfs/dbraw/zinc/89/82/71/554898271.db2.gz VMOGFADGAOVXNT-CYBMUJFWSA-N 0 3 353.854 2.248 20 5 FEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000362901984 554997269 /nfs/dbraw/zinc/99/72/69/554997269.db2.gz PDJSRASEPQQVCG-NSHDSACASA-N 0 3 359.835 2.107 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422732 555101782 /nfs/dbraw/zinc/10/17/82/555101782.db2.gz IXHGJUNWTZJYLY-AGIUHOORSA-N 0 3 353.444 2.276 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458202 555110954 /nfs/dbraw/zinc/11/09/54/555110954.db2.gz ZAWUNTMONOLGTD-NWDGAFQWSA-N 0 3 354.794 2.233 20 5 FEBDHN CN1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000363694606 555166026 /nfs/dbraw/zinc/16/60/26/555166026.db2.gz ARDRQVFQFJAZLX-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)c1 ZINC000364195071 555267403 /nfs/dbraw/zinc/26/74/03/555267403.db2.gz BDKVFEPCLSHYFL-HOTGVXAUSA-N 0 3 359.357 2.309 20 5 FEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COc3ccccc3F)CC2)n1 ZINC000365519956 555597173 /nfs/dbraw/zinc/59/71/73/555597173.db2.gz WJAQNCVFCJDLMO-CQSZACIVSA-N 0 3 364.377 2.007 20 5 FEBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000366172515 555772096 /nfs/dbraw/zinc/77/20/96/555772096.db2.gz ZXEMVRSIRUVTRR-CYBMUJFWSA-N 0 3 356.382 2.146 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000368218367 556251541 /nfs/dbraw/zinc/25/15/41/556251541.db2.gz GCODQJIQTABDGX-UHFFFAOYSA-N 0 3 374.485 2.422 20 5 FEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000368318569 556276992 /nfs/dbraw/zinc/27/69/92/556276992.db2.gz MYHTWLFSBLDQRW-IDCODDLRSA-N 0 3 372.469 2.237 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c(Cl)c1 ZINC000368812226 556419293 /nfs/dbraw/zinc/41/92/93/556419293.db2.gz KOJCSEYGKHNFJA-LBPRGKRZSA-N 0 3 359.835 2.107 20 5 FEBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369316147 556572971 /nfs/dbraw/zinc/57/29/71/556572971.db2.gz YPENJEOKDVEJGZ-AWEZNQCLSA-N 0 3 363.414 2.193 20 5 FEBDHN CC[NH+](CC)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000532347412 562474750 /nfs/dbraw/zinc/47/47/50/562474750.db2.gz XNMMDMYIIXZRBJ-ZDUSSCGKSA-N 0 3 358.464 2.025 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827258 556981156 /nfs/dbraw/zinc/98/11/56/556981156.db2.gz RIEQAXZKDWYYBR-JSGCOSHPSA-N 0 3 373.331 2.207 20 5 FEBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCN(c2ccncc2)CC1 ZINC000371540817 557215502 /nfs/dbraw/zinc/21/55/02/557215502.db2.gz DYDWGBNTZLWGHZ-UHFFFAOYSA-N 0 3 373.388 2.452 20 5 FEBDHN COc1cc(CN[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000518607512 562115233 /nfs/dbraw/zinc/11/52/33/562115233.db2.gz DDGKBDQEAQULJK-DUVNUKRYSA-N 0 3 365.405 2.479 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000372296554 557432489 /nfs/dbraw/zinc/43/24/89/557432489.db2.gz RJZZALRXNCJYBN-WMZOPIPTSA-N 0 3 350.415 2.226 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C2CCOCC2)CC1 ZINC000372345182 557446378 /nfs/dbraw/zinc/44/63/78/557446378.db2.gz FYDIMIPNFRVCOB-KRWDZBQOSA-N 0 3 364.442 2.473 20 5 FEBDHN CC(=O)c1ccc(N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607767 557519531 /nfs/dbraw/zinc/51/95/31/557519531.db2.gz VZINXZOJSFMUNX-KRWDZBQOSA-N 0 3 360.458 2.402 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)[nH]2)CC1 ZINC000373236447 557655932 /nfs/dbraw/zinc/65/59/32/557655932.db2.gz IPACVMGENTUIEG-UHFFFAOYSA-N 0 3 365.340 2.589 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1CN1CCCCC1 ZINC000520102661 562149280 /nfs/dbraw/zinc/14/92/80/562149280.db2.gz LUFYFBMVUASMEK-UHFFFAOYSA-N 0 3 371.441 2.402 20 5 FEBDHN CN1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000373289335 557666243 /nfs/dbraw/zinc/66/62/43/557666243.db2.gz QDXGEVMMCODEON-XHDPSFHLSA-N 0 3 361.427 2.288 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH]2)CC1 ZINC000373293286 557666759 /nfs/dbraw/zinc/66/67/59/557666759.db2.gz MZFAFCIZEIXMBX-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467733 557699019 /nfs/dbraw/zinc/69/90/19/557699019.db2.gz UVEXSICZWHJXIF-GJZGRUSLSA-N 0 3 366.466 2.114 20 5 FEBDHN CC[C@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375504487 558039504 /nfs/dbraw/zinc/03/95/04/558039504.db2.gz GNJGELUFBHMALB-HDMKZQKVSA-N 0 3 357.414 2.389 20 5 FEBDHN O=C(c1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556448 558048036 /nfs/dbraw/zinc/04/80/36/558048036.db2.gz GWTHREZWGCYTHZ-CVEARBPZSA-N 0 3 374.441 2.106 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccccc2CO)CC1 ZINC000375570075 558050379 /nfs/dbraw/zinc/05/03/79/558050379.db2.gz GSQMXFNQUNSMNC-UHFFFAOYSA-N 0 3 357.410 2.128 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375879164 558092884 /nfs/dbraw/zinc/09/28/84/558092884.db2.gz HHADLPAWZPLINH-GHOSXJJBSA-N 0 3 372.469 2.235 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC(F)F ZINC000375902044 558096304 /nfs/dbraw/zinc/09/63/04/558096304.db2.gz DZHPFZUHFWQCJI-TZMCWYRMSA-N 0 3 357.357 2.232 20 5 FEBDHN Cc1sc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000378094202 558479387 /nfs/dbraw/zinc/47/93/87/558479387.db2.gz CNXVOYSQZJKZTK-AWEZNQCLSA-N 0 3 366.487 2.205 20 5 FEBDHN Cn1c(C(=O)NCc2ccc(OCCN3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000524695259 562232420 /nfs/dbraw/zinc/23/24/20/562232420.db2.gz YLJOMPUNYBHZAS-UHFFFAOYSA-N 0 3 372.425 2.338 20 5 FEBDHN COc1cc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000525032248 562239505 /nfs/dbraw/zinc/23/95/05/562239505.db2.gz ZNFXZIWLLQLAAA-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411964285 558996291 /nfs/dbraw/zinc/99/62/91/558996291.db2.gz DBEZMWCKTQGWPN-APPDUMDISA-N 0 3 351.403 2.335 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411970424 558997562 /nfs/dbraw/zinc/99/75/62/558997562.db2.gz FOKFSTXNFKRJLO-SJORKVTESA-N 0 3 355.394 2.304 20 5 FEBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000413285182 559095646 /nfs/dbraw/zinc/09/56/46/559095646.db2.gz QGLJLPMSUYDORW-UHFFFAOYSA-N 0 3 361.368 2.447 20 5 FEBDHN C[NH+](C)CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC000413897492 559137913 /nfs/dbraw/zinc/13/79/13/559137913.db2.gz DVULKRMSDQNUJK-UHFFFAOYSA-N 0 3 364.333 2.027 20 5 FEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCC(C)(C)S(C)(=O)=O ZINC000414271385 559154689 /nfs/dbraw/zinc/15/46/89/559154689.db2.gz WLRXTGASKYPGGY-GFCCVEGCSA-N 0 3 371.459 2.115 20 5 FEBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414967318 559197511 /nfs/dbraw/zinc/19/75/11/559197511.db2.gz BAWADCPBZLRSIY-GOSISDBHSA-N 0 3 369.469 2.356 20 5 FEBDHN Cn1cc(CN[C@H]2CNCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415004047 559200285 /nfs/dbraw/zinc/20/02/85/559200285.db2.gz PTKQENLSIHZDFF-AWEZNQCLSA-N 0 3 351.357 2.082 20 5 FEBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CNCC2 ZINC000415887050 559281317 /nfs/dbraw/zinc/28/13/17/559281317.db2.gz WEZBLOPUOPKFJY-UHFFFAOYSA-N 0 3 355.398 2.474 20 5 FEBDHN CC(=O)N1CCN(CCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328364 559357768 /nfs/dbraw/zinc/35/77/68/559357768.db2.gz SKZRXXJUQZKKML-IBGZPJMESA-N 0 3 360.458 2.116 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000420397026 559485344 /nfs/dbraw/zinc/48/53/44/559485344.db2.gz FUOHCHRNWKIXGC-GOSISDBHSA-N 0 3 354.410 2.488 20 5 FEBDHN CCc1ccccc1[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467473 559489112 /nfs/dbraw/zinc/48/91/12/559489112.db2.gz SPLLGKLJQKHKSV-LBPRGKRZSA-N 0 3 355.441 2.197 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420467434 559489121 /nfs/dbraw/zinc/48/91/21/559489121.db2.gz SIZZAIUCWSKMRY-KRWDZBQOSA-N 0 3 363.439 2.277 20 5 FEBDHN N[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039091 559616014 /nfs/dbraw/zinc/61/60/14/559616014.db2.gz PRSLKYAGAGKZMF-SJORKVTESA-N 0 3 361.423 2.103 20 5 FEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2ccc(N3CCNCC3)cn2)n1 ZINC000423224269 559623232 /nfs/dbraw/zinc/62/32/32/559623232.db2.gz BOZZEBYTYRTOBJ-HZPDHXFCSA-N 0 3 371.445 2.192 20 5 FEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N(C)C1=O ZINC000424309596 559661296 /nfs/dbraw/zinc/66/12/96/559661296.db2.gz AVDBQUDKYQFHSH-NWDGAFQWSA-N 0 3 351.428 2.203 20 5 FEBDHN Cn1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425061030 559685956 /nfs/dbraw/zinc/68/59/56/559685956.db2.gz XMSZYXIADYHBON-WMLDXEAASA-N 0 3 369.425 2.162 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000427373665 559754357 /nfs/dbraw/zinc/75/43/57/559754357.db2.gz BRBYUBIFYUBSTP-GOEBONIOSA-N 0 3 371.441 2.452 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)n1 ZINC000427618410 559758910 /nfs/dbraw/zinc/75/89/10/559758910.db2.gz OYTDNYLSIDGOGK-UHFFFAOYSA-N 0 3 373.413 2.020 20 5 FEBDHN CN(C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000428051324 559768672 /nfs/dbraw/zinc/76/86/72/559768672.db2.gz YNEIVICBNCHNLW-ZDUSSCGKSA-N 0 3 358.398 2.074 20 5 FEBDHN CNCc1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000428313619 559773203 /nfs/dbraw/zinc/77/32/03/559773203.db2.gz RFYFWAINIKAKOY-UHFFFAOYSA-N 0 3 357.366 2.267 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428560715 559778390 /nfs/dbraw/zinc/77/83/90/559778390.db2.gz CKLHJZCYGHIDKJ-CQSZACIVSA-N 0 3 372.377 2.109 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312177 559795615 /nfs/dbraw/zinc/79/56/15/559795615.db2.gz OHAIYUQPNHNOQU-WCQYABFASA-N 0 3 371.393 2.393 20 5 FEBDHN CN(C)Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000432849696 559866219 /nfs/dbraw/zinc/86/62/19/559866219.db2.gz BKASQFBTNANPGU-UHFFFAOYSA-N 0 3 363.439 2.477 20 5 FEBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433017082 559870062 /nfs/dbraw/zinc/87/00/62/559870062.db2.gz XDKBEDIZCDMVIC-RCBQFDQVSA-N 0 3 351.403 2.096 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000433097784 559871775 /nfs/dbraw/zinc/87/17/75/559871775.db2.gz PGANRURSGBCZNL-GFCCVEGCSA-N 0 3 371.397 2.455 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440715468 560017050 /nfs/dbraw/zinc/01/70/50/560017050.db2.gz GZCKIULGAUAFIW-AWEZNQCLSA-N 0 3 364.446 2.128 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985939 560247380 /nfs/dbraw/zinc/24/73/80/560247380.db2.gz NPPFVLDMXPESEW-PXAZEXFGSA-N 0 3 357.414 2.397 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCCN1CCCO ZINC000450594308 560267309 /nfs/dbraw/zinc/26/73/09/560267309.db2.gz KFJITEXPXLTNRZ-NSHDSACASA-N 0 3 359.224 2.011 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)nc1-c1ccccc1 ZINC000450610782 560268020 /nfs/dbraw/zinc/26/80/20/560268020.db2.gz HHOIBAUBTOEWLP-MRXNPFEDSA-N 0 3 356.426 2.916 20 5 FEBDHN COc1ccc(CN[C@@H]2COC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000451228528 560294398 /nfs/dbraw/zinc/29/43/98/560294398.db2.gz IFPSCJDQQZPFTH-IAGOWNOFSA-N 0 3 374.393 2.032 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481132 560309647 /nfs/dbraw/zinc/30/96/47/560309647.db2.gz AETHAVKMGGZHAQ-YOEHRIQHSA-N 0 3 351.403 2.335 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501277 560310637 /nfs/dbraw/zinc/31/06/37/560310637.db2.gz OSBPHOQGNAMEBY-LKTVYLICSA-N 0 3 351.403 2.334 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505474 560311000 /nfs/dbraw/zinc/31/10/00/560311000.db2.gz UHHPNUVQNNAFNK-GTTSAUCSSA-N 0 3 351.403 2.191 20 5 FEBDHN COc1cc(C(=O)NCC2(SC)CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000451852612 560332431 /nfs/dbraw/zinc/33/24/31/560332431.db2.gz NXSGEPSGXWTLHQ-UHFFFAOYSA-N 0 3 371.434 2.300 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451920869 560337438 /nfs/dbraw/zinc/33/74/38/560337438.db2.gz YIQLIAHMIGEHHZ-CVEARBPZSA-N 0 3 360.458 2.251 20 5 FEBDHN CNc1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456035082 560505125 /nfs/dbraw/zinc/50/51/25/560505125.db2.gz ANUWACJATBEMBO-CZUORRHYSA-N 0 3 369.425 2.282 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457095118 560548390 /nfs/dbraw/zinc/54/83/90/560548390.db2.gz PIYOEPVHNUYPHL-CQSZACIVSA-N 0 3 367.471 2.234 20 5 FEBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467669405 560914583 /nfs/dbraw/zinc/91/45/83/560914583.db2.gz WUGOVCDDEUTJCA-LJQANCHMSA-N 0 3 373.384 2.101 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000470063725 560973212 /nfs/dbraw/zinc/97/32/12/560973212.db2.gz AFNYKIQBFRNXAY-HNNXBMFYSA-N 0 3 374.441 2.167 20 5 FEBDHN CNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603150 561030829 /nfs/dbraw/zinc/03/08/29/561030829.db2.gz CDFYDYWQOPTZEY-CVEARBPZSA-N 0 3 357.414 2.424 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCC[C@@]1(C)CO ZINC000472633914 561031506 /nfs/dbraw/zinc/03/15/06/561031506.db2.gz UPNYVRWNBVMJIL-KCTSRDHCSA-N 0 3 351.403 2.071 20 5 FEBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000473995455 561062990 /nfs/dbraw/zinc/06/29/90/561062990.db2.gz LIJWBYPOUZLUKA-HIFRSBDPSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CN(C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000475692789 561102363 /nfs/dbraw/zinc/10/23/63/561102363.db2.gz BFFYJNVRFJQQGT-CQSZACIVSA-N 0 3 352.387 2.005 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475706398 561102902 /nfs/dbraw/zinc/10/29/02/561102902.db2.gz PBWDYBPYVHMAGH-CABCVRRESA-N 0 3 364.398 2.148 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000476637144 561124888 /nfs/dbraw/zinc/12/48/88/561124888.db2.gz UJEVGHNSMPMVGU-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476646625 561125106 /nfs/dbraw/zinc/12/51/06/561125106.db2.gz HJAHUZMIDCCDKK-UHFFFAOYSA-N 0 3 372.429 2.102 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000530441521 562411340 /nfs/dbraw/zinc/41/13/40/562411340.db2.gz JHOQGDOVTXBTQU-UHFFFAOYSA-N 0 3 359.382 2.182 20 5 FEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530811479 562424672 /nfs/dbraw/zinc/42/46/72/562424672.db2.gz SQGFRUVSNUAVKS-FQEVSTJZSA-N 0 3 369.421 2.190 20 5 FEBDHN Cc1ccc(CN(CCN(C)C)C(=O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000531847689 562458686 /nfs/dbraw/zinc/45/86/86/562458686.db2.gz VZMVCPWGHJMGHL-UHFFFAOYSA-N 0 3 361.398 2.465 20 5 FEBDHN C[C@H]1CCCCN1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165061 562469313 /nfs/dbraw/zinc/46/93/13/562469313.db2.gz QEGOCJPBLBWKBR-ZDUSSCGKSA-N 0 3 370.475 2.131 20 5 FEBDHN COc1cccc(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000534139001 562526316 /nfs/dbraw/zinc/52/63/16/562526316.db2.gz YAQNRZDMEXLSEE-INIZCTEOSA-N 0 3 357.410 2.472 20 5 FEBDHN COC(=O)c1cc(N2C[C@@H](SC)[C@@H](N(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000536995811 562583821 /nfs/dbraw/zinc/58/38/21/562583821.db2.gz KVIUYMTZYPRQAD-UONOGXRCSA-N 0 3 353.444 2.172 20 5 FEBDHN O=[N+]([O-])c1sc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1Br ZINC000602690475 568015232 /nfs/dbraw/zinc/01/52/32/568015232.db2.gz NNEWGHGBRSCWBO-KCJUWKMLSA-N 0 3 365.249 2.296 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)c2cccnc2)c1 ZINC000569046711 568280452 /nfs/dbraw/zinc/28/04/52/568280452.db2.gz DJNURYKWOCWTMT-CYBMUJFWSA-N 0 3 353.325 2.457 20 5 FEBDHN CN1CCC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570240376 568465318 /nfs/dbraw/zinc/46/53/18/568465318.db2.gz PHGVGEWRSAUDQB-CYBMUJFWSA-N 0 3 359.430 2.260 20 5 FEBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736239777 598498473 /nfs/dbraw/zinc/49/84/73/598498473.db2.gz XVJWBBUVLKPPFK-JHJVBQTASA-N 0 3 372.433 2.012 20 5 FEBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736239777 598498475 /nfs/dbraw/zinc/49/84/75/598498475.db2.gz XVJWBBUVLKPPFK-JHJVBQTASA-N 0 3 372.433 2.012 20 5 FEBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736758770 598499537 /nfs/dbraw/zinc/49/95/37/598499537.db2.gz HZTPMTFMFNHLHF-AWEZNQCLSA-N 0 3 360.422 2.092 20 5 FEBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736758770 598499539 /nfs/dbraw/zinc/49/95/39/598499539.db2.gz HZTPMTFMFNHLHF-AWEZNQCLSA-N 0 3 360.422 2.092 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368219 599534102 /nfs/dbraw/zinc/53/41/02/599534102.db2.gz ATPFCTOANZSWOK-ZDUSSCGKSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368219 599534105 /nfs/dbraw/zinc/53/41/05/599534105.db2.gz ATPFCTOANZSWOK-ZDUSSCGKSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640020 607470678 /nfs/dbraw/zinc/47/06/78/607470678.db2.gz PPGIBSFZPPNHER-BLLLJJGKSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640020 607470679 /nfs/dbraw/zinc/47/06/79/607470679.db2.gz PPGIBSFZPPNHER-BLLLJJGKSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640020 607470680 /nfs/dbraw/zinc/47/06/80/607470680.db2.gz PPGIBSFZPPNHER-BLLLJJGKSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640020 607470681 /nfs/dbraw/zinc/47/06/81/607470681.db2.gz PPGIBSFZPPNHER-BLLLJJGKSA-N 0 3 369.429 2.228 20 5 FEBDHN COc1cccc(-n2ccnc2SCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104362 674719781 /nfs/dbraw/zinc/71/97/81/674719781.db2.gz ZEXBKZVAYIPXCN-NSHDSACASA-N 0 3 351.384 2.181 20 5 FEBDHN CC(COC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813106538 674720357 /nfs/dbraw/zinc/72/03/57/674720357.db2.gz CWBIURRMFLMWCX-TZMCWYRMSA-N 0 3 352.387 2.331 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000813108954 674720627 /nfs/dbraw/zinc/72/06/27/674720627.db2.gz CPHPOOTZLHKDJK-ZFWWWQNUSA-N 0 3 350.371 2.386 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000574328101 671227154 /nfs/dbraw/zinc/22/71/54/671227154.db2.gz SHXRRAHKAHCWFS-QWHCGFSZSA-N 0 3 371.459 2.097 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135140 675956204 /nfs/dbraw/zinc/95/62/04/675956204.db2.gz KFRZMQVSKTWMGJ-KGLIPLIRSA-N 0 3 355.460 2.397 20 5 FEBDHN CN1CCN(CCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000582007911 671958644 /nfs/dbraw/zinc/95/86/44/671958644.db2.gz POZAMKCHGWJCPQ-OAHLLOKOSA-N 0 3 360.380 2.425 20 5 FEBDHN COC1CCN(C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000730790463 673290884 /nfs/dbraw/zinc/29/08/84/673290884.db2.gz XFESUIJMAAHVGZ-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598604915 673588919 /nfs/dbraw/zinc/58/89/19/673588919.db2.gz CLBVNWATCSWIBN-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626574 673699227 /nfs/dbraw/zinc/69/92/27/673699227.db2.gz RYCNZJUOGHLYOY-RPHNGCRZSA-N 0 3 351.403 2.332 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2c(Cl)oc3ccccc32)c1 ZINC000600755231 673796714 /nfs/dbraw/zinc/79/67/14/673796714.db2.gz FVPIRZHSMHFKTG-NSHDSACASA-N 0 3 350.762 2.342 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601292125 673838671 /nfs/dbraw/zinc/83/86/71/673838671.db2.gz SIRSWAWKNLVJKO-BETUJISGSA-N 0 3 353.394 2.353 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000602780398 673910825 /nfs/dbraw/zinc/91/08/25/673910825.db2.gz PGBVWSOSSAFHDM-INIZCTEOSA-N 0 3 352.435 2.150 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccc(Br)cc1 ZINC000602804402 673911333 /nfs/dbraw/zinc/91/13/33/673911333.db2.gz FIKIKLGZKCFIQW-ZDUSSCGKSA-N 0 3 369.219 2.185 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923827 673913851 /nfs/dbraw/zinc/91/38/51/673913851.db2.gz GOHTYVLPBBARON-HNNXBMFYSA-N 0 3 369.780 2.262 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC[C@@H]2CCCCO2)cc1 ZINC000566851353 675247670 /nfs/dbraw/zinc/24/76/70/675247670.db2.gz DFWBUFJAIRDKMZ-HNNXBMFYSA-N 0 3 356.444 2.307 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825797522 675669490 /nfs/dbraw/zinc/66/94/90/675669490.db2.gz YVPLDWZNFJCHQO-GFCCVEGCSA-N 0 3 352.410 2.404 20 5 FEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000765798540 680855759 /nfs/dbraw/zinc/85/57/59/680855759.db2.gz RIZLRGFDBXWQPI-LBPRGKRZSA-N 0 3 361.427 2.346 20 5 FEBDHN O=C(N[C@H]1C[C@H](NCc2csc(C3CCCC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140761 680101026 /nfs/dbraw/zinc/10/10/26/680101026.db2.gz XZCXLLLOMNYMHA-QHSBEEBCSA-N 0 3 364.471 2.203 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CCO)c2cccs2)c1 ZINC000754380397 680352657 /nfs/dbraw/zinc/35/26/57/680352657.db2.gz CVKHOICIBOXCJZ-DZGCQCFKSA-N 0 3 352.412 2.109 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2CCCc1ccsc1 ZINC001039583176 680464203 /nfs/dbraw/zinc/46/42/03/680464203.db2.gz FYWBDDOIRJWZHD-YYIAUSFCSA-N 0 3 363.483 2.411 20 5 FEBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001045436183 680629348 /nfs/dbraw/zinc/62/93/48/680629348.db2.gz LQLKVXCBIKXURF-IUODEOHRSA-N 0 3 353.369 2.101 20 5 FEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912608798 685405435 /nfs/dbraw/zinc/40/54/35/685405435.db2.gz YMLNUTAXVQJJGW-UHFFFAOYSA-N 0 3 355.460 2.091 20 5 FEBDHN COCc1nn(C)cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880075 681158932 /nfs/dbraw/zinc/15/89/32/681158932.db2.gz KSCRNUGFZNARHU-ZUZCIYMTSA-N 0 3 351.334 2.269 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778265209 681590677 /nfs/dbraw/zinc/59/06/77/681590677.db2.gz UBXIAUGFXUVOKS-UHFFFAOYSA-N 0 3 351.432 2.259 20 5 FEBDHN CC(COC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)[N+](=O)[O-] ZINC000851036124 682003896 /nfs/dbraw/zinc/00/38/96/682003896.db2.gz FPWINCIHWKHRFC-SNVBAGLBSA-N 0 3 356.379 2.174 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791209255 682728772 /nfs/dbraw/zinc/72/87/72/682728772.db2.gz LMQLBQLJLBQWIV-LBPRGKRZSA-N 0 3 352.410 2.262 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000798466738 683353655 /nfs/dbraw/zinc/35/36/55/683353655.db2.gz RTTPEFIEMKWTNE-UHFFFAOYSA-N 0 3 359.473 2.153 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928434152 683449926 /nfs/dbraw/zinc/44/99/26/683449926.db2.gz HMBSHPOGLRQQGT-NOZJJQNGSA-N 0 3 356.220 2.488 20 5 FEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000866295430 684090040 /nfs/dbraw/zinc/09/00/40/684090040.db2.gz BSODXSUVSPEUNB-BXKDBHETSA-N 0 3 363.311 2.418 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000932033494 684396215 /nfs/dbraw/zinc/39/62/15/684396215.db2.gz BIKWKTLOZOMAIS-CQSZACIVSA-N 0 3 367.471 2.500 20 5 FEBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135184 687004330 /nfs/dbraw/zinc/00/43/30/687004330.db2.gz RITXYLZJGCISHP-GJZGRUSLSA-N 0 3 352.822 2.355 20 5 FEBDHN COc1c(O)ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000893535873 689363021 /nfs/dbraw/zinc/36/30/21/689363021.db2.gz QQNOJQBIYHDRRP-CYBMUJFWSA-N 0 3 352.387 2.284 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC000897218242 689989514 /nfs/dbraw/zinc/98/95/14/689989514.db2.gz BPFFYISQCWYHAQ-CHWSQXEVSA-N 0 3 360.336 2.044 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c(OC(F)F)c1 ZINC000897221367 689990330 /nfs/dbraw/zinc/99/03/30/689990330.db2.gz LYOBDLSJHQVSKL-QWHCGFSZSA-N 0 3 357.357 2.232 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000908503989 691690829 /nfs/dbraw/zinc/69/08/29/691690829.db2.gz RTXXSDKDDHRMOL-JTQLQIEISA-N 0 3 352.822 2.387 20 5 FEBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)cc1 ZINC000549615265 674053894 /nfs/dbraw/zinc/05/38/94/674053894.db2.gz ALZRLFAOVPJFJY-CQSZACIVSA-N 0 3 363.805 2.258 20 5 FEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@@H]1C ZINC000032732901 539950133 /nfs/dbraw/zinc/95/01/33/539950133.db2.gz GWLQCMAXZSSDMS-STQMWFEESA-N 0 3 363.414 2.359 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCN(CC)CC2)cc1OC ZINC000044019689 540117706 /nfs/dbraw/zinc/11/77/06/540117706.db2.gz HKZOZLJSWUCUSU-UHFFFAOYSA-N 0 3 351.403 2.216 20 5 FEBDHN CCC[NH+]1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044667893 540135729 /nfs/dbraw/zinc/13/57/29/540135729.db2.gz PDKPWHSKOHGABN-UHFFFAOYSA-N 0 3 361.851 2.401 20 5 FEBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045262841 540208157 /nfs/dbraw/zinc/20/81/57/540208157.db2.gz BIEOTVURFDSOGS-AWEZNQCLSA-N 0 3 365.393 2.475 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)cc1OC ZINC000046879092 540274747 /nfs/dbraw/zinc/27/47/47/540274747.db2.gz NITNVJQTMLCXCW-ZDUSSCGKSA-N 0 3 365.430 2.464 20 5 FEBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC2CCCC2)cccc1[N+](=O)[O-] ZINC000048716905 540371415 /nfs/dbraw/zinc/37/14/15/540371415.db2.gz CIUAMKAQVFNYBU-GFCCVEGCSA-N 0 3 354.428 2.265 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000049969131 540395283 /nfs/dbraw/zinc/39/52/83/540395283.db2.gz YVJPFGRGFAIZIC-CQSZACIVSA-N 0 3 364.446 2.204 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000055298098 540645046 /nfs/dbraw/zinc/64/50/46/540645046.db2.gz PCXXVYNUBOWUNG-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(C)CC1 ZINC000066633864 541350598 /nfs/dbraw/zinc/35/05/98/541350598.db2.gz GJSTZPOMYJCVGX-ZDUSSCGKSA-N 0 3 363.414 2.216 20 5 FEBDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067419448 541461540 /nfs/dbraw/zinc/46/15/40/541461540.db2.gz RVULXIDQLBUSIO-OAHLLOKOSA-N 0 3 362.430 2.080 20 5 FEBDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067419441 541461672 /nfs/dbraw/zinc/46/16/72/541461672.db2.gz BKPDHZAYKWEMKB-HNNXBMFYSA-N 0 3 362.430 2.080 20 5 FEBDHN CN(C)CCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000068130574 541553528 /nfs/dbraw/zinc/55/35/28/541553528.db2.gz POHPAEKMUPBJJN-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068305687 541574698 /nfs/dbraw/zinc/57/46/98/541574698.db2.gz ZDBBKRQHAWMABM-ZIAGYGMSSA-N 0 3 363.414 2.023 20 5 FEBDHN CCCCN1CCC(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000068903250 541639309 /nfs/dbraw/zinc/63/93/09/541639309.db2.gz TVLGQUPAXHNQNA-UHFFFAOYSA-N 0 3 371.459 2.146 20 5 FEBDHN CC1CCN(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069074804 541654400 /nfs/dbraw/zinc/65/44/00/541654400.db2.gz MMFLUXZQPNLJJR-UHFFFAOYSA-N 0 3 350.419 2.005 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000069554655 541696645 /nfs/dbraw/zinc/69/66/45/541696645.db2.gz ZNNSQCCCCMWZBZ-OAHLLOKOSA-N 0 3 374.441 2.447 20 5 FEBDHN CN(C)CCOc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000071963742 541776979 /nfs/dbraw/zinc/77/69/79/541776979.db2.gz SFESSKGAENPBOY-UHFFFAOYSA-N 0 3 373.409 2.230 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000076639272 542303295 /nfs/dbraw/zinc/30/32/95/542303295.db2.gz NGMRLAFYGLMGEX-OAHLLOKOSA-N 0 3 374.441 2.222 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000077451416 542383272 /nfs/dbraw/zinc/38/32/72/542383272.db2.gz UYXHMYRFWVTIHW-INIZCTEOSA-N 0 3 360.458 2.003 20 5 FEBDHN O=C(NCCN1CCCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078870698 542485281 /nfs/dbraw/zinc/48/52/81/542485281.db2.gz IEUOEGMSQDXSFW-UHFFFAOYSA-N 0 3 357.414 2.386 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C[NH+](C)C)cc1 ZINC000092980290 542899590 /nfs/dbraw/zinc/89/95/90/542899590.db2.gz XINDIUGYNJPZGG-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093001788 542900786 /nfs/dbraw/zinc/90/07/86/542900786.db2.gz NLYWUUBAKWSAFW-TZMCWYRMSA-N 0 3 373.450 2.393 20 5 FEBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cnn(C)c1 ZINC000103474449 543109820 /nfs/dbraw/zinc/10/98/20/543109820.db2.gz BIYQYMHIWCAPFX-UHFFFAOYSA-N 0 3 361.402 2.188 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000104733268 543140455 /nfs/dbraw/zinc/14/04/55/543140455.db2.gz SEGKNEZYTJSKGV-AWEZNQCLSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1[nH]ncc1CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000110845673 543369925 /nfs/dbraw/zinc/36/99/25/543369925.db2.gz CKDTVEXTNGFQPJ-UHFFFAOYSA-N 0 3 354.370 2.175 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112917562 543468039 /nfs/dbraw/zinc/46/80/39/543468039.db2.gz ZLGZFNOIOZVIKM-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113198866 543476673 /nfs/dbraw/zinc/47/66/73/543476673.db2.gz WINARWXCJPFDOL-HNNXBMFYSA-N 0 3 363.414 2.167 20 5 FEBDHN Cc1c(C(=O)NC[C@H](CC(C)C)N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000114377240 543512145 /nfs/dbraw/zinc/51/21/45/543512145.db2.gz ZRKYKUOHGUCFRL-INIZCTEOSA-N 0 3 374.445 2.190 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114641601 543527054 /nfs/dbraw/zinc/52/70/54/543527054.db2.gz OOXKRJRRYWUGNU-OAHLLOKOSA-N 0 3 357.414 2.031 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1OC ZINC000115439339 543567268 /nfs/dbraw/zinc/56/72/68/543567268.db2.gz DAXAFSFTSLENQM-ZDUSSCGKSA-N 0 3 365.430 2.416 20 5 FEBDHN CCN1CCN(c2ccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000116447924 543608426 /nfs/dbraw/zinc/60/84/26/543608426.db2.gz FDBZUMLZDZHBIN-UHFFFAOYSA-N 0 3 372.429 2.329 20 5 FEBDHN CC[NH+]1CCN(c2ccc(NC(=O)c3n[n-]c(C)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000116447924 543608429 /nfs/dbraw/zinc/60/84/29/543608429.db2.gz FDBZUMLZDZHBIN-UHFFFAOYSA-N 0 3 372.429 2.329 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000123072496 543740517 /nfs/dbraw/zinc/74/05/17/543740517.db2.gz UKKABJXXFUBCDV-UHFFFAOYSA-N 0 3 357.370 2.353 20 5 FEBDHN COc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000105686548 222373691 /nfs/dbraw/zinc/37/36/91/222373691.db2.gz DKRKJYRNINTIRC-UHFFFAOYSA-N 0 3 371.459 2.097 20 5 FEBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000109854229 222473724 /nfs/dbraw/zinc/47/37/24/222473724.db2.gz NXFTYLJWLDGLNU-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN Cc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000151637453 544565256 /nfs/dbraw/zinc/56/52/56/544565256.db2.gz IRQOBJQMCKRPFR-CQSZACIVSA-N 0 3 366.849 2.299 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000184883369 327887374 /nfs/dbraw/zinc/88/73/74/327887374.db2.gz NFUHNYKOSOSXLN-AEFFLSMTSA-N 0 3 363.458 2.127 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188079744 328064496 /nfs/dbraw/zinc/06/44/96/328064496.db2.gz ZMZOTXQHFZVCAS-FQEVSTJZSA-N 0 3 369.421 2.304 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000189112422 328129255 /nfs/dbraw/zinc/12/92/55/328129255.db2.gz ZJWQOCIUHPFCML-MRXNPFEDSA-N 0 3 357.476 2.381 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC000190001158 328181707 /nfs/dbraw/zinc/18/17/07/328181707.db2.gz LBVZUJSAGGGGCV-OAHLLOKOSA-N 0 3 367.471 2.318 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192114684 328300502 /nfs/dbraw/zinc/30/05/02/328300502.db2.gz JITAUASAXZYUCA-RDJZCZTQSA-N 0 3 365.336 2.155 20 5 FEBDHN CC(C)[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940074 328347996 /nfs/dbraw/zinc/34/79/96/328347996.db2.gz TVZCCSLCIPYFNQ-QZTJIDSGSA-N 0 3 361.442 2.445 20 5 FEBDHN CN(C)CCNC(=O)c1cccc(CNc2cc(N)ccc2[N+](=O)[O-])c1 ZINC000193407550 328373596 /nfs/dbraw/zinc/37/35/96/328373596.db2.gz HCYSYWWUYLYIIG-UHFFFAOYSA-N 0 3 357.414 2.081 20 5 FEBDHN Nc1c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000081293442 325168589 /nfs/dbraw/zinc/16/85/89/325168589.db2.gz LBHACNIKYDJODH-ZDUSSCGKSA-N 0 3 350.394 2.310 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000081997468 325206509 /nfs/dbraw/zinc/20/65/09/325206509.db2.gz YQTRIBCVMNVMKU-UHFFFAOYSA-N 0 3 353.394 2.353 20 5 FEBDHN COc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083027189 325210375 /nfs/dbraw/zinc/21/03/75/325210375.db2.gz LGDSVSVYXZWSQT-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1 ZINC000089905657 325341475 /nfs/dbraw/zinc/34/14/75/325341475.db2.gz VCQOBTDHGCNRPO-OAHLLOKOSA-N 0 3 372.425 2.404 20 5 FEBDHN Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000113989127 325867736 /nfs/dbraw/zinc/86/77/36/325867736.db2.gz DUSSQHHMJJGMRV-UHFFFAOYSA-N 0 3 370.409 2.333 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c1C ZINC000120133731 326232957 /nfs/dbraw/zinc/23/29/57/326232957.db2.gz PSAHSOSELQJADG-UHFFFAOYSA-N 0 3 355.460 2.222 20 5 FEBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000120620566 326273441 /nfs/dbraw/zinc/27/34/41/326273441.db2.gz HOEZBQXBOORBNA-QGZVFWFLSA-N 0 3 369.487 2.385 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121491026 326342586 /nfs/dbraw/zinc/34/25/86/326342586.db2.gz NBIYJBZDGFPCKL-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN Cc1sc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000123999290 326446118 /nfs/dbraw/zinc/44/61/18/326446118.db2.gz FZCNUPYUNNKBFC-UHFFFAOYSA-N 0 3 364.427 2.230 20 5 FEBDHN Cc1c(CC(=O)NC2CCN(CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000127323697 326504228 /nfs/dbraw/zinc/50/42/28/326504228.db2.gz HNMGQPYKWAAOMN-UHFFFAOYSA-N 0 3 363.458 2.451 20 5 FEBDHN O=C(CN[C@@H]1CCCC[C@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128860206 326530871 /nfs/dbraw/zinc/53/08/71/326530871.db2.gz WQKMKSYSSHLZCO-SJLPKXTDSA-N 0 3 369.425 2.454 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(CCc2ccccn2)CC1 ZINC000129348347 326538964 /nfs/dbraw/zinc/53/89/64/326538964.db2.gz CYGGBVZGFPYGRD-UHFFFAOYSA-N 0 3 358.398 2.362 20 5 FEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000132736976 326597294 /nfs/dbraw/zinc/59/72/94/326597294.db2.gz JBVJTRDPZNMNJH-UHFFFAOYSA-N 0 3 370.247 2.452 20 5 FEBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135489791 326642395 /nfs/dbraw/zinc/64/23/95/326642395.db2.gz YFKDPVNQEZRCPM-UHFFFAOYSA-N 0 3 365.405 2.499 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865451 326656048 /nfs/dbraw/zinc/65/60/48/326656048.db2.gz XXKUAKIDZAGIBO-PMACEKPBSA-N 0 3 371.437 2.291 20 5 FEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000151979454 326696135 /nfs/dbraw/zinc/69/61/35/326696135.db2.gz JYOGTDBGNYTJFE-ZIAGYGMSSA-N 0 3 364.446 2.256 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(CC)CC1 ZINC000164070448 327064153 /nfs/dbraw/zinc/06/41/53/327064153.db2.gz BEDUMYGSKODLID-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN COc1cc(OCC(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000170684672 327093821 /nfs/dbraw/zinc/09/38/21/327093821.db2.gz SEFHYXJSBAFLCH-AWEZNQCLSA-N 0 3 363.414 2.069 20 5 FEBDHN CCCNC(=O)[C@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173590899 327269488 /nfs/dbraw/zinc/26/94/88/327269488.db2.gz PYXLCYUSCKGPCB-AWEZNQCLSA-N 0 3 365.430 2.220 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173628015 327272299 /nfs/dbraw/zinc/27/22/99/327272299.db2.gz OHUKDRSLAFCOJM-OAHLLOKOSA-N 0 3 367.471 2.400 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173988720 327300031 /nfs/dbraw/zinc/30/00/31/327300031.db2.gz JTHYAZULYPFSNA-GFCCVEGCSA-N 0 3 361.851 2.353 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173995274 327300301 /nfs/dbraw/zinc/30/03/01/327300301.db2.gz ONNNGOVUPXSXQZ-LLVKDONJSA-N 0 3 361.851 2.353 20 5 FEBDHN Cc1cc(C(=O)NC2CCN(CCOC(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000174981029 327365290 /nfs/dbraw/zinc/36/52/90/327365290.db2.gz IGUGFTMITBAVGY-UHFFFAOYSA-N 0 3 364.446 2.105 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCCC2)c1C ZINC000178283470 327576276 /nfs/dbraw/zinc/57/62/76/327576276.db2.gz LVGBOPCLMQSJIY-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN CNC(=O)c1ccc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000267057132 329287107 /nfs/dbraw/zinc/28/71/07/329287107.db2.gz OOAJONPPTWZZAV-UHFFFAOYSA-N 0 3 364.446 2.256 20 5 FEBDHN C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858129 329462473 /nfs/dbraw/zinc/46/24/73/329462473.db2.gz RIZMMIAWXHBUIF-SWLSCSKDSA-N 0 3 360.366 2.414 20 5 FEBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C)CN1 ZINC000272646642 329801058 /nfs/dbraw/zinc/80/10/58/329801058.db2.gz YKEOPZOODRWTEJ-HTQZYQBOSA-N 0 3 360.183 2.319 20 5 FEBDHN Cc1cc(NC[C@@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272862495 329818852 /nfs/dbraw/zinc/81/88/52/329818852.db2.gz QSVXESISPOGDBD-LBPRGKRZSA-N 0 3 364.427 2.145 20 5 FEBDHN COCCCN1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272869456 329819285 /nfs/dbraw/zinc/81/92/85/329819285.db2.gz UHRJRGPFGPVDHY-UHFFFAOYSA-N 0 3 366.418 2.226 20 5 FEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089798 329914951 /nfs/dbraw/zinc/91/49/51/329914951.db2.gz TYLLEFYHHNQXAG-VHSXEESVSA-N 0 3 357.794 2.364 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275290438 330031201 /nfs/dbraw/zinc/03/12/01/330031201.db2.gz OOZGNOLBHTXFPT-HUUCEWRRSA-N 0 3 353.419 2.386 20 5 FEBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000275948686 330105842 /nfs/dbraw/zinc/10/58/42/330105842.db2.gz YKHKUVRWMQSIIW-ZDUSSCGKSA-N 0 3 362.430 2.030 20 5 FEBDHN C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1=CCN(C)CC1 ZINC000276317629 330140020 /nfs/dbraw/zinc/14/00/20/330140020.db2.gz PMCAZGDPDWFRKX-ZDUSSCGKSA-N 0 3 360.414 2.018 20 5 FEBDHN COc1cc(CNC[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443503 330152585 /nfs/dbraw/zinc/15/25/85/330152585.db2.gz JAEVYVRTHWZUNR-PWSUYJOCSA-N 0 3 360.357 2.498 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000411382801 330256478 /nfs/dbraw/zinc/25/64/78/330256478.db2.gz FWAQAPRWYVPPGF-UHFFFAOYSA-N 0 3 364.446 2.196 20 5 FEBDHN CN(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555142981 674349517 /nfs/dbraw/zinc/34/95/17/674349517.db2.gz RJLGHFDPCQYWIS-CYBMUJFWSA-N 0 3 363.805 2.457 20 5 FEBDHN CN(C)CCN(Cc1ccco1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000156458296 545628373 /nfs/dbraw/zinc/62/83/73/545628373.db2.gz NPDIIKATAYBTKS-UHFFFAOYSA-N 0 3 360.414 2.214 20 5 FEBDHN CN1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000478401568 561165931 /nfs/dbraw/zinc/16/59/31/561165931.db2.gz RBCSEPVZKCLPPJ-ROUUACIJSA-N 0 3 355.394 2.188 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000478447077 561167024 /nfs/dbraw/zinc/16/70/24/561167024.db2.gz QNZKXVVZLOYNIU-UHFFFAOYSA-N 0 3 360.345 2.100 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183408 546417596 /nfs/dbraw/zinc/41/75/96/546417596.db2.gz DUUBKWQFYHCVPG-HOCLYGCPSA-N 0 3 364.446 2.374 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000480786054 561216748 /nfs/dbraw/zinc/21/67/48/561216748.db2.gz KSVOMNHZUSTHKV-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000183404491 547651828 /nfs/dbraw/zinc/65/18/28/547651828.db2.gz MCPLBCWZHZAJDS-HNNXBMFYSA-N 0 3 361.423 2.153 20 5 FEBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000183444577 547660246 /nfs/dbraw/zinc/66/02/46/547660246.db2.gz WLVOKPCYJBKACQ-GOSISDBHSA-N 0 3 355.394 2.091 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184370465 547814943 /nfs/dbraw/zinc/81/49/43/547814943.db2.gz BOUAMNGESNFUQS-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000227537455 548752188 /nfs/dbraw/zinc/75/21/88/548752188.db2.gz HOXQGZRYBXRNLX-ZJUUUORDSA-N 0 3 357.208 2.027 20 5 FEBDHN COc1ccc(CSCC(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000487532272 561371441 /nfs/dbraw/zinc/37/14/41/561371441.db2.gz DGFXSJIWKOZYFI-UHFFFAOYSA-N 0 3 367.471 2.391 20 5 FEBDHN CC(C)[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000487957383 561379841 /nfs/dbraw/zinc/37/98/41/561379841.db2.gz XEGVIFFWPUYOAU-INIZCTEOSA-N 0 3 362.430 2.165 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000246253230 549089479 /nfs/dbraw/zinc/08/94/79/549089479.db2.gz KCOJQWGSBZXUEE-LSDHHAIUSA-N 0 3 369.487 2.177 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246733789 549198707 /nfs/dbraw/zinc/19/87/07/549198707.db2.gz OVVDSQWRNRZLHM-KFWWJZLASA-N 0 3 369.487 2.381 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000246974858 549255091 /nfs/dbraw/zinc/25/50/91/549255091.db2.gz JIXLWIPEQMXRKN-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000247129083 549289429 /nfs/dbraw/zinc/28/94/29/549289429.db2.gz NLLQNAVSYUPBRH-KBXCAEBGSA-N 0 3 369.425 2.337 20 5 FEBDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000253159110 549680551 /nfs/dbraw/zinc/68/05/51/549680551.db2.gz QYCMHZNKDAJQPT-NDMJEZRESA-N 0 3 368.821 2.209 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000490543296 561434855 /nfs/dbraw/zinc/43/48/55/561434855.db2.gz ZWRUIRGJNZWKOG-SFHVURJKSA-N 0 3 357.414 2.113 20 5 FEBDHN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000490630239 561436354 /nfs/dbraw/zinc/43/63/54/561436354.db2.gz JWCRXQOYUFMXGM-YOEHRIQHSA-N 0 3 350.438 2.192 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000263871182 549948903 /nfs/dbraw/zinc/94/89/03/549948903.db2.gz ZWYFTJULXVDXQE-OAHLLOKOSA-N 0 3 361.398 2.082 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261509 550041941 /nfs/dbraw/zinc/04/19/41/550041941.db2.gz ZIWOAMYIMKISSM-CXAGYDPISA-N 0 3 358.442 2.408 20 5 FEBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248345 561465559 /nfs/dbraw/zinc/46/55/59/561465559.db2.gz QXANNAAHNVWJKN-OTYXRUKQSA-N 0 3 372.219 2.453 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272599828 550460285 /nfs/dbraw/zinc/46/02/85/550460285.db2.gz XOQROVWKVAOBFP-CYBMUJFWSA-N 0 3 355.460 2.254 20 5 FEBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c2nonc21 ZINC000273045682 550482227 /nfs/dbraw/zinc/48/22/27/550482227.db2.gz ARRHNKAHLXCFOH-AWEZNQCLSA-N 0 3 369.381 2.310 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cc([N+](=O)[O-])c1OC ZINC000277630185 550694204 /nfs/dbraw/zinc/69/42/04/550694204.db2.gz XCOAFOSQGIGHNV-CQSZACIVSA-N 0 3 363.414 2.359 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1F ZINC000277780935 550713445 /nfs/dbraw/zinc/71/34/45/550713445.db2.gz UFCNKZTVCAIQMF-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277955738 550732869 /nfs/dbraw/zinc/73/28/69/550732869.db2.gz TTWFQMHGFWNCKK-LBPRGKRZSA-N 0 3 360.418 2.002 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278786367 550821962 /nfs/dbraw/zinc/82/19/62/550821962.db2.gz YOSPEPJAODSIPL-OAHLLOKOSA-N 0 3 363.458 2.490 20 5 FEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510479 550898307 /nfs/dbraw/zinc/89/83/07/550898307.db2.gz UHFULMJGAREVSF-BXUZGUMPSA-N 0 3 352.410 2.212 20 5 FEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(CCCOC)CC1 ZINC000280908427 551044626 /nfs/dbraw/zinc/04/46/26/551044626.db2.gz IFZMHYLVFDNGIP-UHFFFAOYSA-N 0 3 365.430 2.224 20 5 FEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000281034838 551056900 /nfs/dbraw/zinc/05/69/00/551056900.db2.gz URDOHQLDUKKXBM-AWEZNQCLSA-N 0 3 356.382 2.463 20 5 FEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281108716 551064080 /nfs/dbraw/zinc/06/40/80/551064080.db2.gz GDOVWGYLZGHMJQ-VIFPVBQESA-N 0 3 365.814 2.102 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC2CCN(C)CC2)n1 ZINC000497861493 561510154 /nfs/dbraw/zinc/51/01/54/561510154.db2.gz XGFQOQQYFUGNGO-UHFFFAOYSA-N 0 3 358.402 2.087 20 5 FEBDHN CN1CC[C@@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000284836852 551647046 /nfs/dbraw/zinc/64/70/46/551647046.db2.gz NFCODTQVTLHHQM-IRXDYDNUSA-N 0 3 358.398 2.155 20 5 FEBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641978 551909680 /nfs/dbraw/zinc/90/96/80/551909680.db2.gz BHUHBAZUUWLAFC-OCCSQVGLSA-N 0 3 363.414 2.311 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000286653710 551911025 /nfs/dbraw/zinc/91/10/25/551911025.db2.gz DTRDDSZYSUMLAA-UHFFFAOYSA-N 0 3 372.429 2.124 20 5 FEBDHN CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287793998 552047370 /nfs/dbraw/zinc/04/73/70/552047370.db2.gz TUBVZYKKHDEBLF-OAHLLOKOSA-N 0 3 361.402 2.203 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384520 552144516 /nfs/dbraw/zinc/14/45/16/552144516.db2.gz LYRMHICTUHBITL-CHWSQXEVSA-N 0 3 361.398 2.065 20 5 FEBDHN CC[C@H](O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289402014 552315373 /nfs/dbraw/zinc/31/53/73/552315373.db2.gz AKJOJDHBRUSWKL-LBPRGKRZSA-N 0 3 364.183 2.450 20 5 FEBDHN CN1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1(C)C ZINC000289618728 552350744 /nfs/dbraw/zinc/35/07/44/552350744.db2.gz JPRBLZSJFLBWJH-UHFFFAOYSA-N 0 3 369.853 2.396 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514312 552491097 /nfs/dbraw/zinc/49/10/97/552491097.db2.gz AYFOABAXOGXAHA-SWLSCSKDSA-N 0 3 355.398 2.021 20 5 FEBDHN COc1cc(CNCCc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000291611672 552643272 /nfs/dbraw/zinc/64/32/72/552643272.db2.gz RBTYUYIBNWAZII-UHFFFAOYSA-N 0 3 356.329 2.303 20 5 FEBDHN CC[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000291758311 552658873 /nfs/dbraw/zinc/65/88/73/552658873.db2.gz RCFFOMMDXKFNAB-NSHDSACASA-N 0 3 350.156 2.060 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000291957233 552678647 /nfs/dbraw/zinc/67/86/47/552678647.db2.gz NWCWCIUWQUWQRY-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000501503904 561599176 /nfs/dbraw/zinc/59/91/76/561599176.db2.gz PNIVWPGEZWNRKA-HUUCEWRRSA-N 0 3 363.462 2.426 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292698556 552750477 /nfs/dbraw/zinc/75/04/77/552750477.db2.gz SRRQPTUCLBNGOY-INIZCTEOSA-N 0 3 352.822 2.485 20 5 FEBDHN C[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000294950898 552946747 /nfs/dbraw/zinc/94/67/47/552946747.db2.gz AVICQESZCIKWCA-SJCJKPOMSA-N 0 3 364.423 2.383 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295043755 552953683 /nfs/dbraw/zinc/95/36/83/552953683.db2.gz GDJFRZFPUXASCX-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295234433 552973429 /nfs/dbraw/zinc/97/34/29/552973429.db2.gz CWIRIECLGXTNEG-AGUYFDCRSA-N 0 3 353.444 2.061 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000295356319 552992744 /nfs/dbraw/zinc/99/27/44/552992744.db2.gz ONYALDQYCKCGCK-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN CCOc1ccc(NC(=O)CN2CCN([C@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000295980415 553084550 /nfs/dbraw/zinc/08/45/50/553084550.db2.gz JDHKNJIFAKXJKW-CQSZACIVSA-N 0 3 364.446 2.348 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCCN(CCCO)C1 ZINC000296653928 553193729 /nfs/dbraw/zinc/19/37/29/553193729.db2.gz FSEDZPRYRUVJKY-LLVKDONJSA-N 0 3 356.810 2.217 20 5 FEBDHN COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296735156 553204749 /nfs/dbraw/zinc/20/47/49/553204749.db2.gz OITZNVAOLCOQDG-GUYCJALGSA-N 0 3 374.393 2.472 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503928 561643076 /nfs/dbraw/zinc/64/30/76/561643076.db2.gz JRFXBSKUZCKXQK-GJZGRUSLSA-N 0 3 369.487 2.320 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000298828546 553478245 /nfs/dbraw/zinc/47/82/45/553478245.db2.gz GUIRTWUZKAUHHO-HUUCEWRRSA-N 0 3 374.441 2.235 20 5 FEBDHN COc1ccccc1[C@H](CNC(=O)c1[n-]nc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000299456493 553565716 /nfs/dbraw/zinc/56/57/16/553565716.db2.gz WEHHOMUANFEVQM-AWEZNQCLSA-N 0 3 373.413 2.202 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000299481578 553569347 /nfs/dbraw/zinc/56/93/47/553569347.db2.gz ZLDCASFRFUTYHO-LJQANCHMSA-N 0 3 374.441 2.094 20 5 FEBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000299627172 553590990 /nfs/dbraw/zinc/59/09/90/553590990.db2.gz XRYPTCVMQLPYTM-GFCCVEGCSA-N 0 3 363.443 2.330 20 5 FEBDHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702591 553603290 /nfs/dbraw/zinc/60/32/90/553603290.db2.gz FKAUYJOKPRNYBP-ZDUSSCGKSA-N 0 3 354.476 2.144 20 5 FEBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000302549359 553720912 /nfs/dbraw/zinc/72/09/12/553720912.db2.gz PTMSRUWDCBRMHL-NSHDSACASA-N 0 3 359.373 2.478 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000303044760 553743433 /nfs/dbraw/zinc/74/34/33/553743433.db2.gz TZHMHHUTGZRMOH-LBPRGKRZSA-N 0 3 363.443 2.472 20 5 FEBDHN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCc2ccccc2C1 ZINC000505614322 561675343 /nfs/dbraw/zinc/67/53/43/561675343.db2.gz SXYSJYVYQHBDCD-INIZCTEOSA-N 0 3 357.414 2.131 20 5 FEBDHN CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N(C)C)cc1 ZINC000506029755 561687593 /nfs/dbraw/zinc/68/75/93/561687593.db2.gz DLQHSDRHZFJCFR-MRXNPFEDSA-N 0 3 357.414 2.366 20 5 FEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CCN(C)C ZINC000530880286 562427123 /nfs/dbraw/zinc/42/71/23/562427123.db2.gz GPOPYMFKVUZQTO-AWEZNQCLSA-N 0 3 368.503 2.027 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000331323769 554247020 /nfs/dbraw/zinc/24/70/20/554247020.db2.gz MPMLOSKBMIMAFF-JQWIXIFHSA-N 0 3 370.247 2.499 20 5 FEBDHN CN1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000332337589 554428508 /nfs/dbraw/zinc/42/85/08/554428508.db2.gz WDZHPFVRAZPWOT-LSDHHAIUSA-N 0 3 370.247 2.262 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1C ZINC000363160811 555042950 /nfs/dbraw/zinc/04/29/50/555042950.db2.gz KXRXRRBKPVTGFO-AWEZNQCLSA-N 0 3 353.444 2.070 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424293 555102252 /nfs/dbraw/zinc/10/22/52/555102252.db2.gz QIXYMACANZTIAS-JLSDUUJJSA-N 0 3 361.442 2.143 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424212 555102340 /nfs/dbraw/zinc/10/23/40/555102340.db2.gz PMQNMCSCHPMJJJ-HACGYAERSA-N 0 3 365.405 2.353 20 5 FEBDHN COCCCN1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000363647763 555154612 /nfs/dbraw/zinc/15/46/12/555154612.db2.gz AOIIZPGEVBFARQ-UHFFFAOYSA-N 0 3 355.822 2.433 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000363859452 555201165 /nfs/dbraw/zinc/20/11/65/555201165.db2.gz SFFZMPDOTPGART-UHFFFAOYSA-N 0 3 360.458 2.085 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000364038877 555238019 /nfs/dbraw/zinc/23/80/19/555238019.db2.gz OHMZMQXTQXIHJR-GHMZBOCLSA-N 0 3 369.805 2.310 20 5 FEBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207922 555270298 /nfs/dbraw/zinc/27/02/98/555270298.db2.gz PXEDFEOUUGJMOH-CYBMUJFWSA-N 0 3 366.849 2.147 20 5 FEBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C1 ZINC000364887153 555426023 /nfs/dbraw/zinc/42/60/23/555426023.db2.gz ZUUSKXWKOSEPMR-OAHLLOKOSA-N 0 3 355.442 2.359 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000365206677 555511163 /nfs/dbraw/zinc/51/11/63/555511163.db2.gz YPQKGMZZEDBPKY-AWEZNQCLSA-N 0 3 353.444 2.070 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1c2ccccc2CC[C@H]1CO ZINC000365219045 555513804 /nfs/dbraw/zinc/51/38/04/555513804.db2.gz HLOMIHDYTGXHPW-YRNRMSPPSA-N 0 3 372.421 2.220 20 5 FEBDHN C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[n-]3)c2)C[C@H](C)O1 ZINC000513377693 561936128 /nfs/dbraw/zinc/93/61/28/561936128.db2.gz VYFQPHKUDUPEGF-RYUDHWBXSA-N 0 3 359.386 2.179 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000366034948 555732791 /nfs/dbraw/zinc/73/27/91/555732791.db2.gz ZSUKAPFZBIWYPT-QGZVFWFLSA-N 0 3 361.446 2.227 20 5 FEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CCN2CCOCC2)CC1 ZINC000513820799 561951345 /nfs/dbraw/zinc/95/13/45/561951345.db2.gz WLMKHMDRQVQXHB-UHFFFAOYSA-N 0 3 363.458 2.408 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000366195528 555777719 /nfs/dbraw/zinc/77/77/19/555777719.db2.gz MLSAVWIIPITWNH-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000366196410 555778038 /nfs/dbraw/zinc/77/80/38/555778038.db2.gz XMUNKOPQAMCUKI-NEPJUHHUSA-N 0 3 350.394 2.109 20 5 FEBDHN CN(C)Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000514352743 561965795 /nfs/dbraw/zinc/96/57/95/561965795.db2.gz AMYAAKOFTHIYNN-UHFFFAOYSA-N 0 3 357.366 2.315 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000367372504 556030833 /nfs/dbraw/zinc/03/08/33/556030833.db2.gz SLSOYXJZNZGCHP-UHFFFAOYSA-N 0 3 367.409 2.488 20 5 FEBDHN Cc1c(NC(=O)CCN2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369069006 556496636 /nfs/dbraw/zinc/49/66/36/556496636.db2.gz YCLWCANHCOPYKN-HNNXBMFYSA-N 0 3 374.441 2.222 20 5 FEBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229928 556542516 /nfs/dbraw/zinc/54/25/16/556542516.db2.gz UJCRFVJGPITGHD-FUHWJXTLSA-N 0 3 360.414 2.295 20 5 FEBDHN CN1CCC[C@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000369412118 556594880 /nfs/dbraw/zinc/59/48/80/556594880.db2.gz PAULZJDCFOLTQZ-INIZCTEOSA-N 0 3 352.866 2.460 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517595593 562093550 /nfs/dbraw/zinc/09/35/50/562093550.db2.gz BREWBIMWCBAEOT-CABCVRRESA-N 0 3 364.446 2.393 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@H]3CCCOC3)CC2)c1 ZINC000371647930 557249950 /nfs/dbraw/zinc/24/99/50/557249950.db2.gz VETLBCQNIMYCEI-FUHWJXTLSA-N 0 3 364.442 2.473 20 5 FEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000372150445 557393148 /nfs/dbraw/zinc/39/31/48/557393148.db2.gz OMSIPFGNWNRBQA-QGZVFWFLSA-N 0 3 357.414 2.019 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000519148667 562125912 /nfs/dbraw/zinc/12/59/12/562125912.db2.gz SZJQDYRXNQSEED-CQSZACIVSA-N 0 3 360.414 2.259 20 5 FEBDHN CN1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000372842257 557573450 /nfs/dbraw/zinc/57/34/50/557573450.db2.gz VWDNCDNHTGEVRW-ZBEGNZNMSA-N 0 3 358.427 2.804 20 5 FEBDHN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000373528459 557711224 /nfs/dbraw/zinc/71/12/24/557711224.db2.gz IFAOFSAJJVJCCY-CQSZACIVSA-N 0 3 350.438 2.334 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1 ZINC000373806754 557763115 /nfs/dbraw/zinc/76/31/15/557763115.db2.gz OPJRVRXPISAOCW-RDTXWAMCSA-N 0 3 372.429 2.181 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000374180330 557838958 /nfs/dbraw/zinc/83/89/58/557838958.db2.gz ZRNPLWJSJFHDPX-SECBINFHSA-N 0 3 367.349 2.034 20 5 FEBDHN CN1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000374319342 557864652 /nfs/dbraw/zinc/86/46/52/557864652.db2.gz XQBGOMLWAGOAKR-HOTGVXAUSA-N 0 3 355.394 2.188 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521174854 562170917 /nfs/dbraw/zinc/17/09/17/562170917.db2.gz PNQUHBGMFBPTEF-AWEZNQCLSA-N 0 3 350.419 2.277 20 5 FEBDHN COc1ccc(CN(C)C)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000523324029 562211085 /nfs/dbraw/zinc/21/10/85/562211085.db2.gz PPNWVWXBPAEGMK-UHFFFAOYSA-N 0 3 361.402 2.199 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000378365095 558539698 /nfs/dbraw/zinc/53/96/98/558539698.db2.gz HUHJBWBVGRJFLA-KRWDZBQOSA-N 0 3 374.485 2.372 20 5 FEBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000523748853 562219119 /nfs/dbraw/zinc/21/91/19/562219119.db2.gz UBYLKBXQBKRJTK-UHFFFAOYSA-N 0 3 357.432 2.002 20 5 FEBDHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182442 558654702 /nfs/dbraw/zinc/65/47/02/558654702.db2.gz KRVWHBQBBWHGCU-PBHICJAKSA-N 0 3 358.442 2.043 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1C ZINC000408337381 558667804 /nfs/dbraw/zinc/66/78/04/558667804.db2.gz UNNKKQGLKAOCCK-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN COc1ccc(CSCC(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524775172 562234435 /nfs/dbraw/zinc/23/44/35/562234435.db2.gz UHPZWFCBKMFBAL-CYBMUJFWSA-N 0 3 367.471 2.295 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000524872546 562236584 /nfs/dbraw/zinc/23/65/84/562236584.db2.gz NOTFPRMCYJNFNF-STQMWFEESA-N 0 3 371.459 2.097 20 5 FEBDHN CCOc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525104999 562240572 /nfs/dbraw/zinc/24/05/72/562240572.db2.gz VCHAPVNQXXSJQC-NEPJUHHUSA-N 0 3 351.403 2.215 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000411135513 558843309 /nfs/dbraw/zinc/84/33/09/558843309.db2.gz NHJLORSXHVLBOO-UHFFFAOYSA-N 0 3 370.409 2.220 20 5 FEBDHN CO[C@](C)([C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965810 558996623 /nfs/dbraw/zinc/99/66/23/558996623.db2.gz FZJWPHNXLYZNRD-BLLLJJGKSA-N 0 3 356.444 2.162 20 5 FEBDHN CN(C)C(=O)CCN1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145336 559082785 /nfs/dbraw/zinc/08/27/85/559082785.db2.gz ZSAROJPLVAWMJI-UHFFFAOYSA-N 0 3 371.441 2.498 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413252978 559092241 /nfs/dbraw/zinc/09/22/41/559092241.db2.gz TYFVZNMHMQTASU-SFHVURJKSA-N 0 3 360.389 2.202 20 5 FEBDHN Cc1nc(NCC2(O)CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000413552144 559116047 /nfs/dbraw/zinc/11/60/47/559116047.db2.gz MZFQSPSFXSPWML-UHFFFAOYSA-N 0 3 357.414 2.132 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1F ZINC000413671896 559123924 /nfs/dbraw/zinc/12/39/24/559123924.db2.gz QARDASLGZWADSQ-GFCCVEGCSA-N 0 3 367.421 2.474 20 5 FEBDHN COc1ccc(CSCC(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416299875 559303824 /nfs/dbraw/zinc/30/38/24/559303824.db2.gz HHWYQGRSZKJBOS-UHFFFAOYSA-N 0 3 353.444 2.047 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c(C)cc1[N+](=O)[O-] ZINC000416397249 559310063 /nfs/dbraw/zinc/31/00/63/559310063.db2.gz ILTITWWYXQNJGA-AWEZNQCLSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416550681 559321123 /nfs/dbraw/zinc/32/11/23/559321123.db2.gz FXPXIUQKVDCNPZ-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN COc1ccc(CSCC(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421701460 559549896 /nfs/dbraw/zinc/54/98/96/559549896.db2.gz HREVYWDWOHBTHV-AWEZNQCLSA-N 0 3 367.471 2.389 20 5 FEBDHN Cn1ccnc1[C@H](N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489414 559630124 /nfs/dbraw/zinc/63/01/24/559630124.db2.gz WLQJUHZBYJXOGE-UONOGXRCSA-N 0 3 351.357 2.005 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423999794 559650019 /nfs/dbraw/zinc/65/00/19/559650019.db2.gz BFZRJNSGBOQQPW-OAHLLOKOSA-N 0 3 372.429 2.048 20 5 FEBDHN CCN1CCN(CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429845556 559806923 /nfs/dbraw/zinc/80/69/23/559806923.db2.gz CSIKAPBUXOOONF-UHFFFAOYSA-N 0 3 362.474 2.016 20 5 FEBDHN O=C1[C@@H](N2CCNCc3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430918244 559830205 /nfs/dbraw/zinc/83/02/05/559830205.db2.gz MEHKSQFWVXCYHB-SFHVURJKSA-N 0 3 352.394 2.310 20 5 FEBDHN O=C(NC[C@H]1CCCCN1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434348726 559898380 /nfs/dbraw/zinc/89/83/80/559898380.db2.gz DHJJSSAWQZXUCZ-MRXNPFEDSA-N 0 3 374.441 2.384 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000440079750 560004410 /nfs/dbraw/zinc/00/44/10/560004410.db2.gz PHCIBNFWRKFEEV-KRWDZBQOSA-N 0 3 371.503 2.423 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000444605074 560116596 /nfs/dbraw/zinc/11/65/96/560116596.db2.gz BKZPLAZNCXRSFC-UHFFFAOYSA-N 0 3 372.429 2.027 20 5 FEBDHN CC(C)CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448601219 560192054 /nfs/dbraw/zinc/19/20/54/560192054.db2.gz QUNAIWPATLIWRU-UHFFFAOYSA-N 0 3 357.414 2.399 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448907460 560206020 /nfs/dbraw/zinc/20/60/20/560206020.db2.gz CMIRJNJAIIKQON-UHFFFAOYSA-N 0 3 357.414 2.194 20 5 FEBDHN Cc1cccc(CCNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449097431 560215603 /nfs/dbraw/zinc/21/56/03/560215603.db2.gz DGTJFHQJCYXWJH-UHFFFAOYSA-N 0 3 363.439 2.014 20 5 FEBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450022135 560248243 /nfs/dbraw/zinc/24/82/43/560248243.db2.gz KCRUDKMOJXOWLN-OAHLLOKOSA-N 0 3 357.414 2.337 20 5 FEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CN1C1CC1 ZINC000450071312 560249899 /nfs/dbraw/zinc/24/98/99/560249899.db2.gz BBRQMQCOHBILMT-TZMCWYRMSA-N 0 3 355.398 2.136 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CN1C1CC1 ZINC000450137427 560251775 /nfs/dbraw/zinc/25/17/75/560251775.db2.gz RYHQRFBMQIURQV-AAEUAGOBSA-N 0 3 355.398 2.340 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489023 560310077 /nfs/dbraw/zinc/31/00/77/560310077.db2.gz JWNXWJZOOYIBOA-CSMYWGQOSA-N 0 3 361.398 2.089 20 5 FEBDHN CO[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826202 560330943 /nfs/dbraw/zinc/33/09/43/560330943.db2.gz FENYPTNHAAPOGG-DJIMGWMZSA-N 0 3 350.415 2.224 20 5 FEBDHN CO[C@@H]1C[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845655 560332005 /nfs/dbraw/zinc/33/20/05/560332005.db2.gz ITQOLMIEAJCNRA-RRQGHBQHSA-N 0 3 350.415 2.224 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000451916400 560337113 /nfs/dbraw/zinc/33/71/13/560337113.db2.gz KWRHEWGFTKVLDT-ZDUSSCGKSA-N 0 3 366.849 2.035 20 5 FEBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452015581 560345610 /nfs/dbraw/zinc/34/56/10/560345610.db2.gz MLZVUNDCZLCRDS-NORZTCDRSA-N 0 3 351.403 2.478 20 5 FEBDHN CN(Cc1ccccc1)C1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCC1 ZINC000452732782 560372425 /nfs/dbraw/zinc/37/24/25/560372425.db2.gz QYQJAXNNAPLLTE-UHFFFAOYSA-N 0 3 357.414 2.113 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453141045 560383740 /nfs/dbraw/zinc/38/37/40/560383740.db2.gz JBWOTLSUUSJLKH-INIZCTEOSA-N 0 3 353.444 2.041 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455145235 560471668 /nfs/dbraw/zinc/47/16/68/560471668.db2.gz RJROQZQVTAOIJP-CQSZACIVSA-N 0 3 350.419 2.180 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000455458566 560483123 /nfs/dbraw/zinc/48/31/23/560483123.db2.gz DUUMUIKXMIEKRP-HNNXBMFYSA-N 0 3 350.419 2.126 20 5 FEBDHN CNc1nc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455603021 560488755 /nfs/dbraw/zinc/48/87/55/560488755.db2.gz OBYPCSSMDXJJTC-ZDUSSCGKSA-N 0 3 357.414 2.282 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457109546 560549581 /nfs/dbraw/zinc/54/95/81/560549581.db2.gz HDMLSKCUYYNNCK-MRXNPFEDSA-N 0 3 357.414 2.335 20 5 FEBDHN CN(C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000465696433 560871226 /nfs/dbraw/zinc/87/12/26/560871226.db2.gz UMRNAJJKFIXUSZ-UHFFFAOYSA-N 0 3 368.437 2.493 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468320770 560926996 /nfs/dbraw/zinc/92/69/96/560926996.db2.gz AOVNKKSCPSAJCC-HNNXBMFYSA-N 0 3 362.430 2.242 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000468475183 560931056 /nfs/dbraw/zinc/93/10/56/560931056.db2.gz MUIQGRNQQONKPS-OAHLLOKOSA-N 0 3 363.414 2.232 20 5 FEBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)Cc2ccccc2C1 ZINC000468741877 560937627 /nfs/dbraw/zinc/93/76/27/560937627.db2.gz DRAZADQISXTHAX-UHFFFAOYSA-N 0 3 354.410 2.006 20 5 FEBDHN COCCCN1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470124439 560974844 /nfs/dbraw/zinc/97/48/44/560974844.db2.gz HVHCFOABUGFYFQ-UHFFFAOYSA-N 0 3 354.382 2.356 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616747 560986001 /nfs/dbraw/zinc/98/60/01/560986001.db2.gz DYXGSTZQQZLVDD-XQQFMLRXSA-N 0 3 373.450 2.379 20 5 FEBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccsc1 ZINC000476085329 561111084 /nfs/dbraw/zinc/11/10/84/561111084.db2.gz RDPNYQIBRPQSRP-CYBMUJFWSA-N 0 3 351.432 2.203 20 5 FEBDHN COCCN(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531883193 562459912 /nfs/dbraw/zinc/45/99/12/562459912.db2.gz CKIDXPRXUHRXMN-QGZVFWFLSA-N 0 3 372.425 2.429 20 5 FEBDHN O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532392047 562476196 /nfs/dbraw/zinc/47/61/96/562476196.db2.gz MMXKEEPQVVBXLO-UHFFFAOYSA-N 0 3 370.409 2.394 20 5 FEBDHN COc1cccc(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000534139002 562526393 /nfs/dbraw/zinc/52/63/93/562526393.db2.gz YAQNRZDMEXLSEE-MRXNPFEDSA-N 0 3 357.410 2.472 20 5 FEBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602786 562616361 /nfs/dbraw/zinc/61/63/61/562616361.db2.gz XBYMZSJXFCCGET-WBVHZDCISA-N 0 3 362.430 2.426 20 5 FEBDHN O=[N+]([O-])c1sc(CNCC2(CO)CCOCC2)cc1Br ZINC000602583646 567994034 /nfs/dbraw/zinc/99/40/34/567994034.db2.gz SJXJTFFTEBHMGO-UHFFFAOYSA-N 0 3 365.249 2.298 20 5 FEBDHN CN(CCCCN1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603417313 568098684 /nfs/dbraw/zinc/09/86/84/568098684.db2.gz DGDHNKVLANOLLM-UHFFFAOYSA-N 0 3 355.460 2.481 20 5 FEBDHN CCC[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568685791 568122572 /nfs/dbraw/zinc/12/25/72/568122572.db2.gz FQKMWKKVBIXHAA-LBPRGKRZSA-N 0 3 364.183 2.450 20 5 FEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000568840935 568232233 /nfs/dbraw/zinc/23/22/33/568232233.db2.gz NAJLXLOPNXYKMJ-YGRLFVJLSA-N 0 3 373.331 2.312 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3OCCN(C)C)no2)n1 ZINC000570602755 568490271 /nfs/dbraw/zinc/49/02/71/568490271.db2.gz BXQBYMXHRTWMLA-UHFFFAOYSA-N 0 3 372.385 2.469 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738358075 598469007 /nfs/dbraw/zinc/46/90/07/598469007.db2.gz KPONWRZFCFVSAJ-CQSZACIVSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738358075 598469009 /nfs/dbraw/zinc/46/90/09/598469009.db2.gz KPONWRZFCFVSAJ-CQSZACIVSA-N 0 3 357.418 2.230 20 5 FEBDHN C[C@H](CC[NH+](C)C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820243073 599500541 /nfs/dbraw/zinc/50/05/41/599500541.db2.gz UYTXBCUOXCRZCH-SNVBAGLBSA-N 0 3 356.390 2.075 20 5 FEBDHN C[C@H](CC[NH+](C)C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820243073 599500544 /nfs/dbraw/zinc/50/05/44/599500544.db2.gz UYTXBCUOXCRZCH-SNVBAGLBSA-N 0 3 356.390 2.075 20 5 FEBDHN C[C@H]1CCC[N@@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837289 674515154 /nfs/dbraw/zinc/51/51/54/674515154.db2.gz WVADHUVKEKSJCS-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@H]1CCC[N@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837289 674515156 /nfs/dbraw/zinc/51/51/56/674515156.db2.gz WVADHUVKEKSJCS-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN C[NH+](C)[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825849725 608376745 /nfs/dbraw/zinc/37/67/45/608376745.db2.gz LXOICJXVMPTIPR-OAHLLOKOSA-N 0 3 368.401 2.075 20 5 FEBDHN C[NH+](C)[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825849725 608376747 /nfs/dbraw/zinc/37/67/47/608376747.db2.gz LXOICJXVMPTIPR-OAHLLOKOSA-N 0 3 368.401 2.075 20 5 FEBDHN CCc1ccccc1-n1cnnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102631 674719693 /nfs/dbraw/zinc/71/96/93/674719693.db2.gz UCWDTZOPGVWGJD-NSHDSACASA-N 0 3 350.400 2.130 20 5 FEBDHN CC(COC(=O)c1ccc(F)c(I)c1)[N+](=O)[O-] ZINC000813114113 674721133 /nfs/dbraw/zinc/72/11/33/674721133.db2.gz YWFDGMOTSGNKOC-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[N+](=O)[O-] ZINC000813114609 674721358 /nfs/dbraw/zinc/72/13/58/674721358.db2.gz UGUHCHAUFUEWQF-RYUDHWBXSA-N 0 3 367.427 2.007 20 5 FEBDHN CC(COC(=O)c1ccc(F)c(I)c1)[N+](=O)[O-] ZINC000813114114 674721591 /nfs/dbraw/zinc/72/15/91/674721591.db2.gz YWFDGMOTSGNKOC-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[N+](=O)[O-] ZINC000813105259 674719953 /nfs/dbraw/zinc/71/99/53/674719953.db2.gz LEWWBSPFRJVHFG-VHSXEESVSA-N 0 3 371.187 2.010 20 5 FEBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000813105204 674720036 /nfs/dbraw/zinc/72/00/36/674720036.db2.gz KLHADBNPYGNTIJ-BXKDBHETSA-N 0 3 353.766 2.153 20 5 FEBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750303 675077821 /nfs/dbraw/zinc/07/78/21/675077821.db2.gz LDLOYDINFHOUKB-GJZGRUSLSA-N 0 3 353.806 2.183 20 5 FEBDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078722220 670592504 /nfs/dbraw/zinc/59/25/04/670592504.db2.gz DLODGRCOQNXKQK-NSHDSACASA-N 0 3 368.821 2.177 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113198632 670881276 /nfs/dbraw/zinc/88/12/76/670881276.db2.gz LATLECNAOVBVBR-ZDUSSCGKSA-N 0 3 350.375 2.497 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000176657502 672375942 /nfs/dbraw/zinc/37/59/42/672375942.db2.gz LRRMAWDPERYPNO-UHFFFAOYSA-N 0 3 361.851 2.321 20 5 FEBDHN CN1C[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590043743 672555346 /nfs/dbraw/zinc/55/53/46/672555346.db2.gz FLFNMYFYBYJWPG-IUODEOHRSA-N 0 3 358.423 2.494 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1C ZINC000590165412 672562864 /nfs/dbraw/zinc/56/28/64/672562864.db2.gz RVAOPKKDJWDKPV-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000594027225 673022427 /nfs/dbraw/zinc/02/24/27/673022427.db2.gz SSUYFQGKWYNEJL-GDBMZVCRSA-N 0 3 350.415 2.368 20 5 FEBDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594864209 673169911 /nfs/dbraw/zinc/16/99/11/673169911.db2.gz SMBYRJVOBQOANK-OAHLLOKOSA-N 0 3 369.487 2.177 20 5 FEBDHN COc1cc(CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636416 673277095 /nfs/dbraw/zinc/27/70/95/673277095.db2.gz YWLQQASJROLMEJ-CORIIIEPSA-N 0 3 356.394 2.398 20 5 FEBDHN CN(C)C(=O)N(C)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595826949 673328273 /nfs/dbraw/zinc/32/82/73/673328273.db2.gz PWMBISMSWTYGRA-OAHLLOKOSA-N 0 3 350.419 2.051 20 5 FEBDHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000539479471 673492418 /nfs/dbraw/zinc/49/24/18/673492418.db2.gz ICFPMYUMJXLIIC-DAXOMENPSA-N 0 3 366.487 2.208 20 5 FEBDHN CS[C@@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000539523872 673494457 /nfs/dbraw/zinc/49/44/57/673494457.db2.gz HIQFOXGNJNRODF-GDBMZVCRSA-N 0 3 367.471 2.176 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348629 673535406 /nfs/dbraw/zinc/53/54/06/673535406.db2.gz RNOYGKSJMYGBES-KBPBESRZSA-N 0 3 350.419 2.066 20 5 FEBDHN CCCN1CC[C@@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342409 673561313 /nfs/dbraw/zinc/56/13/13/673561313.db2.gz MUNHSHNTJVTATC-CQSZACIVSA-N 0 3 367.471 2.437 20 5 FEBDHN CC(C)[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000598571182 673585077 /nfs/dbraw/zinc/58/50/77/673585077.db2.gz HOVODIWEEORKJO-ZDUSSCGKSA-N 0 3 355.822 2.474 20 5 FEBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN1C1CCCCC1 ZINC000599125865 673635241 /nfs/dbraw/zinc/63/52/41/673635241.db2.gz DUFWYJXLDBAALU-AWEZNQCLSA-N 0 3 368.459 2.061 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000543673262 673660614 /nfs/dbraw/zinc/66/06/14/673660614.db2.gz MLWCEKATLYFQAF-OCCSQVGLSA-N 0 3 355.460 2.172 20 5 FEBDHN COc1cc(CN2CC3(CCOCC3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000599542845 673689786 /nfs/dbraw/zinc/68/97/86/673689786.db2.gz FHLUVSVJJUGGBX-OAHLLOKOSA-N 0 3 350.415 2.357 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCCN2CCCC2)c1C ZINC000544597764 673719859 /nfs/dbraw/zinc/71/98/59/673719859.db2.gz AYBJIQRWCXGONI-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN O=c1c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cccn1C(F)F ZINC000602642522 673909236 /nfs/dbraw/zinc/90/92/36/673909236.db2.gz YVQRBUQGZKNROI-UHFFFAOYSA-N 0 3 353.329 2.185 20 5 FEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000603052880 673916127 /nfs/dbraw/zinc/91/61/27/673916127.db2.gz OQPSAUZZJBUBQO-CYBMUJFWSA-N 0 3 367.471 2.283 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CCN1 ZINC000825148353 675639051 /nfs/dbraw/zinc/63/90/51/675639051.db2.gz UEGFJOVASXBXCU-AWEZNQCLSA-N 0 3 366.849 2.035 20 5 FEBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082407 680771639 /nfs/dbraw/zinc/77/16/39/680771639.db2.gz FVBGAQAQQUTNGC-ZJUUUORDSA-N 0 3 357.794 2.364 20 5 FEBDHN O=C(NC1(C2CCN(CC=C(Cl)Cl)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000154982 680421597 /nfs/dbraw/zinc/42/15/97/680421597.db2.gz QGZZARSUOIVSID-VXGBXAGGSA-N 0 3 362.257 2.331 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852721 680961479 /nfs/dbraw/zinc/96/14/79/680961479.db2.gz JEUAZRKCWZRDRR-UTUOFQBUSA-N 0 3 361.489 2.301 20 5 FEBDHN O=C1CC[C@@H](N2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000845562861 681137807 /nfs/dbraw/zinc/13/78/07/681137807.db2.gz YGZWTCFCDBUCIQ-LLVKDONJSA-N 0 3 370.812 2.178 20 5 FEBDHN CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000845817949 681154554 /nfs/dbraw/zinc/15/45/54/681154554.db2.gz MOLQEMQULGQCMY-HNNXBMFYSA-N 0 3 370.475 2.025 20 5 FEBDHN CCC(=O)N1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845873904 681158360 /nfs/dbraw/zinc/15/83/60/681158360.db2.gz FGWNUKZNMSRGEA-MKBNYLNASA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@@H](OC(=O)CC1(CS(C)(=O)=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881207 681159132 /nfs/dbraw/zinc/15/91/32/681159132.db2.gz ZKQAJINBVICTCA-IAQYHMDHSA-N 0 3 373.402 2.290 20 5 FEBDHN CCCN1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845882541 681159236 /nfs/dbraw/zinc/15/92/36/681159236.db2.gz VDRXYKSLIMNBTI-HWWQOWPSSA-N 0 3 352.362 2.334 20 5 FEBDHN Cc1c(C(=O)N(C)CCN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846612215 681268007 /nfs/dbraw/zinc/26/80/07/681268007.db2.gz LFYGGIKXULNCRG-UHFFFAOYSA-N 0 3 350.375 2.369 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776496993 681396607 /nfs/dbraw/zinc/39/66/07/681396607.db2.gz BXLBRDXDOBFDEX-DOMZBBRYSA-N 0 3 374.846 2.074 20 5 FEBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345551 682031304 /nfs/dbraw/zinc/03/13/04/682031304.db2.gz QRQMYLAEUUMHEG-AWEZNQCLSA-N 0 3 356.810 2.356 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC1 ZINC000783313739 682134422 /nfs/dbraw/zinc/13/44/22/682134422.db2.gz XWNXDSHWPWSCRQ-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917908864 685535611 /nfs/dbraw/zinc/53/56/11/685535611.db2.gz KDYDLMFIRHVIMY-NWDGAFQWSA-N 0 3 359.835 2.153 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917908864 685535612 /nfs/dbraw/zinc/53/56/12/685535612.db2.gz KDYDLMFIRHVIMY-NWDGAFQWSA-N 0 3 359.835 2.153 20 5 FEBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000858610890 682984685 /nfs/dbraw/zinc/98/46/85/682984685.db2.gz ISMVYBIFNBBYLT-UHFFFAOYSA-N 0 3 369.263 2.041 20 5 FEBDHN O=[N+]([O-])c1cc(F)cc(F)c1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000921513161 683489562 /nfs/dbraw/zinc/48/95/62/683489562.db2.gz OPXAPOFTUKTNMF-AWEZNQCLSA-N 0 3 362.354 2.068 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000930158926 683687175 /nfs/dbraw/zinc/68/71/75/683687175.db2.gz ARJUQYNBMBFDFL-HUUCEWRRSA-N 0 3 368.821 2.311 20 5 FEBDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930844184 683791982 /nfs/dbraw/zinc/79/19/82/683791982.db2.gz BQUZTIZVDOJEAE-ZNMIVQPWSA-N 0 3 357.451 2.047 20 5 FEBDHN CC(C)(O)CN1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000865997300 684058314 /nfs/dbraw/zinc/05/83/14/684058314.db2.gz XYSJXQWOGWRAJS-JTQLQIEISA-N 0 3 359.224 2.009 20 5 FEBDHN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000866068809 684068264 /nfs/dbraw/zinc/06/82/64/684068264.db2.gz ZOWWRWBIXBWGOI-GFCCVEGCSA-N 0 3 370.247 2.452 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c1 ZINC000867307587 684243630 /nfs/dbraw/zinc/24/36/30/684243630.db2.gz BVCNIMMAVSLRDS-MNOVXSKESA-N 0 3 361.851 2.270 20 5 FEBDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000924009047 684387376 /nfs/dbraw/zinc/38/73/76/684387376.db2.gz SLJGGJRLFAHWMM-CABZTGNLSA-N 0 3 371.235 2.249 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(OCCO)CCOC1 ZINC000872085894 684918489 /nfs/dbraw/zinc/91/84/89/684918489.db2.gz RSUYUULCOBNHKB-WBMJQRKESA-N 0 3 356.444 2.135 20 5 FEBDHN CC(C)N1C(=O)CC[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873544048 685154450 /nfs/dbraw/zinc/15/44/50/685154450.db2.gz AYXAROXSKBGMRR-HZUKXOBISA-N 0 3 352.362 2.475 20 5 FEBDHN CC(C)N1C(=O)CC[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873544049 685154524 /nfs/dbraw/zinc/15/45/24/685154524.db2.gz AYXAROXSKBGMRR-PJODQICGSA-N 0 3 352.362 2.475 20 5 FEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412362 688248475 /nfs/dbraw/zinc/24/84/75/688248475.db2.gz CYSYVXRVQFNNAM-CYBMUJFWSA-N 0 3 353.423 2.123 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCN1C1CCOCC1 ZINC000896521571 689884548 /nfs/dbraw/zinc/88/45/48/689884548.db2.gz JQEBOYAUJOGGAW-GFCCVEGCSA-N 0 3 371.235 2.418 20 5 FEBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(c2ccncc2)CC1 ZINC000518660957 539440356 /nfs/dbraw/zinc/44/03/56/539440356.db2.gz MKUQSZYOJDFXCD-UHFFFAOYSA-N 0 3 356.430 2.317 20 5 FEBDHN CN(C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000016599544 539634529 /nfs/dbraw/zinc/63/45/29/539634529.db2.gz AFPOFQLHUHGNTJ-INIZCTEOSA-N 0 3 371.393 2.399 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N[C@@H](C)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000027747869 539816877 /nfs/dbraw/zinc/81/68/77/539816877.db2.gz FRDJORVFMUNKPI-ZDUSSCGKSA-N 0 3 363.414 2.376 20 5 FEBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCCC2)c1 ZINC000076267217 542252192 /nfs/dbraw/zinc/25/21/92/542252192.db2.gz ZHKYAKUYFVXVLK-AWEZNQCLSA-N 0 3 358.402 2.225 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CC(C)C)CC1 ZINC000041894473 540038304 /nfs/dbraw/zinc/03/83/04/540038304.db2.gz IZZHDOPUXMPAKT-UHFFFAOYSA-N 0 3 364.446 2.206 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000042509485 540064819 /nfs/dbraw/zinc/06/48/19/540064819.db2.gz LLTLUAZWSJQPAN-SNVBAGLBSA-N 0 3 373.356 2.419 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000044533792 540130004 /nfs/dbraw/zinc/13/00/04/540130004.db2.gz FFHRVZLVRDKZEE-AWEZNQCLSA-N 0 3 357.414 2.242 20 5 FEBDHN CN(C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000045279553 540208625 /nfs/dbraw/zinc/20/86/25/540208625.db2.gz DSRHHELHIAGDCO-HNNXBMFYSA-N 0 3 367.409 2.374 20 5 FEBDHN COC(=O)c1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000055400805 540650654 /nfs/dbraw/zinc/65/06/54/540650654.db2.gz RHHLESJHIAMAIY-QWHCGFSZSA-N 0 3 363.414 2.232 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056240509 540713808 /nfs/dbraw/zinc/71/38/08/540713808.db2.gz QHPSSZBPRCWPCG-UONOGXRCSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000056786173 540745642 /nfs/dbraw/zinc/74/56/42/540745642.db2.gz DLUOZTHJOYZYPP-LSDHHAIUSA-N 0 3 363.462 2.426 20 5 FEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000065512348 541242292 /nfs/dbraw/zinc/24/22/92/541242292.db2.gz WWFABPZQJZYPJZ-MSOLQXFVSA-N 0 3 352.431 2.362 20 5 FEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cc1ccccc1 ZINC000066629909 541349962 /nfs/dbraw/zinc/34/99/62/541349962.db2.gz PGDBKCYCAPMOKD-UHFFFAOYSA-N 0 3 371.393 2.228 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000068999749 541647225 /nfs/dbraw/zinc/64/72/25/541647225.db2.gz XNFMPSCKRWAZFI-UHFFFAOYSA-N 0 3 371.441 2.224 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000071906055 541775157 /nfs/dbraw/zinc/77/51/57/541775157.db2.gz UTTAEPUVSQCSBO-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000075680216 542198036 /nfs/dbraw/zinc/19/80/36/542198036.db2.gz VDAMINKJQGEIGZ-SFHVURJKSA-N 0 3 362.405 2.246 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000077990331 542435869 /nfs/dbraw/zinc/43/58/69/542435869.db2.gz YWZHSVXHXQEQCK-UHFFFAOYSA-N 0 3 350.375 2.194 20 5 FEBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000089580616 542764956 /nfs/dbraw/zinc/76/49/56/542764956.db2.gz ZWGZDFCENHHKIJ-CYBMUJFWSA-N 0 3 354.370 2.300 20 5 FEBDHN O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000092139655 542846654 /nfs/dbraw/zinc/84/66/54/542846654.db2.gz SPEIFWDJDRVOBB-UHFFFAOYSA-N 0 3 356.382 2.174 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnn(CCN2CCCCC2)c1 ZINC000093082078 542907587 /nfs/dbraw/zinc/90/75/87/542907587.db2.gz NAIIEINOBLQHNZ-UHFFFAOYSA-N 0 3 357.414 2.458 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000093001673 542900952 /nfs/dbraw/zinc/90/09/52/542900952.db2.gz TZEQKRVTKSVUDA-AAEUAGOBSA-N 0 3 359.423 2.003 20 5 FEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093064263 542907065 /nfs/dbraw/zinc/90/70/65/542907065.db2.gz QGNOSPAUGBFLRK-UHFFFAOYSA-N 0 3 355.398 2.340 20 5 FEBDHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000103006854 543088427 /nfs/dbraw/zinc/08/84/27/543088427.db2.gz OCGLTJPMARIQMJ-ZDUSSCGKSA-N 0 3 372.381 2.137 20 5 FEBDHN CN1CC[C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000105566618 543176364 /nfs/dbraw/zinc/17/63/64/543176364.db2.gz ZTLPRHTVKRGCLF-SNVBAGLBSA-N 0 3 361.320 2.217 20 5 FEBDHN CCN1CCN([C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000106479585 543231566 /nfs/dbraw/zinc/23/15/66/543231566.db2.gz ZZRFOWVIODHPLP-QGZVFWFLSA-N 0 3 355.442 2.359 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1OC ZINC000108304993 543285956 /nfs/dbraw/zinc/28/59/56/543285956.db2.gz IZPIKRNGWZKBQR-ZDUSSCGKSA-N 0 3 363.414 2.216 20 5 FEBDHN CCOc1cc(C(=O)NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000108340718 543286810 /nfs/dbraw/zinc/28/68/10/543286810.db2.gz ZMXGUVUYMQRXKM-GFCCVEGCSA-N 0 3 351.403 2.074 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111635855 543410253 /nfs/dbraw/zinc/41/02/53/543410253.db2.gz FXXDQXUAMKRADW-ZDUSSCGKSA-N 0 3 358.398 2.041 20 5 FEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113438299 543487966 /nfs/dbraw/zinc/48/79/66/543487966.db2.gz OJVTZAFZEMCXIH-CYBMUJFWSA-N 0 3 372.425 2.431 20 5 FEBDHN CCOc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000115433013 543566991 /nfs/dbraw/zinc/56/69/91/543566991.db2.gz OTEGSMULDOSHDB-CYBMUJFWSA-N 0 3 365.430 2.416 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117253766 543624500 /nfs/dbraw/zinc/62/45/00/543624500.db2.gz FWFJZKTXUXQHON-UHFFFAOYSA-N 0 3 360.414 2.096 20 5 FEBDHN CCN1CCC(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000118981008 543662324 /nfs/dbraw/zinc/66/23/24/543662324.db2.gz QDRWSOUTZZQVPF-UHFFFAOYSA-N 0 3 363.462 2.489 20 5 FEBDHN COCCCOC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122627111 543714517 /nfs/dbraw/zinc/71/45/17/543714517.db2.gz GDGLPPHIQFZZHI-UHFFFAOYSA-N 0 3 365.430 2.441 20 5 FEBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000126832585 543958953 /nfs/dbraw/zinc/95/89/53/543958953.db2.gz WMQPCSBACOLTKN-QGZVFWFLSA-N 0 3 373.409 2.077 20 5 FEBDHN CN(C(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(OCCN2CCCC2)cc1 ZINC000128156167 544035679 /nfs/dbraw/zinc/03/56/79/544035679.db2.gz HEKWFVOGDBEDAA-UHFFFAOYSA-N 0 3 373.413 2.080 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000132136997 544220253 /nfs/dbraw/zinc/22/02/53/544220253.db2.gz IHKFIGLCVBMZNY-OAHLLOKOSA-N 0 3 350.415 2.491 20 5 FEBDHN COCCN1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000140429636 544408505 /nfs/dbraw/zinc/40/85/05/544408505.db2.gz STFAUQNUXAILBE-CYBMUJFWSA-N 0 3 350.419 2.066 20 5 FEBDHN COc1cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000150797556 544472965 /nfs/dbraw/zinc/47/29/65/544472965.db2.gz XXOQOJXYZBYSPM-UHFFFAOYSA-N 0 3 371.459 2.145 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)C[NH2+]C3)cc1C ZINC000189211450 328134903 /nfs/dbraw/zinc/13/49/03/328134903.db2.gz SNRPOWPRYXEZPF-UHFFFAOYSA-N 0 3 361.423 2.293 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000190079660 328186520 /nfs/dbraw/zinc/18/65/20/328186520.db2.gz VVCWICDKCQEHEK-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN COc1cccc(C(=O)NCc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000192507646 328322829 /nfs/dbraw/zinc/32/28/29/328322829.db2.gz UUHPILVBQDCCCN-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135894 328359204 /nfs/dbraw/zinc/35/92/04/328359204.db2.gz IFQJQQKXEUCPNR-OLZOCXBDSA-N 0 3 355.460 2.287 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509519 328481217 /nfs/dbraw/zinc/48/12/17/328481217.db2.gz ISFFYPVGSFRUML-UHFFFAOYSA-N 0 3 374.441 2.432 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000083025690 325210486 /nfs/dbraw/zinc/21/04/86/325210486.db2.gz WJTYTIUSLKUWCA-ZIAGYGMSSA-N 0 3 365.430 2.223 20 5 FEBDHN Cc1ccsc1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237775034 328528221 /nfs/dbraw/zinc/52/82/21/328528221.db2.gz MJOCBQRIOHETOU-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN N[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237841679 328530866 /nfs/dbraw/zinc/53/08/66/328530866.db2.gz FUTIGOBWPOGKFE-MRXNPFEDSA-N 0 3 354.410 2.334 20 5 FEBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000090539706 325362733 /nfs/dbraw/zinc/36/27/33/325362733.db2.gz LFPQZZGKMTWENR-LLVKDONJSA-N 0 3 350.375 2.168 20 5 FEBDHN CCC[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000090798718 325368437 /nfs/dbraw/zinc/36/84/37/325368437.db2.gz LCGLVBZBPUDGLE-HZPDHXFCSA-N 0 3 355.460 2.450 20 5 FEBDHN CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000091689202 325390157 /nfs/dbraw/zinc/39/01/57/325390157.db2.gz BCPAWCWQRBGIMF-QPGLYAHGSA-N 0 3 372.469 2.237 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC/C=C/c2ccccc2)c1 ZINC000237971513 328536194 /nfs/dbraw/zinc/53/61/94/328536194.db2.gz FPUKYHUMAZYIQT-VMPITWQZSA-N 0 3 361.423 2.176 20 5 FEBDHN CN(CCN1CCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103116285 325507090 /nfs/dbraw/zinc/50/70/90/325507090.db2.gz PTPPOUQLLSQNIM-UHFFFAOYSA-N 0 3 357.414 2.163 20 5 FEBDHN CN(CC1CCN(C)CC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103450701 325518162 /nfs/dbraw/zinc/51/81/62/325518162.db2.gz ANYONKUIQPZVGS-UHFFFAOYSA-N 0 3 371.441 2.409 20 5 FEBDHN O=C(NCCN1CCCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109985833 325681444 /nfs/dbraw/zinc/68/14/44/325681444.db2.gz CJRWFAKDLLOMTI-UHFFFAOYSA-N 0 3 358.398 2.042 20 5 FEBDHN O=C([C@H]1CCCN1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119841765 326204143 /nfs/dbraw/zinc/20/41/43/326204143.db2.gz QIMKUMPJAKWJGH-GOSISDBHSA-N 0 3 359.426 2.123 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCCN(C)C)c1 ZINC000122817201 326410208 /nfs/dbraw/zinc/41/02/08/326410208.db2.gz WEUPDPINHSZNSX-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1OCCN1CCCC1 ZINC000123717108 326440994 /nfs/dbraw/zinc/44/09/94/326440994.db2.gz ZEWUTXGEQSTANH-UHFFFAOYSA-N 0 3 373.413 2.364 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000136996107 326657126 /nfs/dbraw/zinc/65/71/26/326657126.db2.gz MULYMRUAFIBWJO-OAHLLOKOSA-N 0 3 369.425 2.481 20 5 FEBDHN CCOc1ccc([C@H](C)N[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674309 326739365 /nfs/dbraw/zinc/73/93/65/326739365.db2.gz DLZYZZWKQQRBMN-CABCVRRESA-N 0 3 350.463 2.280 20 5 FEBDHN CC[C@H]1CCCCN1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162776571 327034438 /nfs/dbraw/zinc/03/44/38/327034438.db2.gz CTYYLLNSUQIJEF-INIZCTEOSA-N 0 3 369.487 2.321 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000164275079 327067719 /nfs/dbraw/zinc/06/77/19/327067719.db2.gz WDGBWYUCHKODJR-TZMCWYRMSA-N 0 3 363.414 2.168 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCN(c2ncccn2)CC1 ZINC000164278628 327067966 /nfs/dbraw/zinc/06/79/66/327067966.db2.gz HIYWQJNLIBSUAM-INIZCTEOSA-N 0 3 370.457 2.166 20 5 FEBDHN Cc1cc(S(=O)(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000172017099 327176321 /nfs/dbraw/zinc/17/63/21/327176321.db2.gz CSIAMXXMZUMIDQ-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172604015 327210703 /nfs/dbraw/zinc/21/07/03/327210703.db2.gz ASZBMNZFCDRGQW-ZFWWWQNUSA-N 0 3 357.414 2.193 20 5 FEBDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000174008719 327301153 /nfs/dbraw/zinc/30/11/53/327301153.db2.gz HMXBCFCOJYKTHY-UHFFFAOYSA-N 0 3 368.437 2.423 20 5 FEBDHN CN(Cc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656001 327341795 /nfs/dbraw/zinc/34/17/95/327341795.db2.gz CTKHKSHJGFYEPG-CQSZACIVSA-N 0 3 369.219 2.047 20 5 FEBDHN CC(C)COC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802210 327352151 /nfs/dbraw/zinc/35/21/51/327352151.db2.gz QVKQRXHXOMNQEX-MRXNPFEDSA-N 0 3 352.431 2.472 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000175105411 327374674 /nfs/dbraw/zinc/37/46/74/327374674.db2.gz FKQVZETZNCSYIT-UHFFFAOYSA-N 0 3 355.460 2.174 20 5 FEBDHN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746890 328886416 /nfs/dbraw/zinc/88/64/16/328886416.db2.gz AMQNRHXOHAPYQK-IUCAKERBSA-N 0 3 367.349 2.032 20 5 FEBDHN COC(=O)c1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000264547540 329034673 /nfs/dbraw/zinc/03/46/73/329034673.db2.gz CEJNTKJTZLKDJU-HNNXBMFYSA-N 0 3 361.398 2.082 20 5 FEBDHN COc1cc(C(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265915633 329172274 /nfs/dbraw/zinc/17/22/74/329172274.db2.gz AHIYTCIQWXBZSI-UHFFFAOYSA-N 0 3 351.403 2.074 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920577 329172740 /nfs/dbraw/zinc/17/27/40/329172740.db2.gz CAQIJLIYKIAPRA-AAEUAGOBSA-N 0 3 351.403 2.167 20 5 FEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265951241 329175894 /nfs/dbraw/zinc/17/58/94/329175894.db2.gz MQBOSZCTGGGRHW-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986809 329179382 /nfs/dbraw/zinc/17/93/82/329179382.db2.gz KVRHHJQCCWMCBM-YPMHNXCESA-N 0 3 351.403 2.024 20 5 FEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000266205667 329200238 /nfs/dbraw/zinc/20/02/38/329200238.db2.gz KRMSAPXBILTZEX-CQSZACIVSA-N 0 3 369.425 2.190 20 5 FEBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323289 329211399 /nfs/dbraw/zinc/21/13/99/329211399.db2.gz HMPKYTXSZRKTLE-CYBMUJFWSA-N 0 3 357.414 2.363 20 5 FEBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323289 329211400 /nfs/dbraw/zinc/21/14/00/329211400.db2.gz HMPKYTXSZRKTLE-CYBMUJFWSA-N 0 3 357.414 2.363 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566487 329236873 /nfs/dbraw/zinc/23/68/73/329236873.db2.gz RLQDHQZYPFLRAC-ZIAGYGMSSA-N 0 3 363.414 2.311 20 5 FEBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267960729 329371964 /nfs/dbraw/zinc/37/19/64/329371964.db2.gz ZVHMWKYOOAKFJP-UHFFFAOYSA-N 0 3 367.402 2.253 20 5 FEBDHN CC(C)(C(=O)Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000269178026 329493717 /nfs/dbraw/zinc/49/37/17/329493717.db2.gz ZEKAVLGUBOVYTR-UHFFFAOYSA-N 0 3 369.425 2.316 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106654 329915977 /nfs/dbraw/zinc/91/59/77/329915977.db2.gz VJLRSFIQPGAVOQ-IJLUTSLNSA-N 0 3 367.402 2.108 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000478435745 561166850 /nfs/dbraw/zinc/16/68/50/561166850.db2.gz PSGPETSMAWNZML-UHFFFAOYSA-N 0 3 370.409 2.198 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000478904706 561177790 /nfs/dbraw/zinc/17/77/90/561177790.db2.gz ALBICAGYBJZGKO-UHFFFAOYSA-N 0 3 357.370 2.353 20 5 FEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000161394184 546127082 /nfs/dbraw/zinc/12/70/82/546127082.db2.gz ANNPGOIDQHCMPR-CQSZACIVSA-N 0 3 355.398 2.139 20 5 FEBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)N(C)C ZINC000165733149 546153410 /nfs/dbraw/zinc/15/34/10/546153410.db2.gz ATPXLEKRQRZCKD-UHFFFAOYSA-N 0 3 350.419 2.032 20 5 FEBDHN O=C1NC2(CCCC2)C(=O)N1CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000479600884 561193143 /nfs/dbraw/zinc/19/31/43/561193143.db2.gz MUVLFHFJGPPSJV-ALCCZGGFSA-N 0 3 358.398 2.062 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000480755687 561216007 /nfs/dbraw/zinc/21/60/07/561216007.db2.gz HIAOTADURVNYIY-UHFFFAOYSA-N 0 3 355.460 2.304 20 5 FEBDHN COc1ccc(OCCN2CCC([C@H](C)NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000481126137 561225764 /nfs/dbraw/zinc/22/57/64/561225764.db2.gz QAFVQZKKOGPLJI-ZDUSSCGKSA-N 0 3 365.430 2.219 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000179994243 547036618 /nfs/dbraw/zinc/03/66/18/547036618.db2.gz LWXCLRNIGVGBOF-CYBMUJFWSA-N 0 3 352.341 2.099 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000183311886 547636965 /nfs/dbraw/zinc/63/69/65/547636965.db2.gz JJHKWKZJCOMSEO-UHFFFAOYSA-N 0 3 371.441 2.279 20 5 FEBDHN Cc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000183893091 547735204 /nfs/dbraw/zinc/73/52/04/547735204.db2.gz WANVHTHSMDYKJV-UHFFFAOYSA-N 0 3 363.462 2.441 20 5 FEBDHN CCN(CCO)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000183924329 547740418 /nfs/dbraw/zinc/74/04/18/547740418.db2.gz MZTNWZXIMCJOTR-UHFFFAOYSA-N 0 3 372.425 2.382 20 5 FEBDHN CC(C)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184863663 547889601 /nfs/dbraw/zinc/88/96/01/547889601.db2.gz QGZARKLZJWMEKI-CYBMUJFWSA-N 0 3 357.374 2.292 20 5 FEBDHN CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[n-]n2)no1 ZINC000184863663 547889605 /nfs/dbraw/zinc/88/96/05/547889605.db2.gz QGZARKLZJWMEKI-CYBMUJFWSA-N 0 3 357.374 2.292 20 5 FEBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000185877931 548048747 /nfs/dbraw/zinc/04/87/47/548048747.db2.gz FBRVYDDLSZVHAP-DZGCQCFKSA-N 0 3 353.444 2.231 20 5 FEBDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186779171 548191253 /nfs/dbraw/zinc/19/12/53/548191253.db2.gz CAGDMCBGDOXYRM-AWEZNQCLSA-N 0 3 355.460 2.279 20 5 FEBDHN Nc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000194746395 548526730 /nfs/dbraw/zinc/52/67/30/548526730.db2.gz JQPYROALLMUKSC-OAHLLOKOSA-N 0 3 354.410 2.429 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194752031 548527797 /nfs/dbraw/zinc/52/77/97/548527797.db2.gz XZOHKPJWNWKESY-OAHLLOKOSA-N 0 3 354.410 2.429 20 5 FEBDHN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCN(C2CC2)C1 ZINC000487441103 561369975 /nfs/dbraw/zinc/36/99/75/561369975.db2.gz FJGKGDNIAPNGGI-CQSZACIVSA-N 0 3 355.398 2.089 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000246127111 549058558 /nfs/dbraw/zinc/05/85/58/549058558.db2.gz JJHDEDZOXVDWHV-GDBMZVCRSA-N 0 3 367.471 2.405 20 5 FEBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000246229182 549084473 /nfs/dbraw/zinc/08/44/73/549084473.db2.gz FPNARGLNIMPHRW-RHSMWYFYSA-N 0 3 360.414 2.077 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247199128 549298424 /nfs/dbraw/zinc/29/84/24/549298424.db2.gz WEWOTGNAPFUIQQ-ZFWWWQNUSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000247318664 549316734 /nfs/dbraw/zinc/31/67/34/549316734.db2.gz INVRBEHLYQWUNK-UONOGXRCSA-N 0 3 355.460 2.135 20 5 FEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000247342703 549322676 /nfs/dbraw/zinc/32/26/76/549322676.db2.gz JGLMBQBQNRLIIF-WCQYABFASA-N 0 3 351.403 2.024 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247654897 549368797 /nfs/dbraw/zinc/36/87/97/549368797.db2.gz WYGRROWAOAOVBP-FZMZJTMJSA-N 0 3 373.862 2.353 20 5 FEBDHN O=C(CN1CCNC[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261613282 549735002 /nfs/dbraw/zinc/73/50/02/549735002.db2.gz CCXGQYUSBAERJA-KRWDZBQOSA-N 0 3 358.373 2.319 20 5 FEBDHN Cc1nn(CCC(=O)NCCCN(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263652062 549913810 /nfs/dbraw/zinc/91/38/10/549913810.db2.gz HHQOCORTMVYWDR-UHFFFAOYSA-N 0 3 373.457 2.437 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H]2COCC[C@@H]21 ZINC000268971353 550139309 /nfs/dbraw/zinc/13/93/09/550139309.db2.gz MXFOTBAECFWNNI-JKSUJKDBSA-N 0 3 365.455 2.438 20 5 FEBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CCCc3ccccc3)CC2)n1 ZINC000270787561 550306947 /nfs/dbraw/zinc/30/69/47/550306947.db2.gz LJDAPQTXRZVSEE-UHFFFAOYSA-N 0 3 371.441 2.109 20 5 FEBDHN COC(=O)c1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000270986168 550328952 /nfs/dbraw/zinc/32/89/52/550328952.db2.gz JZZPNYKDJTVFAA-LBPRGKRZSA-N 0 3 363.414 2.184 20 5 FEBDHN CCOc1ccc([C@@H](C)NCCCN(CC)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271189851 550350666 /nfs/dbraw/zinc/35/06/66/550350666.db2.gz XNCVWXUZGGTBJW-CYBMUJFWSA-N 0 3 373.475 2.316 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272571131 550458570 /nfs/dbraw/zinc/45/85/70/550458570.db2.gz LGOUUQODUJRDGR-NHYWBVRUSA-N 0 3 352.822 2.484 20 5 FEBDHN CC(C)[C@@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000494542049 561471400 /nfs/dbraw/zinc/47/14/00/561471400.db2.gz AVGOHUSKWCPABQ-CQSZACIVSA-N 0 3 374.363 2.246 20 5 FEBDHN COCCN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273821752 550512330 /nfs/dbraw/zinc/51/23/30/550512330.db2.gz DAKPMDMYXCZXFS-UHFFFAOYSA-N 0 3 367.421 2.239 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277581331 550687373 /nfs/dbraw/zinc/68/73/73/550687373.db2.gz UCNFJJTUPVGLTC-ZDUSSCGKSA-N 0 3 366.418 2.226 20 5 FEBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278059487 550744096 /nfs/dbraw/zinc/74/40/96/550744096.db2.gz MVYASPKIMBJYTC-HXUWFJFHSA-N 0 3 353.422 2.136 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278350620 550775791 /nfs/dbraw/zinc/77/57/91/550775791.db2.gz AVKOJJNCXHWGKL-CYBMUJFWSA-N 0 3 371.384 2.304 20 5 FEBDHN CN1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278381973 550779272 /nfs/dbraw/zinc/77/92/72/550779272.db2.gz ATNIWQPZOFFNQX-UHFFFAOYSA-N 0 3 360.336 2.461 20 5 FEBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000495471498 561488656 /nfs/dbraw/zinc/48/86/56/561488656.db2.gz YJLVLJNERPWBDK-DJIMGWMZSA-N 0 3 352.431 2.063 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000281569575 551114427 /nfs/dbraw/zinc/11/44/27/551114427.db2.gz CMAMCDNVTDSUDW-OXJNMPFZSA-N 0 3 372.421 2.148 20 5 FEBDHN CN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000284641695 551596633 /nfs/dbraw/zinc/59/66/33/551596633.db2.gz OBWIAWDRKYHZEK-DZGCQCFKSA-N 0 3 357.357 2.101 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500936 561526129 /nfs/dbraw/zinc/52/61/29/561526129.db2.gz ZQBDZXCLXFULMF-UFGOTCBOSA-N 0 3 368.821 2.080 20 5 FEBDHN O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000284978308 551681649 /nfs/dbraw/zinc/68/16/49/551681649.db2.gz LZVSVYFWVRUQLK-UHFFFAOYSA-N 0 3 363.805 2.366 20 5 FEBDHN CCCN1CCC(N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286198603 551860178 /nfs/dbraw/zinc/86/01/78/551860178.db2.gz KCVVUEVAWASTPV-UHFFFAOYSA-N 0 3 350.419 2.395 20 5 FEBDHN COc1cc(N2C[C@@H](OC)C[C@H]2CN2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000286318762 551873677 /nfs/dbraw/zinc/87/36/77/551873677.db2.gz JBQBARAAWWXBOD-STQMWFEESA-N 0 3 353.394 2.432 20 5 FEBDHN CN1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000286621556 551907212 /nfs/dbraw/zinc/90/72/12/551907212.db2.gz YUIAKJCBUYAVMM-UHFFFAOYSA-N 0 3 350.448 2.037 20 5 FEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360190 552140280 /nfs/dbraw/zinc/14/02/80/552140280.db2.gz KORMROJYSOSPLV-CMPLNLGQSA-N 0 3 361.427 2.298 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000288823523 552219252 /nfs/dbraw/zinc/21/92/52/552219252.db2.gz IJERFZIRCGTCTO-IRXDYDNUSA-N 0 3 373.457 2.415 20 5 FEBDHN C[C@H](O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289465742 552326217 /nfs/dbraw/zinc/32/62/17/552326217.db2.gz IPLYIISCJFELHG-VIFPVBQESA-N 0 3 364.183 2.450 20 5 FEBDHN C[C@@H](O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289549530 552339242 /nfs/dbraw/zinc/33/92/42/552339242.db2.gz QBTYCNTVJKEUHB-MRVPVSSYSA-N 0 3 350.156 2.060 20 5 FEBDHN C[C@@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291191507 552598092 /nfs/dbraw/zinc/59/80/92/552598092.db2.gz STVRBJSFVYINJQ-DOMZBBRYSA-N 0 3 355.398 2.164 20 5 FEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCCNC2=O)cc1 ZINC000291369723 552619316 /nfs/dbraw/zinc/61/93/16/552619316.db2.gz ZVLGWNYCZWADND-ZDUSSCGKSA-N 0 3 358.402 2.062 20 5 FEBDHN C[C@H](Cc1ccc(O)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293676668 552846216 /nfs/dbraw/zinc/84/62/16/552846216.db2.gz RCRJMABOQHEALO-CYBMUJFWSA-N 0 3 364.423 2.295 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000294032015 552876792 /nfs/dbraw/zinc/87/67/92/552876792.db2.gz KCNMQZUWBUUCDU-GFCCVEGCSA-N 0 3 363.443 2.472 20 5 FEBDHN C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN(C2CC2)C1 ZINC000295231995 552973147 /nfs/dbraw/zinc/97/31/47/552973147.db2.gz BSRCVOQFRFSXDY-CQSZACIVSA-N 0 3 369.425 2.337 20 5 FEBDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000295263164 552978319 /nfs/dbraw/zinc/97/83/19/552978319.db2.gz GGVYFSKDQNZFSY-GFCCVEGCSA-N 0 3 363.414 2.168 20 5 FEBDHN Cc1nn([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000295380253 552996396 /nfs/dbraw/zinc/99/63/96/552996396.db2.gz QCMXKANPWORSPM-HNNXBMFYSA-N 0 3 371.441 2.442 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098099 553104376 /nfs/dbraw/zinc/10/43/76/553104376.db2.gz HTNHMOHJNZOZDY-HZPDHXFCSA-N 0 3 363.414 2.479 20 5 FEBDHN CCn1cc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000296109717 553106284 /nfs/dbraw/zinc/10/62/84/553106284.db2.gz QJFGKURRUYGBBK-LBPRGKRZSA-N 0 3 361.402 2.499 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@H]1CCCOC1 ZINC000502619232 561622261 /nfs/dbraw/zinc/62/22/61/561622261.db2.gz CGHIKKMYCCHHHP-AVGNSLFASA-N 0 3 351.403 2.335 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297733685 553331902 /nfs/dbraw/zinc/33/19/02/553331902.db2.gz CBLFOCOYPZNOHX-HNNXBMFYSA-N 0 3 362.430 2.222 20 5 FEBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)c1cccc(Br)c1 ZINC000298410942 553422107 /nfs/dbraw/zinc/42/21/07/553422107.db2.gz PCZKZSOJOFJPRI-ZDUSSCGKSA-N 0 3 369.219 2.219 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000299296940 553543924 /nfs/dbraw/zinc/54/39/24/553543924.db2.gz MRBNZYOSDBUDQF-ZBFHGGJFSA-N 0 3 374.441 2.235 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572232 553662205 /nfs/dbraw/zinc/66/22/05/553662205.db2.gz LETMUGXUWSEPBU-CXAGYDPISA-N 0 3 369.425 2.411 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059570 553700981 /nfs/dbraw/zinc/70/09/81/553700981.db2.gz BCPPOONAHBZHFK-UPJWGTAASA-N 0 3 370.475 2.021 20 5 FEBDHN Cc1cc(NCC(C)(C)NS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302162071 553707615 /nfs/dbraw/zinc/70/76/15/553707615.db2.gz KCBCPQGHBMPNJB-UHFFFAOYSA-N 0 3 352.416 2.191 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000330665129 554153044 /nfs/dbraw/zinc/15/30/44/554153044.db2.gz VFBXDKVMUZGPGL-UONOGXRCSA-N 0 3 357.863 2.295 20 5 FEBDHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330932017 554190573 /nfs/dbraw/zinc/19/05/73/554190573.db2.gz WPKABYKQSJMBBZ-ZDUSSCGKSA-N 0 3 370.247 2.452 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000331099936 554212581 /nfs/dbraw/zinc/21/25/81/554212581.db2.gz OAPZKCZASILAAD-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000332013174 554363384 /nfs/dbraw/zinc/36/33/84/554363384.db2.gz PMRKIGYUJSSYSB-GWCFXTLKSA-N 0 3 355.341 2.362 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1 ZINC000332316742 554423826 /nfs/dbraw/zinc/42/38/26/554423826.db2.gz YRBWYCZAVOSLRG-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000361581161 554925521 /nfs/dbraw/zinc/92/55/21/554925521.db2.gz HTEAACCBCOBVPE-MRXNPFEDSA-N 0 3 369.425 2.481 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362863657 554994217 /nfs/dbraw/zinc/99/42/17/554994217.db2.gz VXAACCWDEPNJBP-BPUTZDHNSA-N 0 3 362.430 2.127 20 5 FEBDHN Nc1c(C(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204392 555269277 /nfs/dbraw/zinc/26/92/77/555269277.db2.gz KLBQSBHBZGAXDB-KGLIPLIRSA-N 0 3 362.336 2.022 20 5 FEBDHN N[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364204259 555269308 /nfs/dbraw/zinc/26/93/08/555269308.db2.gz ZBZPWOOLASPENL-CABCVRRESA-N 0 3 359.357 2.066 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H]2Cn2cccn2)c1 ZINC000364743351 555391676 /nfs/dbraw/zinc/39/16/76/555391676.db2.gz QBJYTMYGULOYLJ-IRXDYDNUSA-N 0 3 360.414 2.086 20 5 FEBDHN C[C@@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000512658890 561911713 /nfs/dbraw/zinc/91/17/13/561911713.db2.gz ATNOINRZRPOIAP-HZSPNIEDSA-N 0 3 355.460 2.287 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1cccs1 ZINC000364965460 555451911 /nfs/dbraw/zinc/45/19/11/555451911.db2.gz UBDFUXHIWAKBKA-HZMBPMFUSA-N 0 3 361.427 2.056 20 5 FEBDHN CN1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365142114 555494069 /nfs/dbraw/zinc/49/40/69/555494069.db2.gz PBDZYNDCJYVLOV-HNNXBMFYSA-N 0 3 361.446 2.086 20 5 FEBDHN CN1C(=O)C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365204508 555510624 /nfs/dbraw/zinc/51/06/24/555510624.db2.gz RPMIMOCNVRSPLY-LNLFQRSKSA-N 0 3 373.384 2.329 20 5 FEBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000365340195 555548462 /nfs/dbraw/zinc/54/84/62/555548462.db2.gz NRWBVGDRAPOGAG-AWEZNQCLSA-N 0 3 366.849 2.100 20 5 FEBDHN Nc1nccc([C@@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366011325 555726750 /nfs/dbraw/zinc/72/67/50/555726750.db2.gz UAOXXTFOBPTBGM-CYBMUJFWSA-N 0 3 370.413 2.175 20 5 FEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCN(C2CCOCC2)CC1 ZINC000366068312 555742180 /nfs/dbraw/zinc/74/21/80/555742180.db2.gz PJFHMEMOXJHBGX-UHFFFAOYSA-N 0 3 351.378 2.061 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366192921 555776994 /nfs/dbraw/zinc/77/69/94/555776994.db2.gz PZILIIDNZSQYDD-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000366197524 555778400 /nfs/dbraw/zinc/77/84/00/555778400.db2.gz SROHAPHJRSFITM-ZDUSSCGKSA-N 0 3 365.455 2.300 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367437474 556048490 /nfs/dbraw/zinc/04/84/90/556048490.db2.gz WNMUGOGPAWJRGI-RDTXWAMCSA-N 0 3 360.458 2.260 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000367454128 556054517 /nfs/dbraw/zinc/05/45/17/556054517.db2.gz LXRQPQKLNFPLBX-WAVCKPEOSA-N 0 3 372.469 2.235 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000369172274 556525022 /nfs/dbraw/zinc/52/50/22/556525022.db2.gz AHYFAOXWJGIQPZ-UHFFFAOYSA-N 0 3 367.471 2.400 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370421093 556868220 /nfs/dbraw/zinc/86/82/20/556868220.db2.gz CMSPYQXXKUHSJJ-KRWDZBQOSA-N 0 3 360.458 2.144 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370505778 556893544 /nfs/dbraw/zinc/89/35/44/556893544.db2.gz YLKFUMHUQRJAPB-INIZCTEOSA-N 0 3 355.394 2.493 20 5 FEBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000516858640 562061060 /nfs/dbraw/zinc/06/10/60/562061060.db2.gz RJDVDQABBGPHLE-OAHLLOKOSA-N 0 3 357.414 2.348 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000518023961 562102866 /nfs/dbraw/zinc/10/28/66/562102866.db2.gz YAMANWOCSMQQJZ-CQSZACIVSA-N 0 3 362.430 2.231 20 5 FEBDHN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCN(C2CC2)C1 ZINC000518957481 562121737 /nfs/dbraw/zinc/12/17/37/562121737.db2.gz HTRKORSJPDZUFQ-KRWDZBQOSA-N 0 3 355.398 2.089 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372296553 557432673 /nfs/dbraw/zinc/43/26/73/557432673.db2.gz RJZZALRXNCJYBN-SJLPKXTDSA-N 0 3 350.415 2.226 20 5 FEBDHN C[C@H]1CCN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372349090 557447376 /nfs/dbraw/zinc/44/73/76/557447376.db2.gz ZHIHXKMWPSYHIY-KRWDZBQOSA-N 0 3 370.453 2.353 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372368673 557452029 /nfs/dbraw/zinc/45/20/29/557452029.db2.gz VZLGAFKBPBKQDF-CRAIPNDOSA-N 0 3 360.458 2.001 20 5 FEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nccc(C(F)(F)F)n3)CC2)n1 ZINC000372613665 557521131 /nfs/dbraw/zinc/52/11/31/557521131.db2.gz PCYWQWUTCNWFEB-UHFFFAOYSA-N 0 3 370.335 2.480 20 5 FEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC(=O)N(C)C1 ZINC000519759063 562142830 /nfs/dbraw/zinc/14/28/30/562142830.db2.gz MWPHEMJOJBBJRD-OAHLLOKOSA-N 0 3 358.398 2.345 20 5 FEBDHN Cc1ccccc1OC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240997 557656828 /nfs/dbraw/zinc/65/68/28/557656828.db2.gz IZIJWUOEMNHRKJ-INIZCTEOSA-N 0 3 360.414 2.177 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000374322202 557865551 /nfs/dbraw/zinc/86/55/51/557865551.db2.gz CERHSMVOMGXQIP-UHFFFAOYSA-N 0 3 369.425 2.481 20 5 FEBDHN C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883175 557945637 /nfs/dbraw/zinc/94/56/37/557945637.db2.gz RLPBFJVDSGYPBP-QFBILLFUSA-N 0 3 373.457 2.013 20 5 FEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C1CCN(C)CC1 ZINC000374914867 557950622 /nfs/dbraw/zinc/95/06/22/557950622.db2.gz OAPBZGVSURBYAZ-CQSZACIVSA-N 0 3 350.438 2.334 20 5 FEBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015805 557964367 /nfs/dbraw/zinc/96/43/67/557964367.db2.gz DRSFMHBTUPANFD-NHYWBVRUSA-N 0 3 352.822 2.213 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375038732 557968126 /nfs/dbraw/zinc/96/81/26/557968126.db2.gz LVOPSONJDKXPAF-ABAIWWIYSA-N 0 3 352.822 2.213 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887114 558094020 /nfs/dbraw/zinc/09/40/20/558094020.db2.gz BVVGGQLARIFQRV-SFHVURJKSA-N 0 3 362.474 2.074 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535186 562199499 /nfs/dbraw/zinc/19/94/99/562199499.db2.gz VBLJIABGXCLCQW-CHWSQXEVSA-N 0 3 351.451 2.177 20 5 FEBDHN CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000378100131 558480974 /nfs/dbraw/zinc/48/09/74/558480974.db2.gz KYMLDSWTOLKIMU-DVBCCOPCSA-N 0 3 372.469 2.235 20 5 FEBDHN COc1ccc(-c2ccc(CNC3(CO)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000523841167 562220710 /nfs/dbraw/zinc/22/07/10/562220710.db2.gz PYIPHNVZPHSQIG-UHFFFAOYSA-N 0 3 362.382 2.495 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1C ZINC000408059537 558641903 /nfs/dbraw/zinc/64/19/03/558641903.db2.gz QKJXXEQCYMNTKH-KBPBESRZSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408063828 558642657 /nfs/dbraw/zinc/64/26/57/558642657.db2.gz XCXVKLSFGRVBCR-ZIAGYGMSSA-N 0 3 373.862 2.462 20 5 FEBDHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183023 558654862 /nfs/dbraw/zinc/65/48/62/558654862.db2.gz OUYAGVXAVZMZCE-PBHICJAKSA-N 0 3 358.442 2.043 20 5 FEBDHN CO[C@H]1c2ccccc2C[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411889548 558983614 /nfs/dbraw/zinc/98/36/14/558983614.db2.gz CNGWIZHBMZREDQ-GMBSWORKSA-N 0 3 358.394 2.237 20 5 FEBDHN NC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000411980443 558999093 /nfs/dbraw/zinc/99/90/93/558999093.db2.gz NMBFVHDJZIBGPQ-ZWKOTPCHSA-N 0 3 355.394 2.175 20 5 FEBDHN O=C(CCN1CCC[C@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412059231 559008271 /nfs/dbraw/zinc/00/82/71/559008271.db2.gz WTYDXBSLWGOIEG-HNNXBMFYSA-N 0 3 374.441 2.400 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1F ZINC000412169206 559018103 /nfs/dbraw/zinc/01/81/03/559018103.db2.gz IATVDDRDXQVMBS-MNOVXSKESA-N 0 3 351.378 2.026 20 5 FEBDHN CNCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414959654 559197436 /nfs/dbraw/zinc/19/74/36/559197436.db2.gz XMGRUVYQTBIFKW-ZDUSSCGKSA-N 0 3 370.409 2.439 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000415422695 559234085 /nfs/dbraw/zinc/23/40/85/559234085.db2.gz FAUZGIWCCZRMGI-INIZCTEOSA-N 0 3 362.430 2.120 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415838042 559276968 /nfs/dbraw/zinc/27/69/68/559276968.db2.gz LDWPOLXTYZDMNH-INIZCTEOSA-N 0 3 370.409 2.220 20 5 FEBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416405507 559310510 /nfs/dbraw/zinc/31/05/10/559310510.db2.gz BXTXNIUKNXTFBC-SECBINFHSA-N 0 3 369.365 2.232 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000417994486 559385639 /nfs/dbraw/zinc/38/56/39/559385639.db2.gz REQSWQRGFLUBBD-LBPRGKRZSA-N 0 3 362.764 2.087 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000420470575 559489289 /nfs/dbraw/zinc/48/92/89/559489289.db2.gz XCNIRPFVACSKDE-MRXNPFEDSA-N 0 3 363.439 2.444 20 5 FEBDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019010 559520046 /nfs/dbraw/zinc/52/00/46/559520046.db2.gz NAJIDJHPUPUWIS-KBPBESRZSA-N 0 3 365.430 2.056 20 5 FEBDHN COc1ccc(-c2ccc(CN(C[C@@H](O)CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000421414649 559541845 /nfs/dbraw/zinc/54/18/45/559541845.db2.gz ZVRVSALMOJMWSW-CYBMUJFWSA-N 0 3 364.398 2.427 20 5 FEBDHN NC[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422858644 559608713 /nfs/dbraw/zinc/60/87/13/559608713.db2.gz IMTWYKMLTFXFDG-OAHLLOKOSA-N 0 3 357.360 2.427 20 5 FEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N(C)C1=O ZINC000424309601 559661290 /nfs/dbraw/zinc/66/12/90/559661290.db2.gz AVDBQUDKYQFHSH-VXGBXAGGSA-N 0 3 351.428 2.203 20 5 FEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000425479550 559704574 /nfs/dbraw/zinc/70/45/74/559704574.db2.gz PXIYJSWYJQFLCU-DGCLKSJQSA-N 0 3 359.220 2.234 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428253009 559772358 /nfs/dbraw/zinc/77/23/58/559772358.db2.gz NTIFBFXSSMNQTN-AWEZNQCLSA-N 0 3 364.446 2.347 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428555043 559778197 /nfs/dbraw/zinc/77/81/97/559778197.db2.gz WJAQREWAVVJUHH-INIZCTEOSA-N 0 3 371.393 2.422 20 5 FEBDHN C[C@H]1C[C@@H]1N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026753 559789011 /nfs/dbraw/zinc/78/90/11/559789011.db2.gz AATDBSVGTXXMFX-OHQAAIJDSA-N 0 3 372.469 2.362 20 5 FEBDHN CNCC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430696286 559826527 /nfs/dbraw/zinc/82/65/27/559826527.db2.gz PYFNEIUXWGWCIF-UHFFFAOYSA-N 0 3 374.466 2.187 20 5 FEBDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440501398 560012755 /nfs/dbraw/zinc/01/27/55/560012755.db2.gz DRIFAMPCXQCBHU-FQEVSTJZSA-N 0 3 369.421 2.270 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000440823427 560019067 /nfs/dbraw/zinc/01/90/67/560019067.db2.gz VLRASYBKMKEEAJ-FXAWDEMLSA-N 0 3 372.421 2.148 20 5 FEBDHN COc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443626416 560088802 /nfs/dbraw/zinc/08/88/02/560088802.db2.gz PZIZAUGKKPMHPP-TZMCWYRMSA-N 0 3 350.419 2.085 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785874 560092815 /nfs/dbraw/zinc/09/28/15/560092815.db2.gz YHSFWSJBGQOOMR-ZIAGYGMSSA-N 0 3 355.460 2.277 20 5 FEBDHN CC(C)(C(=O)N[C@H](CN)c1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 ZINC000447441310 560162453 /nfs/dbraw/zinc/16/24/53/560162453.db2.gz MWLXCBWTTPYFFP-QGZVFWFLSA-N 0 3 367.409 2.496 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000448936946 560207841 /nfs/dbraw/zinc/20/78/41/560207841.db2.gz OJRFVZWSCYIQRX-INIZCTEOSA-N 0 3 369.425 2.481 20 5 FEBDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449089047 560215278 /nfs/dbraw/zinc/21/52/78/560215278.db2.gz CSDZXNVNTRPAJT-ZDUSSCGKSA-N 0 3 363.439 2.224 20 5 FEBDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449752351 560238906 /nfs/dbraw/zinc/23/89/06/560238906.db2.gz CBVBQHCHZYWLGN-UKRRQHHQSA-N 0 3 352.387 2.194 20 5 FEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCN1CCCO[C@H](C)C1 ZINC000450487598 560263761 /nfs/dbraw/zinc/26/37/61/560263761.db2.gz NIQZQRAXIOAGAH-CQSZACIVSA-N 0 3 374.441 2.486 20 5 FEBDHN Cc1cc(NC[C@@H]2CCCCN2CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450617504 560268141 /nfs/dbraw/zinc/26/81/41/560268141.db2.gz RDBTZDZSCOYJDN-KRWDZBQOSA-N 0 3 371.441 2.041 20 5 FEBDHN CCOc1cc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309428 560299405 /nfs/dbraw/zinc/29/94/05/560299405.db2.gz WPCXAZDWJAFOID-ZMSDIMECSA-N 0 3 350.415 2.355 20 5 FEBDHN CCO[C@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475613 560309180 /nfs/dbraw/zinc/30/91/80/560309180.db2.gz CLWSAJFIXHVAFF-IRXDYDNUSA-N 0 3 359.426 2.421 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451499584 560310728 /nfs/dbraw/zinc/31/07/28/560310728.db2.gz MCCVPBUGMLYZTC-UHNFBRDESA-N 0 3 351.403 2.191 20 5 FEBDHN O=c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c2ccnn21 ZINC000451543463 560313635 /nfs/dbraw/zinc/31/36/35/560313635.db2.gz BVXOFUBLZMSWLE-CQSZACIVSA-N 0 3 353.382 2.310 20 5 FEBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451602573 560316867 /nfs/dbraw/zinc/31/68/67/560316867.db2.gz XFIITTHIRJSLHB-CVEARBPZSA-N 0 3 363.414 2.269 20 5 FEBDHN CC(C)[C@H](CO)[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000451602835 560316884 /nfs/dbraw/zinc/31/68/84/560316884.db2.gz WDAWCUGILKQBSM-LPHOPBHVSA-N 0 3 363.458 2.363 20 5 FEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452355161 560359859 /nfs/dbraw/zinc/35/98/59/560359859.db2.gz XBDCYQMGNAWPCO-UKRRQHHQSA-N 0 3 367.471 2.038 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000458499526 560627654 /nfs/dbraw/zinc/62/76/54/560627654.db2.gz JWABSENFBVXSKH-GOEBONIOSA-N 0 3 364.446 2.110 20 5 FEBDHN CC(C)CN(Cc1cnn(C)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459591722 560696247 /nfs/dbraw/zinc/69/62/47/560696247.db2.gz LEPPAXXNHKLPSM-QGZVFWFLSA-N 0 3 362.430 2.226 20 5 FEBDHN O=C1[C@H](N2CC3(CCC3)[C@@H]3COC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656448 560700521 /nfs/dbraw/zinc/70/05/21/560700521.db2.gz DXGJWKZQNVZBEO-BRWVUGGUSA-N 0 3 357.410 2.201 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744232 560705613 /nfs/dbraw/zinc/70/56/13/560705613.db2.gz DQMGJICKDVOLEC-KNXALSJPSA-N 0 3 363.414 2.478 20 5 FEBDHN NC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000459780785 560707925 /nfs/dbraw/zinc/70/79/25/560707925.db2.gz NGSZYIDHHHEYTB-UHFFFAOYSA-N 0 3 359.426 2.243 20 5 FEBDHN CCOc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020995 560901642 /nfs/dbraw/zinc/90/16/42/560901642.db2.gz DAIHEBCVCZFTDS-FZMZJTMJSA-N 0 3 363.414 2.215 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724297 560915995 /nfs/dbraw/zinc/91/59/95/560915995.db2.gz RWHCHRDSYYAAOE-RHSMWYFYSA-N 0 3 372.469 2.410 20 5 FEBDHN CC1CCN(CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000468435924 560930015 /nfs/dbraw/zinc/93/00/15/560930015.db2.gz OLYWLAMRVMMMKP-UHFFFAOYSA-N 0 3 362.430 2.099 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000470151734 560975614 /nfs/dbraw/zinc/97/56/14/560975614.db2.gz JUGIKMHTZRTNNN-GFCCVEGCSA-N 0 3 354.382 2.356 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000470173732 560976049 /nfs/dbraw/zinc/97/60/49/560976049.db2.gz NFEFGKZBVVJADP-XAVZPLJISA-N 0 3 372.469 2.237 20 5 FEBDHN CN(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000473908966 561060411 /nfs/dbraw/zinc/06/04/11/561060411.db2.gz HPFKHBNWGFIZPI-MRXNPFEDSA-N 0 3 355.460 2.384 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722719 561103256 /nfs/dbraw/zinc/10/32/56/561103256.db2.gz STDDJWULRFRNRM-HUUCEWRRSA-N 0 3 364.398 2.005 20 5 FEBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CC[NH+](C2CCCCC2)CC1 ZINC000530618036 562417979 /nfs/dbraw/zinc/41/79/79/562417979.db2.gz XAJFESDESOXKMK-UHFFFAOYSA-N 0 3 368.459 2.065 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000530756668 562423035 /nfs/dbraw/zinc/42/30/35/562423035.db2.gz XKNCFFCITGTLDJ-HNNXBMFYSA-N 0 3 365.478 2.099 20 5 FEBDHN CN(C)C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532734683 562486975 /nfs/dbraw/zinc/48/69/75/562486975.db2.gz JTPPPRFJFJWKHO-AWEZNQCLSA-N 0 3 372.425 2.465 20 5 FEBDHN C[C@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537092413 562585351 /nfs/dbraw/zinc/58/53/51/562585351.db2.gz WNWDLOWLQFGWQO-AWEZNQCLSA-N 0 3 364.446 2.408 20 5 FEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000568558058 568051496 /nfs/dbraw/zinc/05/14/96/568051496.db2.gz MXMOTJQMGBUOOG-QEJZJMRPSA-N 0 3 358.398 2.473 20 5 FEBDHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000569227199 568315866 /nfs/dbraw/zinc/31/58/66/568315866.db2.gz YQUVAZDSKAOULG-SFHVURJKSA-N 0 3 354.410 2.488 20 5 FEBDHN Cc1c([C@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924208 674428279 /nfs/dbraw/zinc/42/82/79/674428279.db2.gz IGUKKIWPVIXSLG-KBPBESRZSA-N 0 3 355.460 2.368 20 5 FEBDHN CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736452162 598498986 /nfs/dbraw/zinc/49/89/86/598498986.db2.gz AMRQNNWXOYMCNJ-UHFFFAOYSA-N 0 3 374.449 2.118 20 5 FEBDHN CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736452162 598498987 /nfs/dbraw/zinc/49/89/87/598498987.db2.gz AMRQNNWXOYMCNJ-UHFFFAOYSA-N 0 3 374.449 2.118 20 5 FEBDHN CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736452162 598498990 /nfs/dbraw/zinc/49/89/90/598498990.db2.gz AMRQNNWXOYMCNJ-UHFFFAOYSA-N 0 3 374.449 2.118 20 5 FEBDHN CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736452162 598498992 /nfs/dbraw/zinc/49/89/92/598498992.db2.gz AMRQNNWXOYMCNJ-UHFFFAOYSA-N 0 3 374.449 2.118 20 5 FEBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000561750025 674695571 /nfs/dbraw/zinc/69/55/71/674695571.db2.gz NEFMEYHKOALFHT-GJZGRUSLSA-N 0 3 369.487 2.221 20 5 FEBDHN CC(COC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813103907 674719624 /nfs/dbraw/zinc/71/96/24/674719624.db2.gz IAHXGZKOTXABEA-SSDOTTSWSA-N 0 3 362.239 2.247 20 5 FEBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[N+](=O)[O-] ZINC000813101432 674719060 /nfs/dbraw/zinc/71/90/60/674719060.db2.gz AABKQBDLEBEAAR-CHWSQXEVSA-N 0 3 370.427 2.072 20 5 FEBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813114875 674721350 /nfs/dbraw/zinc/72/13/50/674721350.db2.gz IHILUZSYZVMXJO-PWZJLYFZSA-N 0 3 358.753 2.207 20 5 FEBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[N+](=O)[O-] ZINC000813105261 674720185 /nfs/dbraw/zinc/72/01/85/674720185.db2.gz LEWWBSPFRJVHFG-ZJUUUORDSA-N 0 3 371.187 2.010 20 5 FEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(I)c1 ZINC000813112756 674720838 /nfs/dbraw/zinc/72/08/38/674720838.db2.gz KMMQHJQLZRHPAQ-SSDOTTSWSA-N 0 3 365.123 2.122 20 5 FEBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127974 674848321 /nfs/dbraw/zinc/84/83/21/674848321.db2.gz YLGRELJIGFTDDE-YUMQZZPRSA-N 0 3 355.338 2.018 20 5 FEBDHN CCc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000578009290 671634218 /nfs/dbraw/zinc/63/42/18/671634218.db2.gz NWDMYPIZXWJZKB-GJZGRUSLSA-N 0 3 353.444 2.062 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H](N(CC)CC)C2)cc1[N+](=O)[O-] ZINC000579705831 671754826 /nfs/dbraw/zinc/75/48/26/671754826.db2.gz QMNZOWJJQPUJQF-CQSZACIVSA-N 0 3 355.460 2.262 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000610135258 675956171 /nfs/dbraw/zinc/95/61/71/675956171.db2.gz NXGHOGJUBHNIIG-QWHCGFSZSA-N 0 3 371.459 2.097 20 5 FEBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261446 675961731 /nfs/dbraw/zinc/96/17/31/675961731.db2.gz GEVUZSWAHRXVBB-MCIONIFRSA-N 0 3 368.459 2.016 20 5 FEBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204937 676024536 /nfs/dbraw/zinc/02/45/36/676024536.db2.gz BUCLDBPVDICVHY-QWHCGFSZSA-N 0 3 351.403 2.289 20 5 FEBDHN COC1CCN(CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612483984 676084116 /nfs/dbraw/zinc/08/41/16/676084116.db2.gz PHPNODSQBHXWIK-LBPRGKRZSA-N 0 3 353.394 2.064 20 5 FEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594043870 673024838 /nfs/dbraw/zinc/02/48/38/673024838.db2.gz PBBFPQPGPVEEQK-UKRRQHHQSA-N 0 3 351.403 2.479 20 5 FEBDHN CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(CC)C1 ZINC000595131799 673198655 /nfs/dbraw/zinc/19/86/55/673198655.db2.gz OYMDBVQUPQNIOM-LBPRGKRZSA-N 0 3 368.821 2.129 20 5 FEBDHN COc1cc(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636418 673277078 /nfs/dbraw/zinc/27/70/78/673277078.db2.gz YWLQQASJROLMEJ-OSAQELSMSA-N 0 3 356.394 2.398 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786489 673290834 /nfs/dbraw/zinc/29/08/34/673290834.db2.gz QKDLRIPDNWFOQA-VXGBXAGGSA-N 0 3 350.375 2.496 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCCOCCF)c1 ZINC000596057011 673354469 /nfs/dbraw/zinc/35/44/69/673354469.db2.gz FNSSYIPGHIAFIP-UHFFFAOYSA-N 0 3 368.146 2.275 20 5 FEBDHN CCN1CCN(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000596078991 673356703 /nfs/dbraw/zinc/35/67/03/673356703.db2.gz YSSVMVUNDNPDDA-UHFFFAOYSA-N 0 3 361.471 2.768 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2csc(NCCCN3CCC(O)CC3)n2)cc1 ZINC000596085041 673356954 /nfs/dbraw/zinc/35/69/54/673356954.db2.gz GQZZMZMEKZUZBB-UHFFFAOYSA-N 0 3 362.455 2.977 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)c3ccncc32)c1 ZINC000541783845 673556357 /nfs/dbraw/zinc/55/63/57/673556357.db2.gz QCJIWDFNATZJGN-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN CCCN1CC[C@@H](NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343371 673561555 /nfs/dbraw/zinc/56/15/55/673561555.db2.gz WHVXTYWIZZZHLX-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608641 673589791 /nfs/dbraw/zinc/58/97/91/673589791.db2.gz OIFCJYBLUPXLJZ-HUUCEWRRSA-N 0 3 367.471 2.316 20 5 FEBDHN COc1cc(CNC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000599007298 673628037 /nfs/dbraw/zinc/62/80/37/673628037.db2.gz NVIKAHDKKHBYKI-JGZJWPJOSA-N 0 3 364.320 2.405 20 5 FEBDHN Cc1c([C@@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000599072178 673631382 /nfs/dbraw/zinc/63/13/82/673631382.db2.gz DQFVMWFTJXUQJV-BPLDGKMQSA-N 0 3 355.460 2.414 20 5 FEBDHN CCN1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000543208303 673632731 /nfs/dbraw/zinc/63/27/31/673632731.db2.gz SJBJYCRBKXHCEI-HOCLYGCPSA-N 0 3 369.487 2.173 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626577 673699101 /nfs/dbraw/zinc/69/91/01/673699101.db2.gz RYCNZJUOGHLYOY-XMQPUEPBSA-N 0 3 351.403 2.332 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000601437885 673862475 /nfs/dbraw/zinc/86/24/75/673862475.db2.gz WOKRHNYNWQMYOZ-UONOGXRCSA-N 0 3 353.419 2.386 20 5 FEBDHN O=C1CC[C@@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCN1 ZINC000825147190 675638765 /nfs/dbraw/zinc/63/87/65/675638765.db2.gz CSZBEHDNTUEDRV-CQSZACIVSA-N 0 3 366.849 2.035 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825644193 675662218 /nfs/dbraw/zinc/66/22/18/675662218.db2.gz XRDAGTDIALJUQE-NEPJUHHUSA-N 0 3 353.806 2.150 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825797237 675669441 /nfs/dbraw/zinc/66/94/41/675669441.db2.gz SJNBQYHJDTTZKI-SNVBAGLBSA-N 0 3 371.235 2.357 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826928292 675715993 /nfs/dbraw/zinc/71/59/93/675715993.db2.gz FASUOTUIFTUYEQ-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818766 680048246 /nfs/dbraw/zinc/04/82/46/680048246.db2.gz PIASYIYYBWSTCT-UHFFFAOYSA-N 0 3 353.423 2.171 20 5 FEBDHN Cc1cccc(Cl)c1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137631 680216846 /nfs/dbraw/zinc/21/68/46/680216846.db2.gz BAEDSZIECMGSQR-CZUORRHYSA-N 0 3 351.834 2.348 20 5 FEBDHN COc1ccc(Cl)c(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002786687 680508443 /nfs/dbraw/zinc/50/84/43/680508443.db2.gz FBGQUUPGKPUTBI-GDBMZVCRSA-N 0 3 367.833 2.094 20 5 FEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768722615 680956168 /nfs/dbraw/zinc/95/61/68/680956168.db2.gz ZCSATCBQHOJCSQ-ZDUSSCGKSA-N 0 3 353.806 2.231 20 5 FEBDHN CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000845817954 681154564 /nfs/dbraw/zinc/15/45/64/681154564.db2.gz MOLQEMQULGQCMY-OAHLLOKOSA-N 0 3 370.475 2.025 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(Cc3cscn3)CC2)CC1 ZINC000957550385 681907096 /nfs/dbraw/zinc/90/70/96/681907096.db2.gz YDXKTPYIEGYPBG-HUUCEWRRSA-N 0 3 364.471 2.013 20 5 FEBDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584645 682304863 /nfs/dbraw/zinc/30/48/63/682304863.db2.gz PJKTVMJCRTXPRT-QCZZGDTMSA-N 0 3 353.806 2.468 20 5 FEBDHN COc1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000788579664 682540550 /nfs/dbraw/zinc/54/05/50/682540550.db2.gz GPBWTFBQUSBSMJ-UHFFFAOYSA-N 0 3 366.395 2.433 20 5 FEBDHN Nc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000854496107 682558683 /nfs/dbraw/zinc/55/86/83/682558683.db2.gz DWPYFVPXVGLVFE-VHSXEESVSA-N 0 3 363.292 2.100 20 5 FEBDHN CCc1[n-]nc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000795614277 683073215 /nfs/dbraw/zinc/07/32/15/683073215.db2.gz UZMYJNNZJSXJHP-UHFFFAOYSA-N 0 3 350.350 2.308 20 5 FEBDHN CCc1[n-]nc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000795614277 683073224 /nfs/dbraw/zinc/07/32/24/683073224.db2.gz UZMYJNNZJSXJHP-UHFFFAOYSA-N 0 3 350.350 2.308 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928434155 683449888 /nfs/dbraw/zinc/44/98/88/683449888.db2.gz HMBSHPOGLRQQGT-ZANVPECISA-N 0 3 356.220 2.488 20 5 FEBDHN C[C@@H]1[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928456112 683455662 /nfs/dbraw/zinc/45/56/62/683455662.db2.gz NTEWBRURSPVMHZ-BXKDBHETSA-N 0 3 361.320 2.358 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000866338753 684093003 /nfs/dbraw/zinc/09/30/03/684093003.db2.gz XHSVYBRVCSMHNF-IAGOWNOFSA-N 0 3 368.455 2.306 20 5 FEBDHN COCCC(=O)N1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872049217 684916942 /nfs/dbraw/zinc/91/69/42/684916942.db2.gz QKTGLPMPMVTIRY-GFCCVEGCSA-N 0 3 353.394 2.412 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]12COC(=O)N1CCOC2 ZINC000872091446 684918921 /nfs/dbraw/zinc/91/89/21/684918921.db2.gz HQSKASZDUCSSGK-MEDUHNTESA-N 0 3 367.427 2.189 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]12COC(=O)N1CCOC2 ZINC000872091445 684918996 /nfs/dbraw/zinc/91/89/96/684918996.db2.gz HQSKASZDUCSSGK-BZNIZROVSA-N 0 3 367.427 2.189 20 5 FEBDHN CC(C)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000879599752 686867012 /nfs/dbraw/zinc/86/70/12/686867012.db2.gz AGQVSMDDJTVYBH-OAHLLOKOSA-N 0 3 354.838 2.459 20 5 FEBDHN COc1cc([C@@H](C)NCC2(CS(C)(=O)=O)CCC2)cc([N+](=O)[O-])c1 ZINC000903190141 690864204 /nfs/dbraw/zinc/86/42/04/690864204.db2.gz PBRBHXRKGJMKPP-GFCCVEGCSA-N 0 3 356.444 2.469 20 5 FEBDHN COc1cc([C@H](C)NCC2(CS(C)(=O)=O)CCC2)cc([N+](=O)[O-])c1 ZINC000903190142 690864240 /nfs/dbraw/zinc/86/42/40/690864240.db2.gz PBRBHXRKGJMKPP-LBPRGKRZSA-N 0 3 356.444 2.469 20 5 FEBDHN CO[C@]1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364074 690886396 /nfs/dbraw/zinc/88/63/96/690886396.db2.gz UAWKYAVMIBNVDN-SJORKVTESA-N 0 3 368.455 2.156 20 5 FEBDHN O=[N+]([O-])c1cccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984077 722105662 /nfs/dbraw/zinc/10/56/62/722105662.db2.gz RRDHSUWDEIFYLA-IRXDYDNUSA-N 0 3 369.425 2.112 20 5 FEBDHN CC(C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCN(C)CC1 ZINC000486428298 887893159 /nfs/dbraw/zinc/89/31/59/887893159.db2.gz BZXCEOZIZTWAOZ-MRXNPFEDSA-N 0 3 374.445 2.329 20 5 FEBDHN CNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029931543 539869407 /nfs/dbraw/zinc/86/94/07/539869407.db2.gz HEAYDDSMWOLRDL-UHFFFAOYSA-N 0 3 370.409 2.415 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000047145405 540292701 /nfs/dbraw/zinc/29/27/01/540292701.db2.gz KADCQILHTPEFES-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000052160302 540456453 /nfs/dbraw/zinc/45/64/53/540456453.db2.gz JLFAEZDMHACJOD-UHFFFAOYSA-N 0 3 352.391 2.448 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057702320 540809319 /nfs/dbraw/zinc/80/93/19/540809319.db2.gz JDCAANZHENSNLX-LBPRGKRZSA-N 0 3 357.414 2.208 20 5 FEBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](C)C1 ZINC000060645035 541120051 /nfs/dbraw/zinc/12/00/51/541120051.db2.gz WUQPLTCCWYUYSF-STQMWFEESA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1C ZINC000064598138 541212228 /nfs/dbraw/zinc/21/22/28/541212228.db2.gz LYEHHYBAZJWTSL-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1cc(C)cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000065977885 541276299 /nfs/dbraw/zinc/27/62/99/541276299.db2.gz LMZQTMFFLWWBDM-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000067045102 541410377 /nfs/dbraw/zinc/41/03/77/541410377.db2.gz UFIFPAWUILKMEK-AWEZNQCLSA-N 0 3 367.471 2.389 20 5 FEBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H](C)C1 ZINC000067137259 541422740 /nfs/dbraw/zinc/42/27/40/541422740.db2.gz OAQHGEYTMLERQO-KBPBESRZSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(C)CC1 ZINC000067272020 541438856 /nfs/dbraw/zinc/43/88/56/541438856.db2.gz ARZROGWUBVLZGS-CYBMUJFWSA-N 0 3 363.414 2.216 20 5 FEBDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000067398125 541457167 /nfs/dbraw/zinc/45/71/67/541457167.db2.gz JHUZDOPUHBNHOM-STQMWFEESA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000067614367 541489993 /nfs/dbraw/zinc/48/99/93/541489993.db2.gz MGZGHOQCBJDRIZ-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN CC[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000068101431 541548964 /nfs/dbraw/zinc/54/89/64/541548964.db2.gz GMJCJGUSYQGPAQ-QGZVFWFLSA-N 0 3 371.441 2.135 20 5 FEBDHN CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075766946 542202816 /nfs/dbraw/zinc/20/28/16/542202816.db2.gz XDUMSNRJFBRXRR-YPMHNXCESA-N 0 3 353.448 2.173 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000075716839 542200459 /nfs/dbraw/zinc/20/04/59/542200459.db2.gz FOKQFDQJJKEANI-OAHLLOKOSA-N 0 3 366.368 2.310 20 5 FEBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078506424 542464424 /nfs/dbraw/zinc/46/44/24/542464424.db2.gz LZXIRPLYDPHUMH-INIZCTEOSA-N 0 3 354.410 2.404 20 5 FEBDHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000072011650 221396339 /nfs/dbraw/zinc/39/63/39/221396339.db2.gz AUQHYPRAFHJUTC-UHFFFAOYSA-N 0 3 372.381 2.137 20 5 FEBDHN COCCCN1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000079443951 542518393 /nfs/dbraw/zinc/51/83/93/542518393.db2.gz IOYFGHNHORGRBC-UHFFFAOYSA-N 0 3 365.430 2.006 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2nnc[nH]2)CC1 ZINC000083424311 542697437 /nfs/dbraw/zinc/69/74/37/542697437.db2.gz QMHOUXSOGIBQQG-UHFFFAOYSA-N 0 3 358.402 2.230 20 5 FEBDHN COC(=O)c1cc(NC2CCN([C@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000089603242 542766870 /nfs/dbraw/zinc/76/68/70/542766870.db2.gz OFTARPAEVOGZMO-HNNXBMFYSA-N 0 3 363.414 2.355 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000247432506 549332872 /nfs/dbraw/zinc/33/28/72/549332872.db2.gz OUICLGADOPXIOJ-OCCSQVGLSA-N 0 3 365.430 2.414 20 5 FEBDHN CC(C)c1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000093821187 542942157 /nfs/dbraw/zinc/94/21/57/542942157.db2.gz UASFBJYLBTXVMX-GOSISDBHSA-N 0 3 374.485 2.457 20 5 FEBDHN Nc1c(C(=O)N2CCC[C@@H](N3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000107628302 543274274 /nfs/dbraw/zinc/27/42/74/543274274.db2.gz JZCPBZQQDPPDPZ-CYBMUJFWSA-N 0 3 350.394 2.407 20 5 FEBDHN COc1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000122894172 543730231 /nfs/dbraw/zinc/73/02/31/543730231.db2.gz KLFNFHOGOXZUMT-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CN(Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128177280 544036963 /nfs/dbraw/zinc/03/69/63/544036963.db2.gz KUUTURZGMNCBLS-CYBMUJFWSA-N 0 3 374.319 2.183 20 5 FEBDHN COc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000128930366 544081329 /nfs/dbraw/zinc/08/13/29/544081329.db2.gz WVDRNLZCJHMDBZ-LBPRGKRZSA-N 0 3 353.419 2.318 20 5 FEBDHN Cc1ccc(N2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000131289018 544184024 /nfs/dbraw/zinc/18/40/24/544184024.db2.gz JIMOKJDOXOPCOB-UHFFFAOYSA-N 0 3 356.426 2.277 20 5 FEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000134056246 544292507 /nfs/dbraw/zinc/29/25/07/544292507.db2.gz OOECSBMQLUCKKB-GFCCVEGCSA-N 0 3 359.423 2.053 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000135546403 544351758 /nfs/dbraw/zinc/35/17/58/544351758.db2.gz MUTINTPVOPPCAI-HNNXBMFYSA-N 0 3 359.382 2.075 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137064296 544383730 /nfs/dbraw/zinc/38/37/30/544383730.db2.gz UKXJIZGLVCDXAM-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CN1CCCCC1 ZINC000152002831 544605163 /nfs/dbraw/zinc/60/51/63/544605163.db2.gz SVICMKBHBMZUPK-AWEZNQCLSA-N 0 3 355.460 2.136 20 5 FEBDHN CCO[C@H]1C[C@H](O)C12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895419 544708622 /nfs/dbraw/zinc/70/86/22/544708622.db2.gz VRKSLJPYTDVALW-IRXDYDNUSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1C ZINC000152916788 544711021 /nfs/dbraw/zinc/71/10/21/544711021.db2.gz OLRRIKOLSCPOKV-ZBFHGGJFSA-N 0 3 367.471 2.316 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000180652346 327695798 /nfs/dbraw/zinc/69/57/98/327695798.db2.gz ZLCXXVWRIBDQKJ-UHFFFAOYSA-N 0 3 364.471 2.268 20 5 FEBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1CN1CCCCC1 ZINC000181458042 327731743 /nfs/dbraw/zinc/73/17/43/327731743.db2.gz LWZJNIVVMRKOEF-CQSZACIVSA-N 0 3 361.398 2.414 20 5 FEBDHN C[C@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021735 327757414 /nfs/dbraw/zinc/75/74/14/327757414.db2.gz ZJQTVGIYYOCFBQ-BLLLJJGKSA-N 0 3 362.430 2.336 20 5 FEBDHN Cc1cc(C(=O)NCC(=O)Nc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000183091953 327801205 /nfs/dbraw/zinc/80/12/05/327801205.db2.gz ZUIJGURVGUKZLA-UHFFFAOYSA-N 0 3 370.409 2.333 20 5 FEBDHN CCC(CC)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000189110873 328129164 /nfs/dbraw/zinc/12/91/64/328129164.db2.gz ZXBIBNGBWKCEQD-INIZCTEOSA-N 0 3 357.476 2.381 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053849 328184908 /nfs/dbraw/zinc/18/49/08/328184908.db2.gz CDJONVKUIIBKBA-UONOGXRCSA-N 0 3 355.460 2.363 20 5 FEBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000190930684 328240838 /nfs/dbraw/zinc/24/08/38/328240838.db2.gz NXHIBTLRVNLFBV-UHFFFAOYSA-N 0 3 358.402 2.283 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)n1 ZINC000191531434 328269915 /nfs/dbraw/zinc/26/99/15/328269915.db2.gz FKWSFKZMBXRAAW-AWEZNQCLSA-N 0 3 351.451 2.298 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(CCc3ccccc3)CC2)n1 ZINC000191530722 328270019 /nfs/dbraw/zinc/27/00/19/328270019.db2.gz URBDYMNKCVLVGK-UHFFFAOYSA-N 0 3 371.441 2.248 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000193283384 328366873 /nfs/dbraw/zinc/36/68/73/328366873.db2.gz BSXDWJOEAOFMLM-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080125852 325118299 /nfs/dbraw/zinc/11/82/99/325118299.db2.gz KPNUWBJZFYMIJV-INIZCTEOSA-N 0 3 364.446 2.240 20 5 FEBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000107600090 325630837 /nfs/dbraw/zinc/63/08/37/325630837.db2.gz CFSSTJAKAKAXLC-QGZVFWFLSA-N 0 3 369.425 2.481 20 5 FEBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107707989 325633884 /nfs/dbraw/zinc/63/38/84/325633884.db2.gz CWKCQEICCJHIEO-ZDUSSCGKSA-N 0 3 371.434 2.373 20 5 FEBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000116348541 326008774 /nfs/dbraw/zinc/00/87/74/326008774.db2.gz KIPWJYLTJBSQTA-DOTOQJQBSA-N 0 3 371.441 2.475 20 5 FEBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399659 326011187 /nfs/dbraw/zinc/01/11/87/326011187.db2.gz HEOLQLOZLFJUHF-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN COCCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117767927 326070332 /nfs/dbraw/zinc/07/03/32/326070332.db2.gz VIOBEBZTALHCOF-UHFFFAOYSA-N 0 3 355.822 2.018 20 5 FEBDHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000118098494 326081098 /nfs/dbraw/zinc/08/10/98/326081098.db2.gz OOADEHQQUIUCSZ-HNNXBMFYSA-N 0 3 350.419 2.016 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000120616820 326273014 /nfs/dbraw/zinc/27/30/14/326273014.db2.gz CSDYSGUWPSCBDQ-OCCSQVGLSA-N 0 3 362.430 2.091 20 5 FEBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120815268 326290206 /nfs/dbraw/zinc/29/02/06/326290206.db2.gz ABJYSTKXIOAJOW-SNVBAGLBSA-N 0 3 356.220 2.381 20 5 FEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121087806 326312310 /nfs/dbraw/zinc/31/23/10/326312310.db2.gz SRHRDORYWPLEHI-DYVFJYSZSA-N 0 3 357.414 2.193 20 5 FEBDHN CN(C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151429142 326682285 /nfs/dbraw/zinc/68/22/85/326682285.db2.gz NMZIFMIKTSGDOG-LBPRGKRZSA-N 0 3 356.220 2.062 20 5 FEBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895538 326718936 /nfs/dbraw/zinc/71/89/36/326718936.db2.gz VRKSLJPYTDVALW-IAGOWNOFSA-N 0 3 350.415 2.226 20 5 FEBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000153419158 326732403 /nfs/dbraw/zinc/73/24/03/326732403.db2.gz UKDAYYJJKAGFAD-LJQANCHMSA-N 0 3 372.425 2.381 20 5 FEBDHN CN(C)C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000155262371 326782844 /nfs/dbraw/zinc/78/28/44/326782844.db2.gz MDFCQDFALPLNTQ-MRXNPFEDSA-N 0 3 360.414 2.055 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000162388235 327024392 /nfs/dbraw/zinc/02/43/92/327024392.db2.gz SKUDAIAVNBNHDX-IBGZPJMESA-N 0 3 371.441 2.271 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164232277 327067106 /nfs/dbraw/zinc/06/71/06/327067106.db2.gz VABKQZMTMSFPDJ-GXTWGEPZSA-N 0 3 362.386 2.368 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171570113 327146008 /nfs/dbraw/zinc/14/60/08/327146008.db2.gz UYLDFFHVVNMBOQ-UHFFFAOYSA-N 0 3 351.428 2.460 20 5 FEBDHN CCc1[nH]nc(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000171803934 327162482 /nfs/dbraw/zinc/16/24/82/327162482.db2.gz XKILSXQRFQXXKY-UHFFFAOYSA-N 0 3 372.429 2.275 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172648039 327213250 /nfs/dbraw/zinc/21/32/50/327213250.db2.gz OEHLBMJEBNBEJP-UHFFFAOYSA-N 0 3 360.414 2.010 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173572344 327267778 /nfs/dbraw/zinc/26/77/78/327267778.db2.gz PCFRCCKWKCCJJT-MRXNPFEDSA-N 0 3 374.441 2.222 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173632681 327272509 /nfs/dbraw/zinc/27/25/09/327272509.db2.gz FDEMJSJLMVHDAM-HNNXBMFYSA-N 0 3 367.471 2.400 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000264543462 329034375 /nfs/dbraw/zinc/03/43/75/329034375.db2.gz BFMRDCOPFZJTBY-OAHLLOKOSA-N 0 3 353.444 2.234 20 5 FEBDHN CC[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])N(CC)CC ZINC000266825896 329263421 /nfs/dbraw/zinc/26/34/21/329263421.db2.gz LNFHBZCFDPKIQD-CQSZACIVSA-N 0 3 367.446 2.391 20 5 FEBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267063012 329287799 /nfs/dbraw/zinc/28/77/99/329287799.db2.gz JCQDMKPGHXKPEC-STQMWFEESA-N 0 3 353.423 2.026 20 5 FEBDHN CCOC(=O)c1cc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000268223747 329398504 /nfs/dbraw/zinc/39/85/04/329398504.db2.gz SSVASCSJJKGZNT-UHFFFAOYSA-N 0 3 363.414 2.073 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCOCCOCCOC ZINC000274467865 329951903 /nfs/dbraw/zinc/95/19/03/329951903.db2.gz YQHCVQSIVCAONA-UHFFFAOYSA-N 0 3 356.419 2.153 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCCC[C@H]1OC ZINC000275173891 330018399 /nfs/dbraw/zinc/01/83/99/330018399.db2.gz BYUOGDKHAYXQHG-CORIIIEPSA-N 0 3 351.403 2.478 20 5 FEBDHN CCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000367052263 330211678 /nfs/dbraw/zinc/21/16/78/330211678.db2.gz JKFHLWPDPWSNIP-YJBOKZPZSA-N 0 3 374.485 2.255 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448625025 330279435 /nfs/dbraw/zinc/27/94/35/330279435.db2.gz KVTVPAQZIJKVKR-UHFFFAOYSA-N 0 3 355.398 2.137 20 5 FEBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2cnccc21 ZINC000176976818 517947577 /nfs/dbraw/zinc/94/75/77/517947577.db2.gz FRWKKQKBMVNIIO-UHFFFAOYSA-N 0 3 368.802 2.288 20 5 FEBDHN CCOCCO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157718073 545773749 /nfs/dbraw/zinc/77/37/49/545773749.db2.gz YMDBCPZHVRKLDG-INIZCTEOSA-N 0 3 351.403 2.051 20 5 FEBDHN C[C@@H]1CCCN1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000158623179 545878801 /nfs/dbraw/zinc/87/88/01/545878801.db2.gz HVZJAPLXKVPOOF-GFCCVEGCSA-N 0 3 371.434 2.371 20 5 FEBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000162734953 546141243 /nfs/dbraw/zinc/14/12/43/546141243.db2.gz PMCAVUOVOJCLJO-UWVGGRQHSA-N 0 3 372.219 2.310 20 5 FEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172234674 546243048 /nfs/dbraw/zinc/24/30/48/546243048.db2.gz XJZOMTLKFKUSRF-AWEZNQCLSA-N 0 3 357.414 2.194 20 5 FEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000480066368 561202354 /nfs/dbraw/zinc/20/23/54/561202354.db2.gz DWEUUIABGYIGIY-UHFFFAOYSA-N 0 3 364.494 2.114 20 5 FEBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180032065 547041481 /nfs/dbraw/zinc/04/14/81/547041481.db2.gz CBLIWEDRLNMEKY-MRXNPFEDSA-N 0 3 369.487 2.273 20 5 FEBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000180498187 547118946 /nfs/dbraw/zinc/11/89/46/547118946.db2.gz VMNYDCGCRMHVBD-INIZCTEOSA-N 0 3 355.398 2.139 20 5 FEBDHN Cc1nn(CCC(=O)N[C@H](C)CN(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000182523202 547507289 /nfs/dbraw/zinc/50/72/89/547507289.db2.gz QOJFKSGTGGPNRX-CQSZACIVSA-N 0 3 373.457 2.435 20 5 FEBDHN Cc1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000183398822 547650938 /nfs/dbraw/zinc/65/09/38/547650938.db2.gz UWZFWHZUWMWREG-IBGZPJMESA-N 0 3 369.421 2.400 20 5 FEBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000183430768 547657781 /nfs/dbraw/zinc/65/77/81/547657781.db2.gz ULINSMIWMZIYAP-ZDUSSCGKSA-N 0 3 372.219 2.310 20 5 FEBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1Cc1ccccc1 ZINC000183756657 547713878 /nfs/dbraw/zinc/71/38/78/547713878.db2.gz DWAWMMGRTBIFFI-SFHVURJKSA-N 0 3 370.453 2.353 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184306418 547804484 /nfs/dbraw/zinc/80/44/84/547804484.db2.gz CEPOQBQHCSBRFT-LBPRGKRZSA-N 0 3 354.838 2.004 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCCC[C@@H]1C ZINC000193948037 548412155 /nfs/dbraw/zinc/41/21/55/548412155.db2.gz HMMDPCAURPWWCH-ZDUSSCGKSA-N 0 3 350.419 2.277 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194752045 548527785 /nfs/dbraw/zinc/52/77/85/548527785.db2.gz XZOHKPJWNWKESY-HNNXBMFYSA-N 0 3 354.410 2.429 20 5 FEBDHN COC(=O)c1cc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876077 561358753 /nfs/dbraw/zinc/35/87/53/561358753.db2.gz BLKBPLFXSIHDLR-MFKMUULPSA-N 0 3 364.402 2.294 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245525104 548939897 /nfs/dbraw/zinc/93/98/97/548939897.db2.gz OCXZLMFHEOWCFV-XQQFMLRXSA-N 0 3 363.414 2.420 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)N2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095701 561383413 /nfs/dbraw/zinc/38/34/13/561383413.db2.gz RSQVTSVLPJXBIN-DYVFJYSZSA-N 0 3 364.446 2.202 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000246114263 549055112 /nfs/dbraw/zinc/05/51/12/549055112.db2.gz INVPGAXPUYAYOQ-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000247210805 549300010 /nfs/dbraw/zinc/30/00/10/549300010.db2.gz WYANPQNHHCETDT-WCQYABFASA-N 0 3 373.862 2.353 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247300954 549314355 /nfs/dbraw/zinc/31/43/55/549314355.db2.gz OYCGNFITTNSCCM-KBXCAEBGSA-N 0 3 369.425 2.337 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247312904 549314971 /nfs/dbraw/zinc/31/49/71/549314971.db2.gz FVTOGSXVWDDAIH-GDBMZVCRSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000247687143 549371645 /nfs/dbraw/zinc/37/16/45/549371645.db2.gz SGAHHYFCFUHKHK-KYJSFNMBSA-N 0 3 360.414 2.114 20 5 FEBDHN CN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248440290 549437274 /nfs/dbraw/zinc/43/72/74/549437274.db2.gz CZBCYYMXTSJHJL-QGZVFWFLSA-N 0 3 359.426 2.403 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCO[C@@H]1C ZINC000489442789 561411528 /nfs/dbraw/zinc/41/15/28/561411528.db2.gz WOTWPFQGDSRCBA-RHSMWYFYSA-N 0 3 365.430 2.358 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCO[C@H]1C ZINC000489442794 561411531 /nfs/dbraw/zinc/41/15/31/561411531.db2.gz WOTWPFQGDSRCBA-YOEHRIQHSA-N 0 3 365.430 2.358 20 5 FEBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489508983 561413148 /nfs/dbraw/zinc/41/31/48/561413148.db2.gz KMNQJXNAQOGCBV-HIFRSBDPSA-N 0 3 354.403 2.108 20 5 FEBDHN N[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261616291 549734897 /nfs/dbraw/zinc/73/48/97/549734897.db2.gz CKEVWHLOYUMUQM-JKSUJKDBSA-N 0 3 355.394 2.317 20 5 FEBDHN CCc1ccc([C@H]2CNCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000261889129 549767216 /nfs/dbraw/zinc/76/72/16/549767216.db2.gz ZLAJELPQBCTSSW-LJQANCHMSA-N 0 3 368.437 2.403 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(N2CCCC2=O)CC1 ZINC000264175550 549988156 /nfs/dbraw/zinc/98/81/56/549988156.db2.gz JBUAKNONYHTOME-UHFFFAOYSA-N 0 3 374.441 2.319 20 5 FEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268616033 550094312 /nfs/dbraw/zinc/09/43/12/550094312.db2.gz ZLOJRQOIIPBLHI-GOSISDBHSA-N 0 3 368.437 2.400 20 5 FEBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487552 550277000 /nfs/dbraw/zinc/27/70/00/550277000.db2.gz UBQVVJRSUSAGJT-YJBOKZPZSA-N 0 3 363.414 2.269 20 5 FEBDHN C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3n[n-]cc3[N+](=O)[O-])cc2)C1 ZINC000270794340 550307530 /nfs/dbraw/zinc/30/75/30/550307530.db2.gz KQGNHRYKUOCXJK-LBPRGKRZSA-N 0 3 359.386 2.291 20 5 FEBDHN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3n[n-]cc3[N+](=O)[O-])cc2)C1 ZINC000270794340 550307533 /nfs/dbraw/zinc/30/75/33/550307533.db2.gz KQGNHRYKUOCXJK-LBPRGKRZSA-N 0 3 359.386 2.291 20 5 FEBDHN CCOc1ccc([C@H](C)NCCCN(CC)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271189855 550350861 /nfs/dbraw/zinc/35/08/61/550350861.db2.gz XNCVWXUZGGTBJW-ZDUSSCGKSA-N 0 3 373.475 2.316 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271336252 550366497 /nfs/dbraw/zinc/36/64/97/550366497.db2.gz FJGSWUGQOMRLMN-OAHLLOKOSA-N 0 3 367.409 2.271 20 5 FEBDHN CS[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271609755 550389482 /nfs/dbraw/zinc/38/94/82/550389482.db2.gz KBQZAPHZYMHEAB-MNOVXSKESA-N 0 3 361.265 2.234 20 5 FEBDHN COc1cc(CNC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405600 550444799 /nfs/dbraw/zinc/44/47/99/550444799.db2.gz KIAQMUCFCXFZCP-GFCCVEGCSA-N 0 3 359.373 2.431 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1OC ZINC000272627939 550461501 /nfs/dbraw/zinc/46/15/01/550461501.db2.gz BCGSYFDWAKAYBZ-GFCCVEGCSA-N 0 3 363.414 2.382 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274511323 550541320 /nfs/dbraw/zinc/54/13/20/550541320.db2.gz XJVDWTGKRXUZBY-OAHLLOKOSA-N 0 3 362.474 2.015 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000276642605 550580900 /nfs/dbraw/zinc/58/09/00/550580900.db2.gz VDVOGCSQHGFDDT-UHFFFAOYSA-N 0 3 368.865 2.266 20 5 FEBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000276921321 550611462 /nfs/dbraw/zinc/61/14/62/550611462.db2.gz YUALKWSHLXZRNA-DZGCQCFKSA-N 0 3 353.444 2.029 20 5 FEBDHN Cc1noc(C[C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)c2ccccc2)n1 ZINC000277161838 550638508 /nfs/dbraw/zinc/63/85/08/550638508.db2.gz KFNPTMQBZWICLC-MRXNPFEDSA-N 0 3 369.381 2.022 20 5 FEBDHN CC(C)(C)S(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000494847549 561477553 /nfs/dbraw/zinc/47/75/53/561477553.db2.gz JXMQQJOHGNOZTE-UHFFFAOYSA-N 0 3 373.450 2.416 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000278142868 550754187 /nfs/dbraw/zinc/75/41/87/550754187.db2.gz AGZQNWZPWNHCHW-VXGBXAGGSA-N 0 3 360.418 2.095 20 5 FEBDHN CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000278314463 550771907 /nfs/dbraw/zinc/77/19/07/550771907.db2.gz HKBNUDNABJBVTG-MNOVXSKESA-N 0 3 350.366 2.490 20 5 FEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279265039 550871532 /nfs/dbraw/zinc/87/15/32/550871532.db2.gz YAFUWCPUQDEHLV-ZDUSSCGKSA-N 0 3 372.425 2.401 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000279542571 550901536 /nfs/dbraw/zinc/90/15/36/550901536.db2.gz WZDZFTXQHCFRGD-UHFFFAOYSA-N 0 3 350.394 2.407 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)[C@@H]3CCOC3)cs2)c1 ZINC000280298790 550978204 /nfs/dbraw/zinc/97/82/04/550978204.db2.gz NGUVAKWTKWGMDN-KGLIPLIRSA-N 0 3 363.439 2.453 20 5 FEBDHN CCOC(=O)c1cc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281564773 551114169 /nfs/dbraw/zinc/11/41/69/551114169.db2.gz DJFZOIQAXCJNTE-UHFFFAOYSA-N 0 3 364.446 2.209 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000281732645 551136779 /nfs/dbraw/zinc/13/67/79/551136779.db2.gz XQCXTXIRADTCRZ-KRWDZBQOSA-N 0 3 367.471 2.226 20 5 FEBDHN O=C(CN[C@@H]1CCCC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282036511 551172526 /nfs/dbraw/zinc/17/25/26/551172526.db2.gz LFEJRONWMSIZSD-QGZVFWFLSA-N 0 3 359.426 2.423 20 5 FEBDHN CN(CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390049 561500047 /nfs/dbraw/zinc/50/00/47/561500047.db2.gz YNRPBGKBNVZBDU-IAGOWNOFSA-N 0 3 368.437 2.245 20 5 FEBDHN CN(C)C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000282966424 551290984 /nfs/dbraw/zinc/29/09/84/551290984.db2.gz ONVDBBCVJYMVDK-GFCCVEGCSA-N 0 3 351.794 2.014 20 5 FEBDHN CN1CCO[C@@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000283950541 551455863 /nfs/dbraw/zinc/45/58/63/551455863.db2.gz AOKXOEKFDOIOCC-DLBZAZTESA-N 0 3 372.425 2.197 20 5 FEBDHN N[C@H](CC(F)F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498204382 561518374 /nfs/dbraw/zinc/51/83/74/561518374.db2.gz HRHBHWHWYFUZMK-MRVPVSSYSA-N 0 3 370.278 2.124 20 5 FEBDHN CN1CC[C@@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000284836869 551646892 /nfs/dbraw/zinc/64/68/92/551646892.db2.gz NFCODTQVTLHHQM-SJORKVTESA-N 0 3 358.398 2.155 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285789315 551811035 /nfs/dbraw/zinc/81/10/35/551811035.db2.gz ZHUMLMRQERDYDI-YIONKMFJSA-N 0 3 367.471 2.457 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247896 551865516 /nfs/dbraw/zinc/86/55/16/551865516.db2.gz SBCFOVFFTXUEFA-TZMCWYRMSA-N 0 3 351.403 2.073 20 5 FEBDHN O=[N+]([O-])c1cccnc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286312644 551872869 /nfs/dbraw/zinc/87/28/69/551872869.db2.gz KIFQYAZUSKNWLP-GOSISDBHSA-N 0 3 367.453 2.386 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286738570 551920802 /nfs/dbraw/zinc/92/08/02/551920802.db2.gz OJBQXNHTWXJXOV-TZMCWYRMSA-N 0 3 371.434 2.290 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288380329 552143759 /nfs/dbraw/zinc/14/37/59/552143759.db2.gz VICXAFKKJMASNM-RHSMWYFYSA-N 0 3 371.441 2.269 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499897258 561560929 /nfs/dbraw/zinc/56/09/29/561560929.db2.gz QHQAXHSFJQOREL-AWEZNQCLSA-N 0 3 360.414 2.259 20 5 FEBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCN(CCc2ccccn2)CC1 ZINC000500036780 561564687 /nfs/dbraw/zinc/56/46/87/561564687.db2.gz ILJYUFLBKKGMHR-UHFFFAOYSA-N 0 3 371.441 2.107 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)C1(CO)CCC1 ZINC000292958981 552774999 /nfs/dbraw/zinc/77/49/99/552774999.db2.gz FNSZXMNGDOZCTD-KRWDZBQOSA-N 0 3 365.430 2.319 20 5 FEBDHN CCN1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000294024225 552876317 /nfs/dbraw/zinc/87/63/17/552876317.db2.gz ZNSRXHITDHAKMX-JKSUJKDBSA-N 0 3 358.398 2.011 20 5 FEBDHN CCO[C@@H](CCN(C)C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295149340 552963753 /nfs/dbraw/zinc/96/37/53/552963753.db2.gz PLGRSQOYIMSTDU-INIZCTEOSA-N 0 3 365.430 2.031 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000295294415 552982767 /nfs/dbraw/zinc/98/27/67/552982767.db2.gz JQSWDLNYNHVAEH-AGUYFDCRSA-N 0 3 353.444 2.115 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000295420732 553003985 /nfs/dbraw/zinc/00/39/85/553003985.db2.gz UZSZYIOKRHHLDM-YOGCLGLASA-N 0 3 373.862 2.460 20 5 FEBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000296557870 553179206 /nfs/dbraw/zinc/17/92/06/553179206.db2.gz NMHLPBFNRUIJOG-GFCCVEGCSA-N 0 3 368.409 2.073 20 5 FEBDHN CC(C)(C)OC(=O)N1CCO[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000296608836 553186870 /nfs/dbraw/zinc/18/68/70/553186870.db2.gz SBLQWFROMIFRIQ-OAHLLOKOSA-N 0 3 351.403 2.320 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296921595 553230122 /nfs/dbraw/zinc/23/01/22/553230122.db2.gz MKOUCDVXZXPSKX-LBPRGKRZSA-N 0 3 368.409 2.217 20 5 FEBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298056409 553378290 /nfs/dbraw/zinc/37/82/90/553378290.db2.gz IIPLAEDLCCRMCS-JTQLQIEISA-N 0 3 356.810 2.033 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000298065173 553379446 /nfs/dbraw/zinc/37/94/46/553379446.db2.gz JCWYGHPMSATLDC-INIZCTEOSA-N 0 3 374.441 2.319 20 5 FEBDHN C[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN(C2CC2)C1 ZINC000298218580 553399511 /nfs/dbraw/zinc/39/95/11/553399511.db2.gz HBQLFCQKDYVXSQ-LBPRGKRZSA-N 0 3 372.429 2.097 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000503527212 561643752 /nfs/dbraw/zinc/64/37/52/561643752.db2.gz WXBUQVYBJQQMFF-ZYHUDNBSSA-N 0 3 359.329 2.292 20 5 FEBDHN COCCN1CCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690821 553672425 /nfs/dbraw/zinc/67/24/25/553672425.db2.gz NOLXVKSOXMQJCR-NSHDSACASA-N 0 3 359.224 2.275 20 5 FEBDHN CN(C)S(=O)(=O)c1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000327953473 553792275 /nfs/dbraw/zinc/79/22/75/553792275.db2.gz SYWATEQZTBKBLO-UHFFFAOYSA-N 0 3 363.439 2.177 20 5 FEBDHN CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N(C)C)cc1 ZINC000506029754 561687561 /nfs/dbraw/zinc/68/75/61/561687561.db2.gz DLQHSDRHZFJCFR-INIZCTEOSA-N 0 3 357.414 2.366 20 5 FEBDHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087416 561750998 /nfs/dbraw/zinc/75/09/98/561750998.db2.gz JBSMYJIOYSPHNC-CQSZACIVSA-N 0 3 368.503 2.453 20 5 FEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000331099935 554212778 /nfs/dbraw/zinc/21/27/78/554212778.db2.gz OAPZKCZASILAAD-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000510541696 561838221 /nfs/dbraw/zinc/83/82/21/561838221.db2.gz TVCRGQUHQZHJBQ-KDOFPFPSSA-N 0 3 359.430 2.297 20 5 FEBDHN O=[N+]([O-])c1cc(-c2noc(C34CCCN3CCC4)n2)ccc1-n1cncn1 ZINC000351272402 554848958 /nfs/dbraw/zinc/84/89/58/554848958.db2.gz NWOUGSZBXWVBDC-UHFFFAOYSA-N 0 3 367.369 2.310 20 5 FEBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000360828546 554891561 /nfs/dbraw/zinc/89/15/61/554891561.db2.gz JBNVMTCAPXRCIC-UHFFFAOYSA-N 0 3 372.425 2.327 20 5 FEBDHN O=[N+]([O-])c1cc(CNC[C@]2(N3CCOCC3)CCCOC2)ccc1Cl ZINC000362216865 554956205 /nfs/dbraw/zinc/95/62/05/554956205.db2.gz GVGNCIYBRLCIGO-QGZVFWFLSA-N 0 3 369.849 2.219 20 5 FEBDHN COc1ccc(OCCN2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363042830 555017088 /nfs/dbraw/zinc/01/70/88/555017088.db2.gz QCKSTRGQMRVYMV-AWEZNQCLSA-N 0 3 360.414 2.280 20 5 FEBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000363100121 555030108 /nfs/dbraw/zinc/03/01/08/555030108.db2.gz WJARWTJWKBUTEQ-UHFFFAOYSA-N 0 3 360.439 2.488 20 5 FEBDHN Cc1sc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000363145916 555040001 /nfs/dbraw/zinc/04/00/01/555040001.db2.gz UDNRWCIUBGZKMV-TZMCWYRMSA-N 0 3 366.487 2.063 20 5 FEBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280870 555070299 /nfs/dbraw/zinc/07/02/99/555070299.db2.gz SKLGODHVPJTRLL-CQSZACIVSA-N 0 3 357.414 2.227 20 5 FEBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280870 555070300 /nfs/dbraw/zinc/07/03/00/555070300.db2.gz SKLGODHVPJTRLL-CQSZACIVSA-N 0 3 357.414 2.227 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000363732847 555174710 /nfs/dbraw/zinc/17/47/10/555174710.db2.gz DEHRGDDBHWNBPK-JKSUJKDBSA-N 0 3 359.357 2.309 20 5 FEBDHN C[C@H]1CN(CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229616 555274533 /nfs/dbraw/zinc/27/45/33/555274533.db2.gz NSYODBQLBYBQIH-GJZGRUSLSA-N 0 3 365.478 2.040 20 5 FEBDHN CCc1ccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000364319674 555290386 /nfs/dbraw/zinc/29/03/86/555290386.db2.gz MHONTWGRDVOTBW-KRWDZBQOSA-N 0 3 360.458 2.009 20 5 FEBDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000512481720 561907046 /nfs/dbraw/zinc/90/70/46/561907046.db2.gz XKGHPTBBIMCOLY-UHFFFAOYSA-N 0 3 364.446 2.350 20 5 FEBDHN CN(C)CCN1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364740166 555390675 /nfs/dbraw/zinc/39/06/75/555390675.db2.gz BSEUNUXQZSVJPS-UHFFFAOYSA-N 0 3 358.389 2.270 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](COC(F)F)C1 ZINC000512798644 561915928 /nfs/dbraw/zinc/91/59/28/561915928.db2.gz XYQDCSUNFPUPPF-LLVKDONJSA-N 0 3 373.356 2.493 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCc2nc(C)cn2C1 ZINC000365082273 555480983 /nfs/dbraw/zinc/48/09/83/555480983.db2.gz JQCICRUBYDFAMT-CHWSQXEVSA-N 0 3 373.413 2.040 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187257 555505811 /nfs/dbraw/zinc/50/58/11/555505811.db2.gz RGOINJBKBULRAH-VXGBXAGGSA-N 0 3 354.794 2.233 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCCN1S(C)(=O)=O ZINC000513007920 561922388 /nfs/dbraw/zinc/92/23/88/561922388.db2.gz YNOXCGWQPXGYKI-OOXMNIKJSA-N 0 3 367.471 2.402 20 5 FEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000513026663 561922935 /nfs/dbraw/zinc/92/29/35/561922935.db2.gz DXJZUBXNUXODQD-UYWPIULCSA-N 0 3 359.348 2.461 20 5 FEBDHN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000513311932 561933391 /nfs/dbraw/zinc/93/33/91/561933391.db2.gz KXKSAZJAPNTMBV-UHFFFAOYSA-N 0 3 369.381 2.473 20 5 FEBDHN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000513311932 561933392 /nfs/dbraw/zinc/93/33/92/561933392.db2.gz KXKSAZJAPNTMBV-UHFFFAOYSA-N 0 3 369.381 2.473 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000365652149 555632802 /nfs/dbraw/zinc/63/28/02/555632802.db2.gz YWNKDHBUKSAIGG-MRXNPFEDSA-N 0 3 360.458 2.003 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000513419578 561937647 /nfs/dbraw/zinc/93/76/47/561937647.db2.gz IPCKIWKSKLZIIU-ZFWWWQNUSA-N 0 3 357.414 2.443 20 5 FEBDHN CN1CCC(n2ccc(=NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000365842942 555681074 /nfs/dbraw/zinc/68/10/74/555681074.db2.gz CMWQRXPLBVRXCP-QPJJXVBHSA-N 0 3 355.398 2.710 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ncccc2C1 ZINC000367860516 556157662 /nfs/dbraw/zinc/15/76/62/556157662.db2.gz UUVGMSNHIXMUPA-UHFFFAOYSA-N 0 3 356.382 2.385 20 5 FEBDHN CC(C)Oc1nc(N2CCN(C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000515074207 561995394 /nfs/dbraw/zinc/99/53/94/561995394.db2.gz VILNXPWTCXHYTI-CQSZACIVSA-N 0 3 364.446 2.467 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368998 556289810 /nfs/dbraw/zinc/28/98/10/556289810.db2.gz GJPYICXUZZMAAF-CZUORRHYSA-N 0 3 370.409 2.397 20 5 FEBDHN Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000368368998 556289812 /nfs/dbraw/zinc/28/98/12/556289812.db2.gz GJPYICXUZZMAAF-CZUORRHYSA-N 0 3 370.409 2.397 20 5 FEBDHN CC(C)NC(=O)c1cnn2c1C[C@H](CNCc1ccccc1[N+](=O)[O-])CC2 ZINC000369052041 556490233 /nfs/dbraw/zinc/49/02/33/556490233.db2.gz RRRGALBEAUFVJI-CQSZACIVSA-N 0 3 371.441 2.282 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369069121 556496425 /nfs/dbraw/zinc/49/64/25/556496425.db2.gz YNUGSHBSLORNTA-OAHLLOKOSA-N 0 3 374.441 2.222 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369172499 556524617 /nfs/dbraw/zinc/52/46/17/556524617.db2.gz BCONSJFOLYFDSI-UHFFFAOYSA-N 0 3 367.471 2.232 20 5 FEBDHN O=C1[C@H](N2CCC[C@@H](N3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582489 556638188 /nfs/dbraw/zinc/63/81/88/556638188.db2.gz BNIJZFKZIOSGAQ-QZTJIDSGSA-N 0 3 358.442 2.260 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370083595 556776501 /nfs/dbraw/zinc/77/65/01/556776501.db2.gz RLDPLKQSQSHMBF-HZPDHXFCSA-N 0 3 360.458 2.001 20 5 FEBDHN CN(C)[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679345 562054136 /nfs/dbraw/zinc/05/41/36/562054136.db2.gz QIJATOFKKHVSTR-UKRRQHHQSA-N 0 3 365.455 2.289 20 5 FEBDHN COc1ccc(CNC(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000518378551 562110056 /nfs/dbraw/zinc/11/00/56/562110056.db2.gz YQEAEWOUPJVDNT-CYBMUJFWSA-N 0 3 350.419 2.135 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000371911711 557326706 /nfs/dbraw/zinc/32/67/06/557326706.db2.gz OZWRCJWFWWCMEB-HOTGVXAUSA-N 0 3 362.430 2.356 20 5 FEBDHN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000372353856 557448664 /nfs/dbraw/zinc/44/86/64/557448664.db2.gz BCXCKQPCZKBTBA-VQIMIIECSA-N 0 3 374.485 2.012 20 5 FEBDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000372543533 557498666 /nfs/dbraw/zinc/49/86/66/557498666.db2.gz FAAGCDCHHFTNLC-BTTYYORXSA-N 0 3 365.434 2.311 20 5 FEBDHN COc1ccc(C(=O)NCC(C)(C)N2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000520769781 562163303 /nfs/dbraw/zinc/16/33/03/562163303.db2.gz JFRALQYUSSXELK-UHFFFAOYSA-N 0 3 365.430 2.223 20 5 FEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000374906013 557949002 /nfs/dbraw/zinc/94/90/02/557949002.db2.gz BLPWOBDBDUYRHX-WMLDXEAASA-N 0 3 350.438 2.192 20 5 FEBDHN COc1ccc(CN(C)C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000375260332 558000104 /nfs/dbraw/zinc/00/01/04/558000104.db2.gz MCNWUXMBNMKYSB-UHFFFAOYSA-N 0 3 357.414 2.494 20 5 FEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375928012 558101020 /nfs/dbraw/zinc/10/10/20/558101020.db2.gz PHGDTAGDJSBIDR-KRWDZBQOSA-N 0 3 357.414 2.019 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000376345284 558160806 /nfs/dbraw/zinc/16/08/06/558160806.db2.gz ZQQSBPJLORJOQB-KBPBESRZSA-N 0 3 353.444 2.151 20 5 FEBDHN Cc1c(NC(=O)CCN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000377168177 558280305 /nfs/dbraw/zinc/28/03/05/558280305.db2.gz JPKCRNMXXGKTRW-JQFCIGGWSA-N 0 3 374.441 2.350 20 5 FEBDHN COC(=O)/C=C/c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512637 558354912 /nfs/dbraw/zinc/35/49/12/558354912.db2.gz OKZCEMHJMZAPDH-ZWXLGZMVSA-N 0 3 361.398 2.056 20 5 FEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862799 558437228 /nfs/dbraw/zinc/43/72/28/558437228.db2.gz ZEDZJFPIJLSEGV-QWRGUYRKSA-N 0 3 354.794 2.233 20 5 FEBDHN COc1cc(N2CCC[C@@H](CN3CCN(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000378086383 558477330 /nfs/dbraw/zinc/47/73/30/558477330.db2.gz JLZPDDQYGCAQNT-AWEZNQCLSA-N 0 3 366.437 2.206 20 5 FEBDHN CCc1nn(C)c(NCC2(O)CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397502903 558624503 /nfs/dbraw/zinc/62/45/03/558624503.db2.gz BGHNRFSNVGQHRB-UHFFFAOYSA-N 0 3 373.457 2.330 20 5 FEBDHN COc1ccc(CNC(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000524394046 562227836 /nfs/dbraw/zinc/22/78/36/562227836.db2.gz YDULSCSIXLGKKT-UHFFFAOYSA-N 0 3 350.419 2.229 20 5 FEBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000409711007 558715634 /nfs/dbraw/zinc/71/56/34/558715634.db2.gz JFUDCZJJAQPBFT-CYBMUJFWSA-N 0 3 355.822 2.071 20 5 FEBDHN COc1cc(C(=O)NCCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524720340 562233116 /nfs/dbraw/zinc/23/31/16/562233116.db2.gz LIDSKZHNRLNUON-SNVBAGLBSA-N 0 3 373.356 2.276 20 5 FEBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524775498 562234443 /nfs/dbraw/zinc/23/44/43/562234443.db2.gz YZQLFNOZFIZERV-JTQLQIEISA-N 0 3 356.220 2.429 20 5 FEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000411659162 558937709 /nfs/dbraw/zinc/93/77/09/558937709.db2.gz YDQXWQVSHCUYLC-CZUORRHYSA-N 0 3 351.403 2.049 20 5 FEBDHN O=C(CCN(CCCO)Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411661107 558938012 /nfs/dbraw/zinc/93/80/12/558938012.db2.gz LTMOYIIPOAXXEP-UHFFFAOYSA-N 0 3 358.398 2.203 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411907960 558986169 /nfs/dbraw/zinc/98/61/69/558986169.db2.gz CNQGTINLFIMATI-SCTDSRPQSA-N 0 3 358.394 2.142 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975083 558998253 /nfs/dbraw/zinc/99/82/53/558998253.db2.gz UWSPGPNKGYHGLU-GTNSWQLSSA-N 0 3 351.403 2.335 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCCN(C(C)C)C2)c1F ZINC000413709430 559126192 /nfs/dbraw/zinc/12/61/92/559126192.db2.gz GAAYMZNRZIGBCI-GFCCVEGCSA-N 0 3 353.394 2.274 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417168450 559350992 /nfs/dbraw/zinc/35/09/92/559350992.db2.gz ATTGROBYLAHYIG-KRWDZBQOSA-N 0 3 370.409 2.290 20 5 FEBDHN N[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418405171 559400449 /nfs/dbraw/zinc/40/04/49/559400449.db2.gz AYNWHCYGBFSJON-INIZCTEOSA-N 0 3 356.382 2.199 20 5 FEBDHN CN(C)C1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000419011546 559425367 /nfs/dbraw/zinc/42/53/67/559425367.db2.gz SNSQXPIPMWBLKM-UHFFFAOYSA-N 0 3 363.805 2.300 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000419997941 559468289 /nfs/dbraw/zinc/46/82/89/559468289.db2.gz MECCOPHQVSEWMH-OAQYLSRUSA-N 0 3 367.449 2.114 20 5 FEBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420012309 559468764 /nfs/dbraw/zinc/46/87/64/559468764.db2.gz IYLPZJPFSVLLRN-CQSZACIVSA-N 0 3 363.336 2.046 20 5 FEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420382991 559484279 /nfs/dbraw/zinc/48/42/79/559484279.db2.gz AVMBKDLPHYWLRO-IVMMDQJWSA-N 0 3 372.400 2.488 20 5 FEBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420446832 559487731 /nfs/dbraw/zinc/48/77/31/559487731.db2.gz UJYMKZAZMKKWLI-MRVPVSSYSA-N 0 3 355.338 2.019 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)c1[N+](=O)[O-] ZINC000420475528 559489583 /nfs/dbraw/zinc/48/95/83/559489583.db2.gz MPZVQFLEFDTWQO-AWEZNQCLSA-N 0 3 361.423 2.290 20 5 FEBDHN COC1([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000421037158 559521157 /nfs/dbraw/zinc/52/11/57/559521157.db2.gz RLYDAYUHGRPJKW-NSHDSACASA-N 0 3 371.821 2.360 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425498538 559705845 /nfs/dbraw/zinc/70/58/45/559705845.db2.gz GQMCEFPCKXYXAK-HNNXBMFYSA-N 0 3 358.402 2.160 20 5 FEBDHN CC(C)(NCC(=O)NC1CCN(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429271499 559794469 /nfs/dbraw/zinc/79/44/69/559794469.db2.gz LETGPIYKZGYEJJ-UHFFFAOYSA-N 0 3 360.458 2.163 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429314257 559795648 /nfs/dbraw/zinc/79/56/48/559795648.db2.gz YOZDEEBOTBLQIZ-ZDUSSCGKSA-N 0 3 371.393 2.395 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1CCO ZINC000429760169 559805069 /nfs/dbraw/zinc/80/50/69/559805069.db2.gz MNDIUXOLDYZSPW-SGMGOOAPSA-N 0 3 351.403 2.071 20 5 FEBDHN O=C(CNc1ncc(Cl)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431507668 559840463 /nfs/dbraw/zinc/84/04/63/559840463.db2.gz OFGDIMDTKJPUOL-UHFFFAOYSA-N 0 3 355.826 2.047 20 5 FEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180030 559853510 /nfs/dbraw/zinc/85/35/10/559853510.db2.gz TXRJDOXHQGUFOZ-ZFWWWQNUSA-N 0 3 372.425 2.320 20 5 FEBDHN CCN1CCN(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437488333 559965083 /nfs/dbraw/zinc/96/50/83/559965083.db2.gz CSBUYESHRRAVHO-UHFFFAOYSA-N 0 3 360.458 2.113 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000440823430 560019010 /nfs/dbraw/zinc/01/90/10/560019010.db2.gz VLRASYBKMKEEAJ-XLIONFOSSA-N 0 3 372.421 2.148 20 5 FEBDHN COc1cc(C(=O)NCCN2CCCC(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000444604788 560116589 /nfs/dbraw/zinc/11/65/89/560116589.db2.gz BORHRXYUJTUUCD-UHFFFAOYSA-N 0 3 365.430 2.464 20 5 FEBDHN COc1ccc(C2(NCCn3cc([N+](=O)[O-])cn3)CCOCC2)cc1F ZINC000444802876 560121256 /nfs/dbraw/zinc/12/12/56/560121256.db2.gz FCHKZDQQSSCNKC-UHFFFAOYSA-N 0 3 364.377 2.235 20 5 FEBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447812717 560169788 /nfs/dbraw/zinc/16/97/88/560169788.db2.gz SIXWYJHMPVVZMP-HNNXBMFYSA-N 0 3 370.475 2.035 20 5 FEBDHN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CN2CCC1CC2 ZINC000448957558 560208719 /nfs/dbraw/zinc/20/87/19/560208719.db2.gz WJVPVPZWNQOLNS-KRWDZBQOSA-N 0 3 355.398 2.151 20 5 FEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000449279924 560223436 /nfs/dbraw/zinc/22/34/36/560223436.db2.gz UPCZRQGBEVUQAW-DZGCQCFKSA-N 0 3 357.414 2.045 20 5 FEBDHN CCN(C)C(=O)[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000451308668 560299476 /nfs/dbraw/zinc/29/94/76/560299476.db2.gz DFCRTHORKUSDLP-KRWDZBQOSA-N 0 3 364.446 2.324 20 5 FEBDHN CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1C ZINC000451381125 560303562 /nfs/dbraw/zinc/30/35/62/560303562.db2.gz YZCOOIIDJLMRRO-QGZVFWFLSA-N 0 3 357.414 2.397 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489026 560310014 /nfs/dbraw/zinc/31/00/14/560310014.db2.gz JWNXWJZOOYIBOA-VUCTXSBTSA-N 0 3 361.398 2.089 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CN2CCCC2)cc1C ZINC000452081970 560350029 /nfs/dbraw/zinc/35/00/29/560350029.db2.gz JLUSYXYSTJPFTD-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452356742 560359957 /nfs/dbraw/zinc/35/99/57/560359957.db2.gz DERAJSOHLYRKNF-AWEZNQCLSA-N 0 3 367.471 2.283 20 5 FEBDHN CNc1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456055698 560505723 /nfs/dbraw/zinc/50/57/23/560505723.db2.gz TVXGZIKUWWYWMO-HIFRSBDPSA-N 0 3 369.425 2.424 20 5 FEBDHN CC1(C)CCCN1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457049073 560545663 /nfs/dbraw/zinc/54/56/63/560545663.db2.gz FNLGWHWKLIMPHE-UHFFFAOYSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1ccc(CSCC(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000466568745 560890170 /nfs/dbraw/zinc/89/01/70/560890170.db2.gz WSKBCFXGMWMOHF-UHFFFAOYSA-N 0 3 367.471 2.437 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000467072576 560902841 /nfs/dbraw/zinc/90/28/41/560902841.db2.gz BQNLHEJMNZJMSJ-JQWIXIFHSA-N 0 3 361.489 2.458 20 5 FEBDHN CCOc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000470083330 560973904 /nfs/dbraw/zinc/97/39/04/560973904.db2.gz VEOJBBFMCISBKV-AWEZNQCLSA-N 0 3 365.430 2.224 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000475753410 561104462 /nfs/dbraw/zinc/10/44/62/561104462.db2.gz XWBNEPJUVPAGPH-AEFFLSMTSA-N 0 3 350.415 2.227 20 5 FEBDHN CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000530491110 562413463 /nfs/dbraw/zinc/41/34/63/562413463.db2.gz DVORUFBOEQXAAW-INIZCTEOSA-N 0 3 355.460 2.384 20 5 FEBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000532134328 562468121 /nfs/dbraw/zinc/46/81/21/562468121.db2.gz FYDAFTKQPSTFGA-UHFFFAOYSA-N 0 3 369.425 2.380 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982623 562494697 /nfs/dbraw/zinc/49/46/97/562494697.db2.gz YDSVAXCQXBPIIM-MRXNPFEDSA-N 0 3 374.441 2.319 20 5 FEBDHN COc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000569846754 568427729 /nfs/dbraw/zinc/42/77/29/568427729.db2.gz NIQVSFBYTUEJBO-UHFFFAOYSA-N 0 3 364.423 2.209 20 5 FEBDHN Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1Br ZINC000570273450 568471447 /nfs/dbraw/zinc/47/14/47/568471447.db2.gz MKNJPRNKASZNJW-CYBMUJFWSA-N 0 3 369.219 2.013 20 5 FEBDHN Cc1ccc([C@@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920867 674427954 /nfs/dbraw/zinc/42/79/54/674427954.db2.gz PNPSDNDFPYTEOE-HIFRSBDPSA-N 0 3 355.460 2.368 20 5 FEBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc(C3OCCO3)s2)cc1 ZINC000809615079 674500989 /nfs/dbraw/zinc/50/09/89/674500989.db2.gz ZKHFDFKIBVAWCX-UHFFFAOYSA-N 0 3 351.384 2.265 20 5 FEBDHN CC[C@H]1CN2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000686 606226291 /nfs/dbraw/zinc/22/62/91/606226291.db2.gz HXBDWLBUNZGEHF-KBPBESRZSA-N 0 3 357.418 2.228 20 5 FEBDHN Cc1sccc1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000559249035 674533401 /nfs/dbraw/zinc/53/34/01/674533401.db2.gz BJRZRTCPXNSVPS-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104438 674719889 /nfs/dbraw/zinc/71/98/89/674719889.db2.gz CSDGFTDGTFISBS-MFKMUULPSA-N 0 3 370.789 2.162 20 5 FEBDHN CC(COC(=O)c1cc(F)ccc1I)[N+](=O)[O-] ZINC000813107354 674720496 /nfs/dbraw/zinc/72/04/96/674720496.db2.gz MLPPCCDYUFKVHX-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000563626266 674919407 /nfs/dbraw/zinc/91/94/07/674919407.db2.gz XKBXESGCRIEJES-SECBINFHSA-N 0 3 369.365 2.409 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccccc2F)cc1 ZINC000577675830 671612683 /nfs/dbraw/zinc/61/26/83/671612683.db2.gz HSSYJEBJIJZPOR-UHFFFAOYSA-N 0 3 352.387 2.340 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000610135398 675956198 /nfs/dbraw/zinc/95/61/98/675956198.db2.gz RCWVQNIBOYHXMA-ZIAGYGMSSA-N 0 3 355.460 2.397 20 5 FEBDHN COCCN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583874386 672134773 /nfs/dbraw/zinc/13/47/73/672134773.db2.gz SCTZYMFNVMJTDY-UHFFFAOYSA-N 0 3 363.336 2.264 20 5 FEBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139388658 672146526 /nfs/dbraw/zinc/14/65/26/672146526.db2.gz KRBKNDSDQFCDJO-ZDUSSCGKSA-N 0 3 355.822 2.431 20 5 FEBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204932 676024516 /nfs/dbraw/zinc/02/45/16/676024516.db2.gz BUCLDBPVDICVHY-CHWSQXEVSA-N 0 3 351.403 2.289 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591736058 672706605 /nfs/dbraw/zinc/70/66/05/672706605.db2.gz HQNZUZHSGZJBGT-GASCZTMLSA-N 0 3 369.487 2.221 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597100206 673447775 /nfs/dbraw/zinc/44/77/75/673447775.db2.gz GPMFHBSUUZPTJV-NOZJJQNGSA-N 0 3 353.810 2.388 20 5 FEBDHN Cc1nc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598824831 673614752 /nfs/dbraw/zinc/61/47/52/673614752.db2.gz ZLCHTODUDNSDSC-UWVGGRQHSA-N 0 3 363.292 2.221 20 5 FEBDHN C[C@@H]1COC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643424 683760088 /nfs/dbraw/zinc/76/00/88/683760088.db2.gz YDQHAYNXICRMGR-PRHODGIISA-N 0 3 362.167 2.324 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626575 673699198 /nfs/dbraw/zinc/69/91/98/673699198.db2.gz RYCNZJUOGHLYOY-VZAVHYRXSA-N 0 3 351.403 2.332 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCN2CCCC2)c1C ZINC000544598661 673719825 /nfs/dbraw/zinc/71/98/25/673719825.db2.gz HPORSNGSJFWING-UHFFFAOYSA-N 0 3 355.460 2.318 20 5 FEBDHN CCOC(=O)[C@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCCOC1 ZINC000602742888 673910599 /nfs/dbraw/zinc/91/05/99/673910599.db2.gz UMQFMEZPTFYGJV-KRWDZBQOSA-N 0 3 352.387 2.053 20 5 FEBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000602950529 673914202 /nfs/dbraw/zinc/91/42/02/673914202.db2.gz FRIOZLBFLYPBIV-UHFFFAOYSA-N 0 3 363.443 2.377 20 5 FEBDHN Cc1c(CNC[C@H](O)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819259330 675274811 /nfs/dbraw/zinc/27/48/11/675274811.db2.gz HBOBQYFFSCBEMJ-CQSZACIVSA-N 0 3 353.419 2.269 20 5 FEBDHN CO[C@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000615732055 676225555 /nfs/dbraw/zinc/22/55/55/676225555.db2.gz QRCMTKIUXPZRDF-CYBMUJFWSA-N 0 3 350.293 2.423 20 5 FEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCCC1 ZINC000825505911 675656490 /nfs/dbraw/zinc/65/64/90/675656490.db2.gz ZLKSNIBUNWZYET-LBPRGKRZSA-N 0 3 352.410 2.404 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)cc1Cl ZINC000828423535 675818955 /nfs/dbraw/zinc/81/89/55/675818955.db2.gz WWJQTOLTDACHMI-NSHDSACASA-N 0 3 371.821 2.294 20 5 FEBDHN C[C@](O)(CO)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000619464268 676377909 /nfs/dbraw/zinc/37/79/09/676377909.db2.gz JRBXWWNPZNQZAG-QGZVFWFLSA-N 0 3 350.346 2.359 20 5 FEBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217665 679949122 /nfs/dbraw/zinc/94/91/22/679949122.db2.gz FWSXMKLROQKCDW-DXCKQFNASA-N 0 3 367.833 2.397 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818730 680047560 /nfs/dbraw/zinc/04/75/60/680047560.db2.gz OIAQETHJDXUJCK-UHFFFAOYSA-N 0 3 353.423 2.171 20 5 FEBDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000752072662 680221934 /nfs/dbraw/zinc/22/19/34/680221934.db2.gz JFXTXDIMCIEULZ-STQMWFEESA-N 0 3 353.423 2.026 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000769708355 680992329 /nfs/dbraw/zinc/99/23/29/680992329.db2.gz TXJNNRZRRBZYLC-UHFFFAOYSA-N 0 3 350.375 2.355 20 5 FEBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000771067081 681040099 /nfs/dbraw/zinc/04/00/99/681040099.db2.gz OUGWZABISHZVEK-CYBMUJFWSA-N 0 3 353.394 2.434 20 5 FEBDHN CC([C@@H](OC(=O)c1ccoc1CC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845881995 681159027 /nfs/dbraw/zinc/15/90/27/681159027.db2.gz NJJNQBUWBPMOCS-BJOHPYRUSA-N 0 3 350.302 2.010 20 5 FEBDHN CCC[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000776595877 681412965 /nfs/dbraw/zinc/41/29/65/681412965.db2.gz BSWDXXPRUQOQHE-ZWKOTPCHSA-N 0 3 351.447 2.061 20 5 FEBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647581 681735058 /nfs/dbraw/zinc/73/50/58/681735058.db2.gz AKKDZWHYWNEZCK-CQSZACIVSA-N 0 3 356.810 2.356 20 5 FEBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647579 681735178 /nfs/dbraw/zinc/73/51/78/681735178.db2.gz AKKDZWHYWNEZCK-AWEZNQCLSA-N 0 3 356.810 2.356 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)cs1 ZINC000849461748 681747492 /nfs/dbraw/zinc/74/74/92/681747492.db2.gz ZDQMWVWDCOVLBV-NSHDSACASA-N 0 3 359.473 2.342 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790008726 682645975 /nfs/dbraw/zinc/64/59/75/682645975.db2.gz LQFLPUJUYQLVOT-UHFFFAOYSA-N 0 3 366.395 2.433 20 5 FEBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000791129022 682724242 /nfs/dbraw/zinc/72/42/42/682724242.db2.gz IIQFTVAMXITXAW-HNNXBMFYSA-N 0 3 355.797 2.482 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000866863668 684170092 /nfs/dbraw/zinc/17/00/92/684170092.db2.gz RWQRKONUMXBTIT-JSGCOSHPSA-N 0 3 373.450 2.393 20 5 FEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308594 684243973 /nfs/dbraw/zinc/24/39/73/684243973.db2.gz KTYMABSTNUIMLH-LDYMZIIASA-N 0 3 365.814 2.100 20 5 FEBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000867438268 684280098 /nfs/dbraw/zinc/28/00/98/684280098.db2.gz BIYJVVDRSWIDLM-UHFFFAOYSA-N 0 3 368.242 2.274 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]12COC(=O)N1CCOC2 ZINC000872091443 684918863 /nfs/dbraw/zinc/91/88/63/684918863.db2.gz HQSKASZDUCSSGK-BDJLRTHQSA-N 0 3 367.427 2.189 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000882237565 687331879 /nfs/dbraw/zinc/33/18/79/687331879.db2.gz NNCXWEGGTVQNMP-YOGCLGLASA-N 0 3 373.862 2.460 20 5 FEBDHN CN1CCC[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883178185 687582792 /nfs/dbraw/zinc/58/27/92/687582792.db2.gz QORPSMNIXUDGPB-GFCCVEGCSA-N 0 3 371.235 2.251 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478749 687643347 /nfs/dbraw/zinc/64/33/47/687643347.db2.gz XKTKYIPFJHNYJD-UHFFFAOYSA-N 0 3 359.835 2.155 20 5 FEBDHN CO[C@H](CNCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000895611164 689743950 /nfs/dbraw/zinc/74/39/50/689743950.db2.gz SAUODJNHIRLUBL-SMDDNHRTSA-N 0 3 359.220 2.498 20 5 FEBDHN C[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853088 691183092 /nfs/dbraw/zinc/18/30/92/691183092.db2.gz PBXLLIYFAATQDU-BJJXKVORSA-N 0 3 364.471 2.091 20 5 FEBDHN Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868324 721048292 /nfs/dbraw/zinc/04/82/92/721048292.db2.gz NTSWVYCIQFWWAO-DLBZAZTESA-N 0 3 369.425 2.173 20 5 FEBDHN CCN1CCN([C@H](C)CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486981570 888547334 /nfs/dbraw/zinc/54/73/34/888547334.db2.gz OJAHGTBIGBPMBI-CYBMUJFWSA-N 0 3 360.418 2.083 20 5 FEBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834787 889258028 /nfs/dbraw/zinc/25/80/28/889258028.db2.gz UYXMBEMSOICVLV-AAEUAGOBSA-N 0 3 361.402 2.484 20 5 FEBDHN CN(CCOc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025697696 539766858 /nfs/dbraw/zinc/76/68/58/539766858.db2.gz QBRUMGJCDXDFOU-OAHLLOKOSA-N 0 3 364.373 2.484 20 5 FEBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000549974361 674076271 /nfs/dbraw/zinc/07/62/71/674076271.db2.gz ILVNKMWLJNNGEC-VIFPVBQESA-N 0 3 364.183 2.402 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000031465419 539908104 /nfs/dbraw/zinc/90/81/04/539908104.db2.gz UCWYMGXAVOENOB-UHFFFAOYSA-N 0 3 356.382 2.139 20 5 FEBDHN COCCN(C)CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041423010 540020564 /nfs/dbraw/zinc/02/05/64/540020564.db2.gz ISOJARDZAOEGAZ-ZDUSSCGKSA-N 0 3 355.460 2.160 20 5 FEBDHN C[C@@H]1CCCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044533240 540129471 /nfs/dbraw/zinc/12/94/71/540129471.db2.gz OTOWUGXZAGZXKO-CQSZACIVSA-N 0 3 357.414 2.385 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000055298089 540645115 /nfs/dbraw/zinc/64/51/15/540645115.db2.gz GNSPBFJEPCARTD-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN CN(CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000056192034 540711149 /nfs/dbraw/zinc/71/11/49/540711149.db2.gz SPTVGHLFANPAND-UHFFFAOYSA-N 0 3 357.366 2.185 20 5 FEBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000065601918 541248016 /nfs/dbraw/zinc/24/80/16/541248016.db2.gz HAXIPLPWAOWZGI-ZDUSSCGKSA-N 0 3 362.430 2.078 20 5 FEBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H](N2CCCC2)C1 ZINC000067191354 541430568 /nfs/dbraw/zinc/43/05/68/541430568.db2.gz WBIFFAJALZNIKO-CYBMUJFWSA-N 0 3 361.398 2.066 20 5 FEBDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068240000 541567041 /nfs/dbraw/zinc/56/70/41/541567041.db2.gz AAZDGNCORZNSKA-CYBMUJFWSA-N 0 3 367.402 2.068 20 5 FEBDHN CCCC[NH+]1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068903190 541639573 /nfs/dbraw/zinc/63/95/73/541639573.db2.gz DPIZHGASYQLAOX-UHFFFAOYSA-N 0 3 359.423 2.277 20 5 FEBDHN O=C(CN1CCC[C@H]1CN1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069033471 541650538 /nfs/dbraw/zinc/65/05/38/541650538.db2.gz CVMFMWVVCAGKBX-SFHVURJKSA-N 0 3 372.469 2.434 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069423893 541685664 /nfs/dbraw/zinc/68/56/64/541685664.db2.gz BREWBIMWCBAEOT-HUUCEWRRSA-N 0 3 364.446 2.393 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000074137192 542042429 /nfs/dbraw/zinc/04/24/29/542042429.db2.gz WRTXSMOCNNLGPZ-GFCCVEGCSA-N 0 3 353.419 2.318 20 5 FEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078455110 542462236 /nfs/dbraw/zinc/46/22/36/542462236.db2.gz LHPZHXGQKCZNSI-OAHLLOKOSA-N 0 3 357.414 2.337 20 5 FEBDHN CC(=O)N1CC[C@@H](CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092100340 542846030 /nfs/dbraw/zinc/84/60/30/542846030.db2.gz FZSLPYSGEXTXFA-HNNXBMFYSA-N 0 3 371.441 2.296 20 5 FEBDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000104923257 543150451 /nfs/dbraw/zinc/15/04/51/543150451.db2.gz GTIVHYKWIQNUDU-UHFFFAOYSA-N 0 3 369.421 2.482 20 5 FEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000106086458 543193006 /nfs/dbraw/zinc/19/30/06/543193006.db2.gz ISQNBSAFQNPOEL-INIZCTEOSA-N 0 3 357.414 2.364 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891733 543252867 /nfs/dbraw/zinc/25/28/67/543252867.db2.gz OYPJUGYCFZZGIJ-CYBMUJFWSA-N 0 3 353.444 2.198 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000110993881 543377776 /nfs/dbraw/zinc/37/77/76/543377776.db2.gz FJULWRLJLUCABG-GFCCVEGCSA-N 0 3 351.403 2.216 20 5 FEBDHN CN(CCCN1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111415414 543401010 /nfs/dbraw/zinc/40/10/10/543401010.db2.gz KJBNXOVKOTVGPL-UHFFFAOYSA-N 0 3 369.853 2.349 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112922018 543468342 /nfs/dbraw/zinc/46/83/42/543468342.db2.gz CLPAVSMEAGEFQL-ZDUSSCGKSA-N 0 3 368.865 2.252 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1C ZINC000115585497 543575976 /nfs/dbraw/zinc/57/59/76/543575976.db2.gz AMHSIMOKVQAGPG-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN CCc1ccc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000124324218 543814287 /nfs/dbraw/zinc/81/42/87/543814287.db2.gz LBPITIFTWNQDAW-UHFFFAOYSA-N 0 3 372.425 2.423 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H](O)CN1CCCCC1 ZINC000129850269 544129782 /nfs/dbraw/zinc/12/97/82/544129782.db2.gz NEUCPIIJUNXMLG-NSHDSACASA-N 0 3 359.224 2.011 20 5 FEBDHN O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000130046485 544136686 /nfs/dbraw/zinc/13/66/86/544136686.db2.gz XKAVRGIBVYIBPS-UHFFFAOYSA-N 0 3 372.469 2.302 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000131857353 544209746 /nfs/dbraw/zinc/20/97/46/544209746.db2.gz LALYJKHOAVXUPH-INIZCTEOSA-N 0 3 371.441 2.304 20 5 FEBDHN COc1ccc(OCCN[C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000132261812 544224741 /nfs/dbraw/zinc/22/47/41/544224741.db2.gz ONPLFMMLLASWNC-LJQANCHMSA-N 0 3 358.394 2.406 20 5 FEBDHN CN1CCC2(CC1)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1O2 ZINC000134992016 544330135 /nfs/dbraw/zinc/33/01/35/544330135.db2.gz JFGLKLPEQKZPRP-ZDUSSCGKSA-N 0 3 371.397 2.036 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000135044540 544332192 /nfs/dbraw/zinc/33/21/92/544332192.db2.gz VIDLZFORMYNILK-RDJZCZTQSA-N 0 3 371.441 2.160 20 5 FEBDHN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452916 544347522 /nfs/dbraw/zinc/34/75/22/544347522.db2.gz WIDZTIIFAUBGKF-HOTGVXAUSA-N 0 3 358.398 2.070 20 5 FEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000137039824 544383319 /nfs/dbraw/zinc/38/33/19/544383319.db2.gz YXUMKKQAEPFUOF-IRXDYDNUSA-N 0 3 357.414 2.019 20 5 FEBDHN CN1CCN(CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000153618214 544798810 /nfs/dbraw/zinc/79/88/10/544798810.db2.gz VBLMQXIFDRIZCF-UHFFFAOYSA-N 0 3 353.854 2.107 20 5 FEBDHN CCN1CCN([C@@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553275844 674250093 /nfs/dbraw/zinc/25/00/93/674250093.db2.gz VYPOOBCCKIKMNG-NSHDSACASA-N 0 3 350.448 2.037 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188255428 328076138 /nfs/dbraw/zinc/07/61/38/328076138.db2.gz GEMLHEYZHJJRFQ-UHFFFAOYSA-N 0 3 359.423 2.230 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188919234 328117974 /nfs/dbraw/zinc/11/79/74/328117974.db2.gz WITOYCHQKFMGAI-ZDUSSCGKSA-N 0 3 366.487 2.073 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189143667 328131219 /nfs/dbraw/zinc/13/12/19/328131219.db2.gz LMMXWGGMJCWEMY-UONOGXRCSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN(CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893409 328174377 /nfs/dbraw/zinc/17/43/77/328174377.db2.gz IBGIPABDNUJMSL-CYBMUJFWSA-N 0 3 355.460 2.166 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190647792 328221964 /nfs/dbraw/zinc/22/19/64/328221964.db2.gz VNDAZSLXVKRUJN-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)n1 ZINC000191716839 328278464 /nfs/dbraw/zinc/27/84/64/328278464.db2.gz JKBXCQJYYFNZIW-INIZCTEOSA-N 0 3 371.441 2.452 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000007187806 324354916 /nfs/dbraw/zinc/35/49/16/324354916.db2.gz CNHHFQNEDIUSSX-UHFFFAOYSA-N 0 3 370.475 2.133 20 5 FEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000090551638 325362727 /nfs/dbraw/zinc/36/27/27/325362727.db2.gz VUAIWEGUZSXFDD-KRWDZBQOSA-N 0 3 356.426 2.357 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2cccc3[nH]ccc32)cc1 ZINC000237987443 328536862 /nfs/dbraw/zinc/53/68/62/328536862.db2.gz VYWZTFLFYTWYHJ-UHFFFAOYSA-N 0 3 374.422 2.144 20 5 FEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104413440 325538643 /nfs/dbraw/zinc/53/86/43/325538643.db2.gz ISFYRGMPEMURSM-MRXNPFEDSA-N 0 3 357.414 2.337 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(CCO)Cc1ccccc1 ZINC000117335513 326057368 /nfs/dbraw/zinc/05/73/68/326057368.db2.gz XHHGGXGSNGKXOV-UHFFFAOYSA-N 0 3 371.393 2.387 20 5 FEBDHN COCCCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117782705 326070266 /nfs/dbraw/zinc/07/02/66/326070266.db2.gz LQMSEIJMIYCSOX-UHFFFAOYSA-N 0 3 369.849 2.408 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117790592 326070693 /nfs/dbraw/zinc/07/06/93/326070693.db2.gz CNPQNEROZPSQSY-CQSZACIVSA-N 0 3 355.822 2.018 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000120320165 326249714 /nfs/dbraw/zinc/24/97/14/326249714.db2.gz LZGMHFBLTWURDY-HNNXBMFYSA-N 0 3 364.446 2.426 20 5 FEBDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000120679487 326278295 /nfs/dbraw/zinc/27/82/95/326278295.db2.gz GDNDYMGDWZEINT-ZYHUDNBSSA-N 0 3 368.821 2.128 20 5 FEBDHN CCC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000121752976 326363948 /nfs/dbraw/zinc/36/39/48/326363948.db2.gz JNILQCWFNLXDPC-KRWDZBQOSA-N 0 3 351.447 2.406 20 5 FEBDHN CCC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000121998601 326379991 /nfs/dbraw/zinc/37/99/91/326379991.db2.gz OGDSZIINQMENAB-QGZVFWFLSA-N 0 3 351.447 2.406 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134850345 326632357 /nfs/dbraw/zinc/63/23/57/326632357.db2.gz HOPFBXUBQMEUSI-OAHLLOKOSA-N 0 3 355.822 2.431 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151629292 326687168 /nfs/dbraw/zinc/68/71/68/326687168.db2.gz YRDXLTKYSLYXRG-GFCCVEGCSA-N 0 3 373.862 2.355 20 5 FEBDHN Cc1ccc(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000151790262 326691049 /nfs/dbraw/zinc/69/10/49/326691049.db2.gz QSNHLFRTUBQABP-UHFFFAOYSA-N 0 3 355.460 2.302 20 5 FEBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161609918 327004306 /nfs/dbraw/zinc/00/43/06/327004306.db2.gz KXHFURQZUSXFJE-CQSZACIVSA-N 0 3 373.413 2.150 20 5 FEBDHN C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H](N)c1ccccc1 ZINC000169188862 327088213 /nfs/dbraw/zinc/08/82/13/327088213.db2.gz OEAXFBGBXYONFS-YEWWUXTCSA-N 0 3 369.425 2.339 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000171368671 327134977 /nfs/dbraw/zinc/13/49/77/327134977.db2.gz SMZKQHQOIMRJHB-OAHLLOKOSA-N 0 3 359.430 2.475 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171454229 327140212 /nfs/dbraw/zinc/14/02/12/327140212.db2.gz BLEMQIIYHBTBNF-ZDUSSCGKSA-N 0 3 362.386 2.430 20 5 FEBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000172208076 327187179 /nfs/dbraw/zinc/18/71/79/327187179.db2.gz UZAKYAXGIKEXPK-AWEZNQCLSA-N 0 3 357.414 2.275 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000173256113 327244294 /nfs/dbraw/zinc/24/42/94/327244294.db2.gz AZRWXCJAUOXMSN-UKRRQHHQSA-N 0 3 355.460 2.254 20 5 FEBDHN COc1ccccc1CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173619743 327271442 /nfs/dbraw/zinc/27/14/42/327271442.db2.gz JPPPBZCTYIRYHA-SFHVURJKSA-N 0 3 374.441 2.116 20 5 FEBDHN CN(C)CCn1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000173934205 327295689 /nfs/dbraw/zinc/29/56/89/327295689.db2.gz QTESCRWXCXBBFN-UHFFFAOYSA-N 0 3 374.445 2.497 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175004375 327367277 /nfs/dbraw/zinc/36/72/77/327367277.db2.gz YVARICPIZZZAMI-LSDHHAIUSA-N 0 3 361.398 2.080 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248429870 328718011 /nfs/dbraw/zinc/71/80/11/328718011.db2.gz QZQCYQNHMDTJOP-KFWWJZLASA-N 0 3 369.487 2.381 20 5 FEBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566480 329236736 /nfs/dbraw/zinc/23/67/36/329236736.db2.gz RLQDHQZYPFLRAC-UONOGXRCSA-N 0 3 363.414 2.311 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267153505 329297221 /nfs/dbraw/zinc/29/72/21/329297221.db2.gz HSAXJIIWDKXIQZ-OAHLLOKOSA-N 0 3 354.432 2.162 20 5 FEBDHN CN(C)[C@]1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267229046 329304435 /nfs/dbraw/zinc/30/44/35/329304435.db2.gz WBEIRBQPPHZKAW-INIZCTEOSA-N 0 3 352.460 2.174 20 5 FEBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)cn1 ZINC000269159454 329491611 /nfs/dbraw/zinc/49/16/11/329491611.db2.gz KRCQPUVSZOSKHI-UHFFFAOYSA-N 0 3 373.438 2.130 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272142787 329755448 /nfs/dbraw/zinc/75/54/48/329755448.db2.gz DSRXFTQWXSRTSE-SNVBAGLBSA-N 0 3 363.443 2.402 20 5 FEBDHN Cc1nn(C)c(-c2nc(-c3cccc(OCCN(C)C)c3)no2)c1[N+](=O)[O-] ZINC000274014369 329908904 /nfs/dbraw/zinc/90/89/04/329908904.db2.gz ZKQVSTXADMNLPT-UHFFFAOYSA-N 0 3 372.385 2.294 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000284245667 330181897 /nfs/dbraw/zinc/18/18/97/330181897.db2.gz CJXBAOZAUMIBHT-INIZCTEOSA-N 0 3 353.444 2.161 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821024 330208017 /nfs/dbraw/zinc/20/80/17/330208017.db2.gz SLDRKOSWJANOFC-YJBOKZPZSA-N 0 3 371.441 2.160 20 5 FEBDHN C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000367059169 330212293 /nfs/dbraw/zinc/21/22/93/330212293.db2.gz CCVGQOKRQJLMJV-LRDDRELGSA-N 0 3 354.401 2.335 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217312 330231523 /nfs/dbraw/zinc/23/15/23/330231523.db2.gz LVXWBBMKWJGRME-ZTFGCOKTSA-N 0 3 358.442 2.259 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1C ZINC000158423004 545859495 /nfs/dbraw/zinc/85/94/95/545859495.db2.gz LEVCSZOABGJFSX-KGLIPLIRSA-N 0 3 357.414 2.335 20 5 FEBDHN CN(CCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159689813 545973642 /nfs/dbraw/zinc/97/36/42/545973642.db2.gz ZYSLYCDYTUYFTL-UHFFFAOYSA-N 0 3 351.790 2.421 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000160514022 546048078 /nfs/dbraw/zinc/04/80/78/546048078.db2.gz GORDHLJBCJGYJH-CABCVRRESA-N 0 3 369.425 2.479 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000478726650 561173758 /nfs/dbraw/zinc/17/37/58/561173758.db2.gz USFVDQUIQVHMJL-CHWSQXEVSA-N 0 3 363.414 2.374 20 5 FEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000160788005 546072241 /nfs/dbraw/zinc/07/22/41/546072241.db2.gz SGZJPLCEQRXRTR-KRWDZBQOSA-N 0 3 369.425 2.062 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1OC ZINC000177205910 546570441 /nfs/dbraw/zinc/57/04/41/546570441.db2.gz DVBYBEWPPVXCAJ-NEPJUHHUSA-N 0 3 363.414 2.357 20 5 FEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2=O)c1 ZINC000181397896 547307868 /nfs/dbraw/zinc/30/78/68/547307868.db2.gz CBVKOCULLOCWFP-CQSZACIVSA-N 0 3 370.409 2.234 20 5 FEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182335711 547475010 /nfs/dbraw/zinc/47/50/10/547475010.db2.gz ZPVVXPPDAMAYKU-RBOXIYTFSA-N 0 3 351.403 2.478 20 5 FEBDHN C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000183295852 547635433 /nfs/dbraw/zinc/63/54/33/547635433.db2.gz KVCOKEAHOCHMPV-LBPRGKRZSA-N 0 3 359.423 2.277 20 5 FEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486488172 561348795 /nfs/dbraw/zinc/34/87/95/561348795.db2.gz NNUBMDTZFVRLKB-CYBMUJFWSA-N 0 3 373.413 2.334 20 5 FEBDHN Nc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000194746413 548525690 /nfs/dbraw/zinc/52/56/90/548525690.db2.gz JQPYROALLMUKSC-HNNXBMFYSA-N 0 3 354.410 2.429 20 5 FEBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000487819232 561376670 /nfs/dbraw/zinc/37/66/70/561376670.db2.gz PMDAWOQOAURSRY-ZDUSSCGKSA-N 0 3 352.822 2.327 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1C ZINC000246085927 549049059 /nfs/dbraw/zinc/04/90/59/549049059.db2.gz GGFXVZRTQNGLRK-IUODEOHRSA-N 0 3 355.460 2.172 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246733797 549199193 /nfs/dbraw/zinc/19/91/93/549199193.db2.gz OVVDSQWRNRZLHM-ZNMIVQPWSA-N 0 3 369.487 2.381 20 5 FEBDHN Cc1ccc(NC(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000488984219 561401056 /nfs/dbraw/zinc/40/10/56/561401056.db2.gz PLUJQBNRWXJHHP-UHFFFAOYSA-N 0 3 358.402 2.160 20 5 FEBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCO[C@@H]1C ZINC000489472062 561412387 /nfs/dbraw/zinc/41/23/87/561412387.db2.gz BVCZWGZEUTYOAJ-PBHICJAKSA-N 0 3 365.430 2.358 20 5 FEBDHN C[C@H](O)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000249203296 549568415 /nfs/dbraw/zinc/56/84/15/549568415.db2.gz ANLXBUBTRLRTAK-CABCVRRESA-N 0 3 374.441 2.179 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251683964 549651395 /nfs/dbraw/zinc/65/13/95/549651395.db2.gz JCWAGBWQBWIZIU-MLGOLLRUSA-N 0 3 351.403 2.289 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@H](OC)C1 ZINC000251849688 549655903 /nfs/dbraw/zinc/65/59/03/549655903.db2.gz NKMFZKKUCSPQEG-MLGOLLRUSA-N 0 3 351.403 2.289 20 5 FEBDHN COCCN(C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264154459 549985395 /nfs/dbraw/zinc/98/53/95/549985395.db2.gz ZYWQBWYFYIWYSO-UHFFFAOYSA-N 0 3 352.435 2.093 20 5 FEBDHN CCC[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031765 550146371 /nfs/dbraw/zinc/14/63/71/550146371.db2.gz RXQPKTCQQIPZEA-ZBFHGGJFSA-N 0 3 355.460 2.450 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000493537553 561456653 /nfs/dbraw/zinc/45/66/53/561456653.db2.gz WDELKDZAYUQQNC-XJKSGUPXSA-N 0 3 370.409 2.074 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000270407400 550269936 /nfs/dbraw/zinc/26/99/36/550269936.db2.gz AKBODNKMVGAJGA-KGLIPLIRSA-N 0 3 355.485 2.434 20 5 FEBDHN CCN1CCN(c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000270749276 550303440 /nfs/dbraw/zinc/30/34/40/550303440.db2.gz IDQMZHAXRAVRFZ-UHFFFAOYSA-N 0 3 372.429 2.031 20 5 FEBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000274463533 550538984 /nfs/dbraw/zinc/53/89/84/550538984.db2.gz KGPRSMSETCZYRT-LBPRGKRZSA-N 0 3 358.398 2.451 20 5 FEBDHN CCN1CCN(c2cccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c2)CC1 ZINC000274569531 550544211 /nfs/dbraw/zinc/54/42/11/550544211.db2.gz FJBLWRAIARYXNL-UHFFFAOYSA-N 0 3 358.402 2.021 20 5 FEBDHN CC[NH+]1CCN(c2cccc(NC(=O)c3n[n-]c(C)c3[N+](=O)[O-])c2)CC1 ZINC000274569531 550544212 /nfs/dbraw/zinc/54/42/12/550544212.db2.gz FJBLWRAIARYXNL-UHFFFAOYSA-N 0 3 358.402 2.021 20 5 FEBDHN CCc1[n-]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1[N+](=O)[O-] ZINC000277987496 550736169 /nfs/dbraw/zinc/73/61/69/550736169.db2.gz MQTNKKIMNQMFHP-UHFFFAOYSA-N 0 3 372.429 2.193 20 5 FEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799870 550823535 /nfs/dbraw/zinc/82/35/35/550823535.db2.gz XOQSTOYLTMVSHF-BLLLJJGKSA-N 0 3 372.429 2.097 20 5 FEBDHN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279113270 550855257 /nfs/dbraw/zinc/85/52/57/550855257.db2.gz SWZITRSTBDWLOR-GDBMZVCRSA-N 0 3 351.403 2.015 20 5 FEBDHN CS[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1N(C)C ZINC000495657239 561490058 /nfs/dbraw/zinc/49/00/58/561490058.db2.gz SSVBEMVFRBSPCM-CVEARBPZSA-N 0 3 362.455 2.054 20 5 FEBDHN COC(=O)CC1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000280496220 551000462 /nfs/dbraw/zinc/00/04/62/551000462.db2.gz QNJTXWVKEAJHGT-UHFFFAOYSA-N 0 3 350.371 2.427 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000281933644 551159441 /nfs/dbraw/zinc/15/94/41/551159441.db2.gz DMNTWTZKQUCKOE-INIZCTEOSA-N 0 3 363.414 2.481 20 5 FEBDHN CN(C)CCOc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000497627295 561505096 /nfs/dbraw/zinc/50/50/96/561505096.db2.gz HZTJJAIBPLZIHX-UHFFFAOYSA-N 0 3 370.369 2.059 20 5 FEBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000497801933 561509166 /nfs/dbraw/zinc/50/91/66/561509166.db2.gz DZUDCVXMJGIVTM-DOTOQJQBSA-N 0 3 365.393 2.299 20 5 FEBDHN COc1ccc(CSCC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000498638540 561530746 /nfs/dbraw/zinc/53/07/46/561530746.db2.gz MPTYBRPIKHJNFR-CYBMUJFWSA-N 0 3 353.444 2.047 20 5 FEBDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285319293 551737171 /nfs/dbraw/zinc/73/71/71/551737171.db2.gz RDMKOXGZWQUQPF-KADIJHKTSA-N 0 3 365.817 2.193 20 5 FEBDHN CC(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000286013109 551838450 /nfs/dbraw/zinc/83/84/50/551838450.db2.gz FEWXQYQZJVSGPK-ZDUSSCGKSA-N 0 3 364.475 2.283 20 5 FEBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCC(CN3CCOCC3)CC2)s1 ZINC000286228394 551863578 /nfs/dbraw/zinc/86/35/78/551863578.db2.gz HJVCWEKDDZLDGR-UHFFFAOYSA-N 0 3 363.443 2.148 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954766 551944443 /nfs/dbraw/zinc/94/44/43/551944443.db2.gz HOZLICXRFSCCOM-QWHCGFSZSA-N 0 3 356.444 2.469 20 5 FEBDHN CC1(CNCc2cc(I)cc([N+](=O)[O-])c2)COC1 ZINC000289493758 552330746 /nfs/dbraw/zinc/33/07/46/552330746.db2.gz LFPSJLWODIJTGG-UHFFFAOYSA-N 0 3 362.167 2.326 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000291232685 552603832 /nfs/dbraw/zinc/60/38/32/552603832.db2.gz ITTFUMLGCAEUHE-JSGCOSHPSA-N 0 3 362.430 2.037 20 5 FEBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1Cc1ccccc1 ZINC000501778863 561605300 /nfs/dbraw/zinc/60/53/00/561605300.db2.gz WPEISYRFHCLSHM-DLBZAZTESA-N 0 3 370.453 2.351 20 5 FEBDHN COc1cc(CN[C@H]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000294968579 552947953 /nfs/dbraw/zinc/94/79/53/552947953.db2.gz FNSDPKHTUSHPFS-PWSUYJOCSA-N 0 3 360.357 2.498 20 5 FEBDHN COCCCN(C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294997832 552950024 /nfs/dbraw/zinc/95/00/24/552950024.db2.gz OYQJDEHNTAHIGS-UHFFFAOYSA-N 0 3 363.336 2.312 20 5 FEBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN(C2CC2)C1 ZINC000295277403 552980658 /nfs/dbraw/zinc/98/06/58/552980658.db2.gz HLBOIZZRPZWXKY-LBPRGKRZSA-N 0 3 351.378 2.055 20 5 FEBDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000296284732 553135264 /nfs/dbraw/zinc/13/52/64/553135264.db2.gz YYNPOGMITXSEBZ-CYBMUJFWSA-N 0 3 352.410 2.479 20 5 FEBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297861667 553349253 /nfs/dbraw/zinc/34/92/53/553349253.db2.gz IACQJTRUMCDOGD-GDBMZVCRSA-N 0 3 364.446 2.110 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000298164802 553392727 /nfs/dbraw/zinc/39/27/27/553392727.db2.gz PZKPORBDCNYOSE-CQSZACIVSA-N 0 3 362.430 2.078 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000298276694 553407040 /nfs/dbraw/zinc/40/70/40/553407040.db2.gz WXBSPYIBMPLYET-MRXNPFEDSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299310058 553545996 /nfs/dbraw/zinc/54/59/96/553545996.db2.gz CJWHLFPWOBTLRQ-UHFFFAOYSA-N 0 3 352.341 2.405 20 5 FEBDHN O=C(c1cc(N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301092006 553621361 /nfs/dbraw/zinc/62/13/61/553621361.db2.gz IJVZPUXHKXTIES-UHFFFAOYSA-N 0 3 358.442 2.363 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059571 553701162 /nfs/dbraw/zinc/70/11/62/553701162.db2.gz BCPPOONAHBZHFK-XQQFMLRXSA-N 0 3 370.475 2.021 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1C ZINC000332089433 554378197 /nfs/dbraw/zinc/37/81/97/554378197.db2.gz UQQJZFJWONSMAO-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000332107841 554381894 /nfs/dbraw/zinc/38/18/94/554381894.db2.gz ZYDHARYODNMEIT-HOCLYGCPSA-N 0 3 365.455 2.255 20 5 FEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CCN(C)CC1 ZINC000332383324 554435775 /nfs/dbraw/zinc/43/57/75/554435775.db2.gz HTTKZOSWXNAUJT-AWEZNQCLSA-N 0 3 350.438 2.334 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592787 554478776 /nfs/dbraw/zinc/47/87/76/554478776.db2.gz NYLYZRINDQYGQD-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510523271 561837667 /nfs/dbraw/zinc/83/76/67/561837667.db2.gz LLPSPFZUMUCXAA-SCLBCKFNSA-N 0 3 359.430 2.216 20 5 FEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000510541698 561838247 /nfs/dbraw/zinc/83/82/47/561838247.db2.gz TVCRGQUHQZHJBQ-RDTXWAMCSA-N 0 3 359.430 2.297 20 5 FEBDHN COc1ccccc1C[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362901196 554997342 /nfs/dbraw/zinc/99/73/42/554997342.db2.gz JEMHPXZOVVLOSW-CRAIPNDOSA-N 0 3 374.441 2.116 20 5 FEBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263705 555067356 /nfs/dbraw/zinc/06/73/56/555067356.db2.gz AMKBXRQAQQJHTH-PVUWLOKVSA-N 0 3 369.425 2.094 20 5 FEBDHN Cc1cc(NC(=O)N2CCC[C@@H]2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000363829066 555194676 /nfs/dbraw/zinc/19/46/76/555194676.db2.gz SSBGEYRALAGTEH-CVEARBPZSA-N 0 3 362.430 2.356 20 5 FEBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873343 555203918 /nfs/dbraw/zinc/20/39/18/555203918.db2.gz CIMISDWFAHGHTE-GUYCJALGSA-N 0 3 369.425 2.212 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556374 555337663 /nfs/dbraw/zinc/33/76/63/555337663.db2.gz JBMBAKZYUVJMFT-PVAVHDDUSA-N 0 3 361.442 2.143 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512806452 561916157 /nfs/dbraw/zinc/91/61/57/561916157.db2.gz WCHZPEJJKFYCIY-LLVKDONJSA-N 0 3 373.356 2.493 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365265804 555526837 /nfs/dbraw/zinc/52/68/37/555526837.db2.gz JFFZQHCNFNYONQ-VPWXQRGCSA-N 0 3 372.421 2.220 20 5 FEBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000365482109 555587436 /nfs/dbraw/zinc/58/74/36/555587436.db2.gz KUQHNYWCDINDBF-OAHLLOKOSA-N 0 3 373.413 2.244 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCO[C@H]3CCCCO3)C2)nc1 ZINC000514082740 561960026 /nfs/dbraw/zinc/96/00/26/561960026.db2.gz JJHKVFXSVKODIZ-PBHICJAKSA-N 0 3 350.419 2.409 20 5 FEBDHN Cc1c(NC(=O)CCN2CCC3(CCOC3=O)CC2)cccc1[N+](=O)[O-] ZINC000366685783 555908517 /nfs/dbraw/zinc/90/85/17/555908517.db2.gz WSXMFVFWCMODNF-UHFFFAOYSA-N 0 3 361.398 2.261 20 5 FEBDHN Cc1c(CC(=O)N2CCCN(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000366774088 555930427 /nfs/dbraw/zinc/93/04/27/555930427.db2.gz RTLIUGPKDAZBDU-UHFFFAOYSA-N 0 3 361.442 2.159 20 5 FEBDHN CC(=O)c1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437465 556048522 /nfs/dbraw/zinc/04/85/22/556048522.db2.gz WMZJWYIWJSJYHU-KBXCAEBGSA-N 0 3 360.458 2.260 20 5 FEBDHN Cc1nn(C)c(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000367612710 556096938 /nfs/dbraw/zinc/09/69/38/556096938.db2.gz QLGLPNAPXWODHB-HNNXBMFYSA-N 0 3 357.414 2.031 20 5 FEBDHN CC(C)NCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000514877627 561984617 /nfs/dbraw/zinc/98/46/17/561984617.db2.gz XVXXSRALVKMTEU-CQSZACIVSA-N 0 3 351.403 2.092 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758125 562021129 /nfs/dbraw/zinc/02/11/29/562021129.db2.gz BMQKLKLNPKQYQD-BETUJISGSA-N 0 3 373.450 2.380 20 5 FEBDHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758125 562021130 /nfs/dbraw/zinc/02/11/30/562021130.db2.gz BMQKLKLNPKQYQD-BETUJISGSA-N 0 3 373.450 2.380 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369062917 556493660 /nfs/dbraw/zinc/49/36/60/556493660.db2.gz IQAHNRGWVFTGFI-HNNXBMFYSA-N 0 3 374.441 2.222 20 5 FEBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000516002015 562027515 /nfs/dbraw/zinc/02/75/15/562027515.db2.gz LPNAJOQTGWMWPE-INIZCTEOSA-N 0 3 357.410 2.263 20 5 FEBDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229929 556542447 /nfs/dbraw/zinc/54/24/47/556542447.db2.gz UJCRFVJGPITGHD-SJLPKXTDSA-N 0 3 360.414 2.295 20 5 FEBDHN Cc1sc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000369279422 556562987 /nfs/dbraw/zinc/56/29/87/556562987.db2.gz LUPJAGWYZHKJTP-LBPRGKRZSA-N 0 3 366.487 2.205 20 5 FEBDHN C[C@@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000369661522 556662153 /nfs/dbraw/zinc/66/21/53/556662153.db2.gz CAANJVWBQYIMAB-CYBMUJFWSA-N 0 3 372.429 2.941 20 5 FEBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000516617687 562050789 /nfs/dbraw/zinc/05/07/89/562050789.db2.gz YDWUATRAYNHZDO-AWEZNQCLSA-N 0 3 368.459 2.065 20 5 FEBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000516617687 562050790 /nfs/dbraw/zinc/05/07/90/562050790.db2.gz YDWUATRAYNHZDO-AWEZNQCLSA-N 0 3 368.459 2.065 20 5 FEBDHN COc1cc(C(=O)N2CCCC23CCN(C)CC3)c([N+](=O)[O-])cc1OC ZINC000370202903 556809802 /nfs/dbraw/zinc/80/98/02/556809802.db2.gz DBCWPKDJEXRKMB-UHFFFAOYSA-N 0 3 363.414 2.312 20 5 FEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CCN3CCOCC3)CC2)c1 ZINC000516788801 562058259 /nfs/dbraw/zinc/05/82/59/562058259.db2.gz OZLJTMPLDZXTJL-UHFFFAOYSA-N 0 3 363.458 2.408 20 5 FEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCN([C@H]2CCOC2)CC1 ZINC000370779781 556966290 /nfs/dbraw/zinc/96/62/90/556966290.db2.gz ORIAVIODCSVKHR-HNNXBMFYSA-N 0 3 367.833 2.160 20 5 FEBDHN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415104 562089672 /nfs/dbraw/zinc/08/96/72/562089672.db2.gz NILMYAQQYAOCFN-OKILXGFUSA-N 0 3 355.460 2.277 20 5 FEBDHN CC[C@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047414 557365867 /nfs/dbraw/zinc/36/58/67/557365867.db2.gz QNIPERXCKYSECA-MJGOQNOKSA-N 0 3 362.474 2.042 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372368677 557452211 /nfs/dbraw/zinc/45/22/11/557452211.db2.gz VZLGAFKBPBKQDF-MAUKXSAKSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1ccn2c(c1)nnc2C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372553659 557502952 /nfs/dbraw/zinc/50/29/52/557502952.db2.gz NOCLGOORVSCQGF-UHFFFAOYSA-N 0 3 355.402 2.022 20 5 FEBDHN Nc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC000372593554 557514872 /nfs/dbraw/zinc/51/48/72/557514872.db2.gz WPKQSKCLDAHYEJ-HWWDLCQESA-N 0 3 352.394 2.037 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000372745760 557553133 /nfs/dbraw/zinc/55/31/33/557553133.db2.gz VNGGFQTZGHYADV-UHFFFAOYSA-N 0 3 369.425 2.009 20 5 FEBDHN CCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N(C)C)c1[N+](=O)[O-] ZINC000373061762 557619298 /nfs/dbraw/zinc/61/92/98/557619298.db2.gz YCSOQBUQKIUFHZ-LSDHHAIUSA-N 0 3 357.414 2.228 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374298383 557860860 /nfs/dbraw/zinc/86/08/60/557860860.db2.gz UNRHRELPUMPKIL-MAUKXSAKSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1n[nH]c(C(=O)NCc2ccc(OCCN3CCCC3)cc2)c1[N+](=O)[O-] ZINC000521158541 562170593 /nfs/dbraw/zinc/17/05/93/562170593.db2.gz ZXZFDQOVLPJOGP-UHFFFAOYSA-N 0 3 373.413 2.031 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375032740 557967528 /nfs/dbraw/zinc/96/75/28/557967528.db2.gz SVHYDYILPMEYNI-ABAIWWIYSA-N 0 3 352.822 2.213 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2ccccc2F)c1 ZINC000521360179 562174877 /nfs/dbraw/zinc/17/48/77/562174877.db2.gz BZMMCZYMXXKFOU-CQSZACIVSA-N 0 3 350.346 2.142 20 5 FEBDHN COc1ccc(NC(=O)[C@@H](C)NC2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375699152 558069403 /nfs/dbraw/zinc/06/94/03/558069403.db2.gz UXIKHBYVXRWAKS-GFCCVEGCSA-N 0 3 363.414 2.479 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1ccc(F)cc1 ZINC000521674526 562182010 /nfs/dbraw/zinc/18/20/10/562182010.db2.gz LMCZBMRLGIAJBD-CQSZACIVSA-N 0 3 350.346 2.142 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@]2(CCCCO2)C1 ZINC000376468317 558177106 /nfs/dbraw/zinc/17/71/06/558177106.db2.gz JZQASFZADKDXBQ-QAPCUYQASA-N 0 3 350.415 2.370 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000378318643 558528551 /nfs/dbraw/zinc/52/85/51/558528551.db2.gz XPQMALVRPIYQMM-MJGOQNOKSA-N 0 3 357.410 2.345 20 5 FEBDHN CN1CCC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000378622217 558595593 /nfs/dbraw/zinc/59/55/93/558595593.db2.gz MYSGWAYBTLVHBC-KRWDZBQOSA-N 0 3 372.425 2.175 20 5 FEBDHN O=C(CCN1CCC(O[C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410051186 558735030 /nfs/dbraw/zinc/73/50/30/558735030.db2.gz GTLONLBMQVLQCN-OAHLLOKOSA-N 0 3 363.414 2.193 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524869522 562236485 /nfs/dbraw/zinc/23/64/85/562236485.db2.gz LUQSIUPAOHSXPM-STQMWFEESA-N 0 3 371.459 2.097 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000411140294 558843768 /nfs/dbraw/zinc/84/37/68/558843768.db2.gz MSRAPJXTEAUOKJ-AWEZNQCLSA-N 0 3 364.446 2.243 20 5 FEBDHN CN(C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000525609069 562250798 /nfs/dbraw/zinc/25/07/98/562250798.db2.gz AGWZDUDETPXXBI-UHFFFAOYSA-N 0 3 368.437 2.222 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975085 558998399 /nfs/dbraw/zinc/99/83/99/558998399.db2.gz UWSPGPNKGYHGLU-PIGZYNQJSA-N 0 3 351.403 2.335 20 5 FEBDHN CNC(=O)NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000412057504 559007783 /nfs/dbraw/zinc/00/77/83/559007783.db2.gz XVFWILYVTJMIHQ-UHFFFAOYSA-N 0 3 373.413 2.186 20 5 FEBDHN CC(C)N1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000413204585 559088323 /nfs/dbraw/zinc/08/83/23/559088323.db2.gz JFSJAGMVYGNEEN-UHFFFAOYSA-N 0 3 351.426 2.124 20 5 FEBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000419997933 559468316 /nfs/dbraw/zinc/46/83/16/559468316.db2.gz MECCOPHQVSEWMH-NRFANRHFSA-N 0 3 367.449 2.114 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421403831 559541401 /nfs/dbraw/zinc/54/14/01/559541401.db2.gz YBIQKCJNAVIWKR-AWEZNQCLSA-N 0 3 366.414 2.131 20 5 FEBDHN COc1cc(CCNC(=O)[C@H]2NCCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000422949682 559612610 /nfs/dbraw/zinc/61/26/10/559612610.db2.gz VUWLADPUSHVZQI-MRXNPFEDSA-N 0 3 365.430 2.049 20 5 FEBDHN O=C(NC[C@H]1CNCCO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423995368 559649764 /nfs/dbraw/zinc/64/97/64/559649764.db2.gz JJAYLNXLUATTLV-CYBMUJFWSA-N 0 3 373.434 2.464 20 5 FEBDHN CN(CCN1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432493825 559859726 /nfs/dbraw/zinc/85/97/26/559859726.db2.gz CCQWDAALQIWBQY-UHFFFAOYSA-N 0 3 358.398 2.076 20 5 FEBDHN CCn1cccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O ZINC000433103474 559871858 /nfs/dbraw/zinc/87/18/58/559871858.db2.gz LFTIDSKFAOTBPZ-ZDUSSCGKSA-N 0 3 358.398 2.283 20 5 FEBDHN CCn1cccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000433101054 559871877 /nfs/dbraw/zinc/87/18/77/559871877.db2.gz GBVMTUMVKSLWJX-ZDUSSCGKSA-N 0 3 358.398 2.283 20 5 FEBDHN Cc1c(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000433369121 559878924 /nfs/dbraw/zinc/87/89/24/559878924.db2.gz YUJWYEGFLOZCBE-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN COc1cccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000435817031 559930660 /nfs/dbraw/zinc/93/06/60/559930660.db2.gz GZTOBPROAGUCSB-UHFFFAOYSA-N 0 3 369.421 2.432 20 5 FEBDHN CN(C)[C@H]1CCC[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000439658686 559998564 /nfs/dbraw/zinc/99/85/64/559998564.db2.gz PEDAHCBQNRWCEB-ZFWWWQNUSA-N 0 3 357.414 2.454 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446051462 560138672 /nfs/dbraw/zinc/13/86/72/560138672.db2.gz IXSMSNUBPDTMRJ-ZDUSSCGKSA-N 0 3 368.865 2.312 20 5 FEBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576100 560164722 /nfs/dbraw/zinc/16/47/22/560164722.db2.gz WKKRXOOESYDTNY-SJORKVTESA-N 0 3 371.441 2.224 20 5 FEBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CCN(C2CC2)CC1 ZINC000447815994 560169896 /nfs/dbraw/zinc/16/98/96/560169896.db2.gz ILRPQPPDJBXNCN-UHFFFAOYSA-N 0 3 360.458 2.466 20 5 FEBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCN(CC2CC2)CC1 ZINC000448743651 560197489 /nfs/dbraw/zinc/19/74/89/560197489.db2.gz INWMKCJVQURUFV-UHFFFAOYSA-N 0 3 355.398 2.153 20 5 FEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCCC12CCC2 ZINC000449145124 560217945 /nfs/dbraw/zinc/21/79/45/560217945.db2.gz WHBMQYHRVQZLSE-HNNXBMFYSA-N 0 3 353.444 2.186 20 5 FEBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000449145935 560217983 /nfs/dbraw/zinc/21/79/83/560217983.db2.gz ZPOBJCGWZULQJR-CQSZACIVSA-N 0 3 355.460 2.432 20 5 FEBDHN COC(=O)COc1ccc(CNCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000449496025 560231774 /nfs/dbraw/zinc/23/17/74/560231774.db2.gz PGOYQVUMSLXNJQ-UHFFFAOYSA-N 0 3 359.382 2.182 20 5 FEBDHN COc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449521002 560232631 /nfs/dbraw/zinc/23/26/31/560232631.db2.gz GXZWBYCGHJAHAR-SMDDNHRTSA-N 0 3 371.384 2.383 20 5 FEBDHN Cc1nc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371276 560260432 /nfs/dbraw/zinc/26/04/32/560260432.db2.gz GBQMPDWMZMVSQK-KBPBESRZSA-N 0 3 363.462 2.409 20 5 FEBDHN CCOc1cc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309425 560299426 /nfs/dbraw/zinc/29/94/26/560299426.db2.gz WPCXAZDWJAFOID-INMHGKMJSA-N 0 3 350.415 2.355 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]21 ZINC000451480818 560309552 /nfs/dbraw/zinc/30/95/52/560309552.db2.gz RGBSKUMGLHFNGH-BMGDILEWSA-N 0 3 359.426 2.277 20 5 FEBDHN CC1(C)NC(=O)N(CCCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548100 560313761 /nfs/dbraw/zinc/31/37/61/560313761.db2.gz MTQXUUNWAHKESR-OAHLLOKOSA-N 0 3 374.441 2.495 20 5 FEBDHN CC(C)[C@@H](CO)[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000451592996 560316418 /nfs/dbraw/zinc/31/64/18/560316418.db2.gz HAUJWCCZWVPTII-VQIMIIECSA-N 0 3 363.458 2.363 20 5 FEBDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599696 560316683 /nfs/dbraw/zinc/31/66/83/560316683.db2.gz QTKJNGHNNNVTIQ-AEFFLSMTSA-N 0 3 351.447 2.436 20 5 FEBDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000451602833 560316879 /nfs/dbraw/zinc/31/68/79/560316879.db2.gz WDAWCUGILKQBSM-APWZRJJASA-N 0 3 363.458 2.363 20 5 FEBDHN CC(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451601258 560316929 /nfs/dbraw/zinc/31/69/29/560316929.db2.gz ULJPJDWUKWWMGU-DLBZAZTESA-N 0 3 372.487 2.247 20 5 FEBDHN CC[C@@H](C)N1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000451850255 560332265 /nfs/dbraw/zinc/33/22/65/560332265.db2.gz WVSCGUHBHQRBNS-CQSZACIVSA-N 0 3 362.430 2.309 20 5 FEBDHN C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C2CC2)C1 ZINC000452169362 560354433 /nfs/dbraw/zinc/35/44/33/560354433.db2.gz HRTSTDHIIPMDHG-CQSZACIVSA-N 0 3 369.425 2.337 20 5 FEBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273280 560384945 /nfs/dbraw/zinc/38/49/45/560384945.db2.gz VOVSCFCLZKNKDG-GOEBONIOSA-N 0 3 351.447 2.491 20 5 FEBDHN COCCN(C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454448142 560444857 /nfs/dbraw/zinc/44/48/57/560444857.db2.gz WIUDTHIGSPOCLF-MRXNPFEDSA-N 0 3 364.446 2.062 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457089147 560548092 /nfs/dbraw/zinc/54/80/92/560548092.db2.gz KVENIADUYPJCBP-AWEZNQCLSA-N 0 3 372.425 2.463 20 5 FEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457132345 560552061 /nfs/dbraw/zinc/55/20/61/560552061.db2.gz URRSBNOGIVNNND-INIZCTEOSA-N 0 3 372.429 2.039 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000458511510 560628743 /nfs/dbraw/zinc/62/87/43/560628743.db2.gz PQGZBHNMSGBRAR-GOEBONIOSA-N 0 3 364.446 2.110 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525337 560692132 /nfs/dbraw/zinc/69/21/32/560692132.db2.gz IJVAUDFIYSNTEP-QZTJIDSGSA-N 0 3 374.441 2.036 20 5 FEBDHN COc1ccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000459763126 560707025 /nfs/dbraw/zinc/70/70/25/560707025.db2.gz BSVIPJQIWOVYBY-UHFFFAOYSA-N 0 3 359.426 2.373 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000467072580 560902922 /nfs/dbraw/zinc/90/29/22/560902922.db2.gz BQNLHEJMNZJMSJ-ZYHUDNBSSA-N 0 3 361.489 2.458 20 5 FEBDHN CC(C)c1ccc(CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000470019091 560972336 /nfs/dbraw/zinc/97/23/36/560972336.db2.gz RDEQNIPZKQJHBT-QGZVFWFLSA-N 0 3 374.485 2.362 20 5 FEBDHN COC(=O)c1cn([C@H]2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208206 560976637 /nfs/dbraw/zinc/97/66/37/560976637.db2.gz GOTDCSGSXBEQNL-RQPMMQJISA-N 0 3 371.397 2.323 20 5 FEBDHN C[C@@H](CN1CCOCC1)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472228205 561021392 /nfs/dbraw/zinc/02/13/92/561021392.db2.gz DUVKOKBFVBRFRQ-KRWDZBQOSA-N 0 3 373.457 2.014 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000472631373 561031548 /nfs/dbraw/zinc/03/15/48/561031548.db2.gz MRFJPHRBAOYICI-NEFCLYRVSA-N 0 3 353.444 2.058 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000474347821 561071914 /nfs/dbraw/zinc/07/19/14/561071914.db2.gz GKAVNYNRSMYISE-INIZCTEOSA-N 0 3 366.414 2.177 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000474345755 561071927 /nfs/dbraw/zinc/07/19/27/561071927.db2.gz ABQMBCYOZOEGSQ-ZDUSSCGKSA-N 0 3 360.370 2.037 20 5 FEBDHN COC(=O)COc1ccc(CN[C@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366097 561072345 /nfs/dbraw/zinc/07/23/45/561072345.db2.gz AKVOXOHWXTUFEM-TZMCWYRMSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNCC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000474381458 561072884 /nfs/dbraw/zinc/07/28/84/561072884.db2.gz WPXRNIOYYVJDSC-UHFFFAOYSA-N 0 3 366.414 2.322 20 5 FEBDHN CN(CCN(C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000474556901 561076785 /nfs/dbraw/zinc/07/67/85/561076785.db2.gz LWDNBLNKOZLWFA-UHFFFAOYSA-N 0 3 358.398 2.074 20 5 FEBDHN COC(=O)COc1ccc(CN2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000475706401 561102850 /nfs/dbraw/zinc/10/28/50/561102850.db2.gz PBWDYBPYVHMAGH-LSDHHAIUSA-N 0 3 364.398 2.148 20 5 FEBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476352642 561117408 /nfs/dbraw/zinc/11/74/08/561117408.db2.gz HHHYKGWHLIZNPU-UHFFFAOYSA-N 0 3 357.414 2.031 20 5 FEBDHN CN(C)CCN(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000530642049 562418773 /nfs/dbraw/zinc/41/87/73/562418773.db2.gz KACQGXRLNWFFRH-UHFFFAOYSA-N 0 3 364.471 2.375 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247929 562528485 /nfs/dbraw/zinc/52/84/85/562528485.db2.gz GCMUMAGDXOMQET-CQSZACIVSA-N 0 3 373.457 2.080 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000534827497 562543241 /nfs/dbraw/zinc/54/32/41/562543241.db2.gz LECVICBTNOKICC-HZPDHXFCSA-N 0 3 364.471 2.287 20 5 FEBDHN C[C@H]1CCC[C@H](C)C1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536856659 562581465 /nfs/dbraw/zinc/58/14/65/562581465.db2.gz GVYXVXQQNGCCKT-STQMWFEESA-N 0 3 355.460 2.287 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541821494 562620577 /nfs/dbraw/zinc/62/05/77/562620577.db2.gz PQHTVBDCZCLQNI-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000602774464 568028898 /nfs/dbraw/zinc/02/88/98/568028898.db2.gz ZVLIPVIPSHTYEL-UHFFFAOYSA-N 0 3 359.430 2.324 20 5 FEBDHN C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668330 599590139 /nfs/dbraw/zinc/59/01/39/599590139.db2.gz RRSRBDHPYDHNRV-GHMZBOCLSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668330 599590142 /nfs/dbraw/zinc/59/01/42/599590142.db2.gz RRSRBDHPYDHNRV-GHMZBOCLSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668330 599590144 /nfs/dbraw/zinc/59/01/44/599590144.db2.gz RRSRBDHPYDHNRV-GHMZBOCLSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668330 599590146 /nfs/dbraw/zinc/59/01/46/599590146.db2.gz RRSRBDHPYDHNRV-GHMZBOCLSA-N 0 3 368.401 2.218 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640021 607471021 /nfs/dbraw/zinc/47/10/21/607471021.db2.gz PPGIBSFZPPNHER-LRDDRELGSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823640021 607471023 /nfs/dbraw/zinc/47/10/23/607471023.db2.gz PPGIBSFZPPNHER-LRDDRELGSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640021 607471027 /nfs/dbraw/zinc/47/10/27/607471027.db2.gz PPGIBSFZPPNHER-LRDDRELGSA-N 0 3 369.429 2.228 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000823640021 607471029 /nfs/dbraw/zinc/47/10/29/607471029.db2.gz PPGIBSFZPPNHER-LRDDRELGSA-N 0 3 369.429 2.228 20 5 FEBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000559603658 674549298 /nfs/dbraw/zinc/54/92/98/674549298.db2.gz QETDEIBDXMUSHP-CYBMUJFWSA-N 0 3 350.346 2.272 20 5 FEBDHN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568811 608470145 /nfs/dbraw/zinc/47/01/45/608470145.db2.gz DCPNWJULRTZVKI-ZBEGNZNMSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569366 608486988 /nfs/dbraw/zinc/48/69/88/608486988.db2.gz HJCFDIXCFQSYFW-BDJLRTHQSA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569366 608486989 /nfs/dbraw/zinc/48/69/89/608486989.db2.gz HJCFDIXCFQSYFW-BDJLRTHQSA-N 0 3 354.370 2.159 20 5 FEBDHN CN1CCN(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561120610 674638964 /nfs/dbraw/zinc/63/89/64/674638964.db2.gz IFSDVJOGHAIIFR-UHFFFAOYSA-N 0 3 350.448 2.039 20 5 FEBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[N+](=O)[O-] ZINC000813106291 674719963 /nfs/dbraw/zinc/71/99/63/674719963.db2.gz ACTXIYOLRHYAFH-UWVGGRQHSA-N 0 3 352.334 2.087 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000813108952 674720521 /nfs/dbraw/zinc/72/05/21/674720521.db2.gz CPHPOOTZLHKDJK-HIFRSBDPSA-N 0 3 350.371 2.386 20 5 FEBDHN CC(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[N+](=O)[O-] ZINC000813109559 674720648 /nfs/dbraw/zinc/72/06/48/674720648.db2.gz LNSQWFOHWFOKPG-SNVBAGLBSA-N 0 3 356.325 2.025 20 5 FEBDHN CS(=O)(=O)c1cccc(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562518832 674764598 /nfs/dbraw/zinc/76/45/98/674764598.db2.gz LFGDYZZLODNWLA-UHFFFAOYSA-N 0 3 350.396 2.167 20 5 FEBDHN C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034887 674904524 /nfs/dbraw/zinc/90/45/24/674904524.db2.gz FUHIZHCXIJDDFH-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@@H]1CCC[N@@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034887 674904528 /nfs/dbraw/zinc/90/45/28/674904528.db2.gz FUHIZHCXIJDDFH-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@@H]1CCC[N@H+]1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034887 674904531 /nfs/dbraw/zinc/90/45/31/674904531.db2.gz FUHIZHCXIJDDFH-SECBINFHSA-N 0 3 365.814 2.150 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055400628 670350585 /nfs/dbraw/zinc/35/05/85/670350585.db2.gz PBOGBOHFRJYMRZ-NWDGAFQWSA-N 0 3 350.375 2.353 20 5 FEBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000065977973 670436000 /nfs/dbraw/zinc/43/60/00/670436000.db2.gz JQJZBRVYIUPDBZ-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000111635901 670860017 /nfs/dbraw/zinc/86/00/17/670860017.db2.gz QJNBRHAECCBKOE-ZDUSSCGKSA-N 0 3 350.375 2.416 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(F)c(F)c2)cc1 ZINC000571791268 670925788 /nfs/dbraw/zinc/92/57/88/670925788.db2.gz VRJXMOJTLKAQIM-UHFFFAOYSA-N 0 3 370.377 2.479 20 5 FEBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000566117421 675182792 /nfs/dbraw/zinc/18/27/92/675182792.db2.gz RPDGTYKPULFOKH-CQSZACIVSA-N 0 3 364.423 2.426 20 5 FEBDHN CC(C)[C@@H](O)C(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576227420 671353534 /nfs/dbraw/zinc/35/35/34/671353534.db2.gz UZLMIAXIZWRQCK-OAHLLOKOSA-N 0 3 358.460 2.001 20 5 FEBDHN COc1cc(C(=O)N(CCN(C)C)CC(C)C)cc([N+](=O)[O-])c1OC ZINC000610196804 675958753 /nfs/dbraw/zinc/95/87/53/675958753.db2.gz KHPZFQDRQVHGGP-UHFFFAOYSA-N 0 3 353.419 2.272 20 5 FEBDHN CCc1cccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000582790440 672034262 /nfs/dbraw/zinc/03/42/62/672034262.db2.gz QDZJZKXWGDKHQR-UHFFFAOYSA-N 0 3 363.439 2.225 20 5 FEBDHN C[C@@H](CN1CCC[C@H](C)C1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494838 672100169 /nfs/dbraw/zinc/10/01/69/672100169.db2.gz HIDSUMQLNKXWNN-GJZGRUSLSA-N 0 3 369.487 2.079 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000583766008 672124263 /nfs/dbraw/zinc/12/42/63/672124263.db2.gz OKHJKAOGYZEVBQ-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[NH+]1CCCCC1 ZINC000170656888 672323625 /nfs/dbraw/zinc/32/36/25/672323625.db2.gz FGOJCZCKCVRDET-UHFFFAOYSA-N 0 3 361.851 2.403 20 5 FEBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590442723 672583023 /nfs/dbraw/zinc/58/30/23/672583023.db2.gz GUXMFSXNBNVGEV-COPLHBTASA-N 0 3 353.806 2.178 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590445079 672583555 /nfs/dbraw/zinc/58/35/55/672583555.db2.gz QEBYRVMGRWEFPW-SWLSCSKDSA-N 0 3 365.455 2.109 20 5 FEBDHN CCOC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130362 672762415 /nfs/dbraw/zinc/76/24/15/672762415.db2.gz FMAXKEWTQJVNHV-BRWVUGGUSA-N 0 3 352.431 2.098 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000593555058 672941637 /nfs/dbraw/zinc/94/16/37/672941637.db2.gz BRLQTOIMHCBELF-UHFFFAOYSA-N 0 3 368.459 2.065 20 5 FEBDHN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594864207 673169900 /nfs/dbraw/zinc/16/99/00/673169900.db2.gz SMBYRJVOBQOANK-HNNXBMFYSA-N 0 3 369.487 2.177 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000539480939 673492412 /nfs/dbraw/zinc/49/24/12/673492412.db2.gz CNEKCZTYTCQUBT-KBPBESRZSA-N 0 3 372.878 2.164 20 5 FEBDHN CCCN1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598597981 673587809 /nfs/dbraw/zinc/58/78/09/673587809.db2.gz LHAFVWKSVACGHZ-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598600596 673588164 /nfs/dbraw/zinc/58/81/64/673588164.db2.gz VDDVPRIPIZFCIP-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598604912 673589009 /nfs/dbraw/zinc/58/90/09/673589009.db2.gz CLBVNWATCSWIBN-CABCVRRESA-N 0 3 367.471 2.316 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598617003 673591116 /nfs/dbraw/zinc/59/11/16/673591116.db2.gz DOYVDHFKKDSVSB-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106541 673633776 /nfs/dbraw/zinc/63/37/76/673633776.db2.gz VEVPHYPNOWWLEN-BDAKNGLRSA-N 0 3 367.349 2.032 20 5 FEBDHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106542 673633787 /nfs/dbraw/zinc/63/37/87/673633787.db2.gz VEVPHYPNOWWLEN-DTWKUNHWSA-N 0 3 367.349 2.032 20 5 FEBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000599389854 673668013 /nfs/dbraw/zinc/66/80/13/673668013.db2.gz DJWJWEKXEWOBFX-KRWDZBQOSA-N 0 3 367.471 2.421 20 5 FEBDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000544847588 673736367 /nfs/dbraw/zinc/73/63/67/673736367.db2.gz KSMGLUMIDAJIPZ-INIZCTEOSA-N 0 3 362.817 2.346 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467810 673771578 /nfs/dbraw/zinc/77/15/78/673771578.db2.gz CULWIFPRLTUGKK-HZSPNIEDSA-N 0 3 355.460 2.240 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000600469848 673772088 /nfs/dbraw/zinc/77/20/88/673772088.db2.gz LKKMKQYRKWSCCD-GFCCVEGCSA-N 0 3 351.378 2.489 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601356613 673847502 /nfs/dbraw/zinc/84/75/02/673847502.db2.gz SJPUQRBKWKVQIC-PWSUYJOCSA-N 0 3 361.489 2.316 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c([N+](=O)[O-])s1 ZINC000601372460 673850528 /nfs/dbraw/zinc/85/05/28/673850528.db2.gz YTWQAANKXQWOMY-RYUDHWBXSA-N 0 3 359.473 2.070 20 5 FEBDHN CN(C)CCCS(=O)(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000601428848 673860752 /nfs/dbraw/zinc/86/07/52/673860752.db2.gz GQDRHQHBAVIFGZ-HNNXBMFYSA-N 0 3 355.460 2.056 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000746662726 673888691 /nfs/dbraw/zinc/88/86/91/673888691.db2.gz HNMAWXHNMKHGHJ-CYBMUJFWSA-N 0 3 353.423 2.028 20 5 FEBDHN O=[N+]([O-])c1sc(CNCCCN2CCOCC2)cc1Br ZINC000602506570 673906953 /nfs/dbraw/zinc/90/69/53/673906953.db2.gz ZLYJTGCPPSLELH-UHFFFAOYSA-N 0 3 364.265 2.231 20 5 FEBDHN O=[N+]([O-])c1sc(CNCC[C@@]2(O)CCOC2)cc1Br ZINC000602700035 673910293 /nfs/dbraw/zinc/91/02/93/673910293.db2.gz QXOJKTDLZPCXBX-LLVKDONJSA-N 0 3 351.222 2.050 20 5 FEBDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000548021630 673915734 /nfs/dbraw/zinc/91/57/34/673915734.db2.gz SZKJGCGPXKTPTO-GFCCVEGCSA-N 0 3 350.448 2.052 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000829799944 677013499 /nfs/dbraw/zinc/01/34/99/677013499.db2.gz BUKBCVJDXXZSFE-CHWSQXEVSA-N 0 3 353.394 2.353 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CCO)c2cccs2)c1 ZINC000754380400 680352735 /nfs/dbraw/zinc/35/27/35/680352735.db2.gz CVKHOICIBOXCJZ-ZFWWWQNUSA-N 0 3 352.412 2.109 20 5 FEBDHN O=C(NCC1CCN(Cc2ccc(Cl)cc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399652 680460337 /nfs/dbraw/zinc/46/03/37/680460337.db2.gz MBAFHZDVKOJFKR-GDBMZVCRSA-N 0 3 369.824 2.473 20 5 FEBDHN CC(=O)N1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845872848 681157958 /nfs/dbraw/zinc/15/79/58/681157958.db2.gz PPOXYHJQSPHBCA-ZBEGNZNMSA-N 0 3 352.362 2.334 20 5 FEBDHN CC([C@H](OC(=O)CC1(CS(C)(=O)=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881208 681159110 /nfs/dbraw/zinc/15/91/10/681159110.db2.gz ZKQAJINBVICTCA-NHYWBVRUSA-N 0 3 373.402 2.290 20 5 FEBDHN CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000775999206 681355875 /nfs/dbraw/zinc/35/58/75/681355875.db2.gz HRNWAKXZOXNZRW-ZIAGYGMSSA-N 0 3 372.878 2.164 20 5 FEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000776600699 681414113 /nfs/dbraw/zinc/41/41/13/681414113.db2.gz FGMFXINDDVUJPU-KDOFPFPSSA-N 0 3 350.415 2.146 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000935112877 681690830 /nfs/dbraw/zinc/69/08/30/681690830.db2.gz JJIZXPZCIIRSNF-OCCSQVGLSA-N 0 3 355.485 2.434 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000781600245 681951883 /nfs/dbraw/zinc/95/18/83/681951883.db2.gz XKOAPLAPKNBXBK-UHFFFAOYSA-N 0 3 350.375 2.038 20 5 FEBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351369 682265147 /nfs/dbraw/zinc/26/51/47/682265147.db2.gz MZPJBYCLKISCNU-NILFDRSVSA-N 0 3 353.375 2.159 20 5 FEBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000918359787 685538756 /nfs/dbraw/zinc/53/87/56/685538756.db2.gz JPOHBARGTFOTCY-IYBDPMFKSA-N 0 3 371.434 2.005 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575436 682980909 /nfs/dbraw/zinc/98/09/09/682980909.db2.gz BJZWIVGSWBZWEO-XWIASGKRSA-N 0 3 368.821 2.080 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000862628989 683610680 /nfs/dbraw/zinc/61/06/80/683610680.db2.gz LSFPRSPZGFCUDA-LBPRGKRZSA-N 0 3 350.394 2.453 20 5 FEBDHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866210661 684083318 /nfs/dbraw/zinc/08/33/18/684083318.db2.gz AKISYWVPCRMYPZ-UHFFFAOYSA-N 0 3 368.865 2.473 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000866338755 684092867 /nfs/dbraw/zinc/09/28/67/684092867.db2.gz XHSVYBRVCSMHNF-SJORKVTESA-N 0 3 368.455 2.306 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000931296452 684257509 /nfs/dbraw/zinc/25/75/09/684257509.db2.gz HKBYZIUUCOXRGV-OLZOCXBDSA-N 0 3 368.821 2.311 20 5 FEBDHN C[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047712 684917113 /nfs/dbraw/zinc/91/71/13/684917113.db2.gz DARFZIONBFOUTN-LLVKDONJSA-N 0 3 371.434 2.341 20 5 FEBDHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133977 687003767 /nfs/dbraw/zinc/00/37/67/687003767.db2.gz KJQFZGRDYTWYHA-ZIAGYGMSSA-N 0 3 352.822 2.355 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc([N+](=O)[O-])c1F ZINC000882768856 687480027 /nfs/dbraw/zinc/48/00/27/687480027.db2.gz WLMVMYZMLCVJKU-UHFFFAOYSA-N 0 3 371.434 2.291 20 5 FEBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000882769247 687480765 /nfs/dbraw/zinc/48/07/65/687480765.db2.gz NCZXLJRRWUWXPF-UHFFFAOYSA-N 0 3 373.862 2.497 20 5 FEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135213 689301976 /nfs/dbraw/zinc/30/19/76/689301976.db2.gz NQBDDTISBBFVAB-MLGOLLRUSA-N 0 3 354.428 2.453 20 5 FEBDHN O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897219621 689989520 /nfs/dbraw/zinc/98/95/20/689989520.db2.gz MBASHQUWWORNJT-STQMWFEESA-N 0 3 370.247 2.393 20 5 FEBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC000897218245 689989768 /nfs/dbraw/zinc/98/97/68/689989768.db2.gz BPFFYISQCWYHAQ-STQMWFEESA-N 0 3 360.336 2.044 20 5 FEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)N1CCCC1 ZINC000897830373 690086850 /nfs/dbraw/zinc/08/68/50/690086850.db2.gz UCCWAJSXEWAJJH-SDNWHVSQSA-N 0 3 353.444 2.013 20 5 FEBDHN C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000900693638 690548892 /nfs/dbraw/zinc/54/88/92/690548892.db2.gz YZXSKCGJSVEOLQ-LLVKDONJSA-N 0 3 372.828 2.001 20 5 FEBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(CCCO)C1 ZINC000908541072 691695495 /nfs/dbraw/zinc/69/54/95/691695495.db2.gz PJGJOMXUGAEZPI-AWEZNQCLSA-N 0 3 369.849 2.144 20 5 FEBDHN O=C(NCCN1CCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000076250067 542250471 /nfs/dbraw/zinc/25/04/71/542250471.db2.gz IFVBBYKQGKJWOV-UHFFFAOYSA-N 0 3 357.414 2.386 20 5 FEBDHN CN(C)Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000030772234 539891222 /nfs/dbraw/zinc/89/12/22/539891222.db2.gz AFPREFZLARVBSX-UHFFFAOYSA-N 0 3 356.382 2.025 20 5 FEBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535762 539884485 /nfs/dbraw/zinc/88/44/85/539884485.db2.gz ZYSDEBDPBQMWEO-SWLSCSKDSA-N 0 3 360.366 2.414 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000031464364 539908116 /nfs/dbraw/zinc/90/81/16/539908116.db2.gz QZEXWPQCAIUIBF-UHFFFAOYSA-N 0 3 370.409 2.067 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000041361549 540018140 /nfs/dbraw/zinc/01/81/40/540018140.db2.gz MNKGTXNCJZDIRE-UHFFFAOYSA-N 0 3 366.487 2.074 20 5 FEBDHN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000041642049 540028894 /nfs/dbraw/zinc/02/88/94/540028894.db2.gz YFUJGYAJBQKAJT-MRXNPFEDSA-N 0 3 362.430 2.160 20 5 FEBDHN O=C(CCN1CCC(C(=O)N2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041896858 540038744 /nfs/dbraw/zinc/03/87/44/540038744.db2.gz YTXBJMOTBBBVBW-UHFFFAOYSA-N 0 3 374.441 2.258 20 5 FEBDHN CN(CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054762243 540607548 /nfs/dbraw/zinc/60/75/48/540607548.db2.gz WGCUBVXHPZKIMV-UHFFFAOYSA-N 0 3 371.441 2.438 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000054774892 540608575 /nfs/dbraw/zinc/60/85/75/540608575.db2.gz CROYCXDSBFGKAT-UHFFFAOYSA-N 0 3 374.372 2.278 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000055281145 540642555 /nfs/dbraw/zinc/64/25/55/540642555.db2.gz ZUGXTCIGTKBNSO-ZDUSSCGKSA-N 0 3 371.459 2.004 20 5 FEBDHN CCN(CC)S(=O)(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000060061455 540867193 /nfs/dbraw/zinc/86/71/93/540867193.db2.gz CHZZAEZYARHLOQ-UHFFFAOYSA-N 0 3 370.475 2.131 20 5 FEBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000067273375 541438889 /nfs/dbraw/zinc/43/88/89/541438889.db2.gz RQHNCKASWPIWJE-CYBMUJFWSA-N 0 3 363.414 2.232 20 5 FEBDHN Cc1nn(CCC(=O)N2C[C@H](N(C)C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000067206624 541432966 /nfs/dbraw/zinc/43/29/66/541432966.db2.gz OSCOZXICOFABSK-MRXNPFEDSA-N 0 3 371.441 2.318 20 5 FEBDHN O=C1[C@H](N2CC[C@H](N3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399689 541457379 /nfs/dbraw/zinc/45/73/79/541457379.db2.gz DYSFYHKGNOSVTL-ZWKOTPCHSA-N 0 3 358.442 2.260 20 5 FEBDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000068576385 541611559 /nfs/dbraw/zinc/61/15/59/541611559.db2.gz ZRBBCLZSPMXKNB-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN COc1cc(OCC(=O)NCC(C)(C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000069125242 541660763 /nfs/dbraw/zinc/66/07/63/541660763.db2.gz GYPKXKKXENGGLY-UHFFFAOYSA-N 0 3 365.430 2.363 20 5 FEBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000069425392 541685888 /nfs/dbraw/zinc/68/58/88/541685888.db2.gz NEXDTVGQKFJBLP-HNNXBMFYSA-N 0 3 364.446 2.393 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc([N+](=O)[O-])c1 ZINC000073996342 542024293 /nfs/dbraw/zinc/02/42/93/542024293.db2.gz PGEFYRIIHNELRV-LSDHHAIUSA-N 0 3 361.398 2.080 20 5 FEBDHN CN(C)c1cccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075839071 542207674 /nfs/dbraw/zinc/20/76/74/542207674.db2.gz QJFKVISUWFYELI-ROUUACIJSA-N 0 3 359.430 2.055 20 5 FEBDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080272460 542581377 /nfs/dbraw/zinc/58/13/77/542581377.db2.gz CGMYLOXNJBPYPU-UHFFFAOYSA-N 0 3 370.409 2.124 20 5 FEBDHN C[C@H](CC1CCCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015483 542780954 /nfs/dbraw/zinc/78/09/54/542780954.db2.gz OCFMCGGVXPFTQT-CYBMUJFWSA-N 0 3 355.460 2.432 20 5 FEBDHN CC[C@H]1CN(C)c2ccccc2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552115 542786223 /nfs/dbraw/zinc/78/62/23/542786223.db2.gz UJCQTDWPEXOUGM-INIZCTEOSA-N 0 3 356.426 2.487 20 5 FEBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092641116 542876392 /nfs/dbraw/zinc/87/63/92/542876392.db2.gz PVWUJUFBUKBSBB-KRWDZBQOSA-N 0 3 371.441 2.498 20 5 FEBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092641117 542876431 /nfs/dbraw/zinc/87/64/31/542876431.db2.gz PVWUJUFBUKBSBB-QGZVFWFLSA-N 0 3 371.441 2.498 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000105326010 543171786 /nfs/dbraw/zinc/17/17/86/543171786.db2.gz CKODQCZIZZOLSC-SNVBAGLBSA-N 0 3 373.356 2.371 20 5 FEBDHN COc1cc(C(=O)NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000108326770 543286501 /nfs/dbraw/zinc/28/65/01/543286501.db2.gz RIYVUOJZIQSSCU-SNVBAGLBSA-N 0 3 373.356 2.276 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000109013520 543311394 /nfs/dbraw/zinc/31/13/94/543311394.db2.gz MELTWSUJPMFXPX-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109987170 543345506 /nfs/dbraw/zinc/34/55/06/543345506.db2.gz IKLDQANEDPJOKK-CHWSQXEVSA-N 0 3 372.425 2.287 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114467544 543518613 /nfs/dbraw/zinc/51/86/13/543518613.db2.gz QHZIFJVIEYKWKT-FXAWDEMLSA-N 0 3 372.421 2.316 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000122899371 543730517 /nfs/dbraw/zinc/73/05/17/543730517.db2.gz VJDXDODJAASHCS-UHFFFAOYSA-N 0 3 358.398 2.047 20 5 FEBDHN Cc1sc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000122979873 543734804 /nfs/dbraw/zinc/73/48/04/543734804.db2.gz JBUBJGUJFRJGFD-UHFFFAOYSA-N 0 3 361.489 2.458 20 5 FEBDHN CN(C)CCOc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1Cl ZINC000123253785 543751394 /nfs/dbraw/zinc/75/13/94/543751394.db2.gz XDOFBIPEFFUDBS-UHFFFAOYSA-N 0 3 367.793 2.174 20 5 FEBDHN Cc1cc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000126918182 543963692 /nfs/dbraw/zinc/96/36/92/543963692.db2.gz ZLJOAPJFKVVMHQ-INIZCTEOSA-N 0 3 373.409 2.457 20 5 FEBDHN Cc1c(CC(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000128776562 544072747 /nfs/dbraw/zinc/07/27/47/544072747.db2.gz IIGARWPYUJGLJG-GASCZTMLSA-N 0 3 363.458 2.451 20 5 FEBDHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130713823 544161974 /nfs/dbraw/zinc/16/19/74/544161974.db2.gz ZXOAPGYLVYYNJK-GJZGRUSLSA-N 0 3 369.487 2.382 20 5 FEBDHN CC1(C)NC(=O)N(CCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000130908416 544170357 /nfs/dbraw/zinc/17/03/57/544170357.db2.gz PTQJLKHHRQCZEW-UHFFFAOYSA-N 0 3 360.414 2.280 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134598429 544314642 /nfs/dbraw/zinc/31/46/42/544314642.db2.gz FAIODUBRPDODRG-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN NC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328451 /nfs/dbraw/zinc/32/84/51/544328451.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 0 3 358.442 2.142 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000150876657 544482379 /nfs/dbraw/zinc/48/23/79/544482379.db2.gz DJZMFJKRPYZLMY-HIFRSBDPSA-N 0 3 356.430 2.456 20 5 FEBDHN CN1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000153193900 544745823 /nfs/dbraw/zinc/74/58/23/544745823.db2.gz IHMVPEHADUSVNT-NSHDSACASA-N 0 3 370.247 2.358 20 5 FEBDHN C[C@@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980275 327619658 /nfs/dbraw/zinc/61/96/58/327619658.db2.gz FGVTXJQSQCRVFV-QMTHXVAHSA-N 0 3 361.851 2.434 20 5 FEBDHN CC1CCN(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182681559 327784642 /nfs/dbraw/zinc/78/46/42/327784642.db2.gz MAKSFHDQYNXVOW-UHFFFAOYSA-N 0 3 368.821 2.035 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccccc1 ZINC000183626125 327827302 /nfs/dbraw/zinc/82/73/02/327827302.db2.gz DZQPSNQMQYZPEC-INIZCTEOSA-N 0 3 359.382 2.255 20 5 FEBDHN CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000188209449 328073567 /nfs/dbraw/zinc/07/35/67/328073567.db2.gz ANFJUWGVVATUIB-MRXNPFEDSA-N 0 3 357.476 2.381 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1CCN(CCO)CC1 ZINC000191336293 328260740 /nfs/dbraw/zinc/26/07/40/328260740.db2.gz PXYUCYFIZDNAGT-UHFFFAOYSA-N 0 3 350.419 2.037 20 5 FEBDHN CN1C(=O)C[C@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192152405 328303085 /nfs/dbraw/zinc/30/30/85/328303085.db2.gz RXDKQCYFMJLUNC-BBRMVZONSA-N 0 3 363.805 2.006 20 5 FEBDHN CN1C(=O)C[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000192155076 328303312 /nfs/dbraw/zinc/30/33/12/328303312.db2.gz GSLIUDXVZLZIMB-GOEBONIOSA-N 0 3 363.805 2.006 20 5 FEBDHN CN1CCN(CC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000194495838 328427681 /nfs/dbraw/zinc/42/76/81/328427681.db2.gz FZWFJBWGXOIBRQ-UHFFFAOYSA-N 0 3 361.446 2.086 20 5 FEBDHN COCCN(C)CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080080431 325117191 /nfs/dbraw/zinc/11/71/91/325117191.db2.gz AHFSKVPGXALBKK-UHFFFAOYSA-N 0 3 352.435 2.097 20 5 FEBDHN NC(=O)CC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104674573 325542500 /nfs/dbraw/zinc/54/25/00/325542500.db2.gz LPEZRWKBPQLGGX-UHFFFAOYSA-N 0 3 358.398 2.380 20 5 FEBDHN CCCCN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118114536 326082166 /nfs/dbraw/zinc/08/21/66/326082166.db2.gz XIWVBFCTGRDAPQ-UHFFFAOYSA-N 0 3 356.810 2.035 20 5 FEBDHN Cc1c(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000118792932 326102703 /nfs/dbraw/zinc/10/27/03/326102703.db2.gz OGVXVTDTZAQUDY-CQSZACIVSA-N 0 3 350.419 2.478 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000119877902 326207803 /nfs/dbraw/zinc/20/78/03/326207803.db2.gz RHSHOTGYQDFFKJ-CYBMUJFWSA-N 0 3 353.444 2.157 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120625880 326274036 /nfs/dbraw/zinc/27/40/36/326274036.db2.gz IIAVQJLWRMOHTP-GXFFZTMASA-N 0 3 350.375 2.224 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1[N+](=O)[O-] ZINC000122347896 326393384 /nfs/dbraw/zinc/39/33/84/326393384.db2.gz XJMNXUDVPWQHNL-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000122421614 326396064 /nfs/dbraw/zinc/39/60/64/326396064.db2.gz IHHBWEXPUPPJOC-UKRRQHHQSA-N 0 3 353.444 2.008 20 5 FEBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123492685 326433623 /nfs/dbraw/zinc/43/36/23/326433623.db2.gz QYCCLAXWLXRUGT-UHFFFAOYSA-N 0 3 361.489 2.365 20 5 FEBDHN CC(C)OCCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000159218424 326923264 /nfs/dbraw/zinc/92/32/64/326923264.db2.gz RPMPSEUIWUWOKP-UHFFFAOYSA-N 0 3 367.421 2.282 20 5 FEBDHN CC(C)(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000160535534 326968735 /nfs/dbraw/zinc/96/87/35/326968735.db2.gz LNEOOVCEQOKSNG-UHFFFAOYSA-N 0 3 369.487 2.321 20 5 FEBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000161959049 327013335 /nfs/dbraw/zinc/01/33/35/327013335.db2.gz UITFTOXESQSKFA-NSHDSACASA-N 0 3 355.441 2.285 20 5 FEBDHN Cc1c([C@H](C)NCCN2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000164279128 327067827 /nfs/dbraw/zinc/06/78/27/327067827.db2.gz JGNUMBGJXMNZET-INIZCTEOSA-N 0 3 370.457 2.166 20 5 FEBDHN CN(C)CCNC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172177678 327185756 /nfs/dbraw/zinc/18/57/56/327185756.db2.gz SDXOXMLZTKRQQC-UHFFFAOYSA-N 0 3 368.865 2.138 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](OCCO)C3)o2)c1 ZINC000172301544 327194166 /nfs/dbraw/zinc/19/41/66/327194166.db2.gz DUPRBKBSKZXGOZ-INIZCTEOSA-N 0 3 361.398 2.266 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000172485178 327203652 /nfs/dbraw/zinc/20/36/52/327203652.db2.gz AUMPGGCGFNOZAS-DOTOQJQBSA-N 0 3 371.441 2.303 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173239862 327243309 /nfs/dbraw/zinc/24/33/09/327243309.db2.gz ZNJPWGVKOZQXKQ-WFASDCNBSA-N 0 3 355.460 2.118 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1C ZINC000173243022 327243658 /nfs/dbraw/zinc/24/36/58/327243658.db2.gz GGFXVZRTQNGLRK-SWLSCSKDSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1ccc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000173762405 327282112 /nfs/dbraw/zinc/28/21/12/327282112.db2.gz FEJGTHHDWRUOKH-INIZCTEOSA-N 0 3 360.414 2.004 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173827671 327287063 /nfs/dbraw/zinc/28/70/63/327287063.db2.gz ILAWRDCIHDWZDI-ZIAGYGMSSA-N 0 3 353.444 2.151 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1CC ZINC000173828151 327287307 /nfs/dbraw/zinc/28/73/07/327287307.db2.gz JJHDEDZOXVDWHV-GOEBONIOSA-N 0 3 367.471 2.405 20 5 FEBDHN Cc1ccc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000174737166 327346965 /nfs/dbraw/zinc/34/69/65/327346965.db2.gz BQXMYPAIAKKCPY-KRWDZBQOSA-N 0 3 374.441 2.312 20 5 FEBDHN CN(C(=O)CN1CCNC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000261718245 328814353 /nfs/dbraw/zinc/81/43/53/328814353.db2.gz KYKRQOIHEWJWRZ-GOSISDBHSA-N 0 3 372.400 2.343 20 5 FEBDHN COc1ccccc1[C@@H]1CNCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261862998 328825162 /nfs/dbraw/zinc/82/51/62/328825162.db2.gz WPABFJZBJWEPIG-KRWDZBQOSA-N 0 3 370.409 2.188 20 5 FEBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262243914 328853748 /nfs/dbraw/zinc/85/37/48/328853748.db2.gz PHURJARMGPFLIE-UHFFFAOYSA-N 0 3 361.789 2.305 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1NCCc2ccccc21 ZINC000262464906 328867513 /nfs/dbraw/zinc/86/75/13/328867513.db2.gz XRVRRLXQYBZXME-MRXNPFEDSA-N 0 3 359.357 2.116 20 5 FEBDHN Cc1nn(CCC(=O)NCc2ccccc2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000263648384 328948864 /nfs/dbraw/zinc/94/88/64/328948864.db2.gz GEIDIHNRFLFMQP-UHFFFAOYSA-N 0 3 359.430 2.176 20 5 FEBDHN CCCN(C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266190969 329198703 /nfs/dbraw/zinc/19/87/03/329198703.db2.gz GANBNIDKZHZAKU-ZDUSSCGKSA-N 0 3 355.460 2.166 20 5 FEBDHN Cc1nn(C)c(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000266213737 329200983 /nfs/dbraw/zinc/20/09/83/329200983.db2.gz GOAZAVOQQGOSLP-UHFFFAOYSA-N 0 3 359.430 2.206 20 5 FEBDHN CCN1CCN([C@@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011342 329282826 /nfs/dbraw/zinc/28/28/26/329282826.db2.gz HLPRNRVSICADKX-MRXNPFEDSA-N 0 3 352.866 2.460 20 5 FEBDHN CN(C)[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCSC1 ZINC000267041808 329285848 /nfs/dbraw/zinc/28/58/48/329285848.db2.gz CSIXFWDUTIEKAY-MRXNPFEDSA-N 0 3 350.444 2.329 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267988188 329374419 /nfs/dbraw/zinc/37/44/19/329374419.db2.gz ZUMCGQDALGCGSW-QMMMGPOBSA-N 0 3 360.183 2.178 20 5 FEBDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000268892494 329465547 /nfs/dbraw/zinc/46/55/47/329465547.db2.gz AUOGNBGGGGDYJZ-CYBMUJFWSA-N 0 3 363.439 2.396 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCCN(C)C)c2)c1 ZINC000270710986 329624567 /nfs/dbraw/zinc/62/45/67/329624567.db2.gz ZQZPMCJYBWHNHE-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271965224 329741057 /nfs/dbraw/zinc/74/10/57/329741057.db2.gz GNRXTMWXNVSKOM-DZGCQCFKSA-N 0 3 374.846 2.074 20 5 FEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862871 329818897 /nfs/dbraw/zinc/81/88/97/329818897.db2.gz SEWVSVBIEFOTJJ-ACJLOTCBSA-N 0 3 374.441 2.277 20 5 FEBDHN O=[N+]([O-])c1cnn(CCN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000377933934 330253013 /nfs/dbraw/zinc/25/30/13/330253013.db2.gz XVNWEJNNUCGYNI-UHFFFAOYSA-N 0 3 369.223 2.087 20 5 FEBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159800304 545982193 /nfs/dbraw/zinc/98/21/93/545982193.db2.gz WERVBRSEIWDUFJ-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000478568660 561169790 /nfs/dbraw/zinc/16/97/90/561169790.db2.gz XKOBTQQEWQWGMW-KGLIPLIRSA-N 0 3 372.429 2.168 20 5 FEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000160161505 546013633 /nfs/dbraw/zinc/01/36/33/546013633.db2.gz DQWAYXGNLCKUGE-LBPRGKRZSA-N 0 3 361.851 2.434 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000170809350 546177750 /nfs/dbraw/zinc/17/77/50/546177750.db2.gz CJBKRTMIZYHYOD-ZDUSSCGKSA-N 0 3 353.444 2.157 20 5 FEBDHN NC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000479202257 561184277 /nfs/dbraw/zinc/18/42/77/561184277.db2.gz BLTFTYVPFDLATR-SFHVURJKSA-N 0 3 372.400 2.125 20 5 FEBDHN O=C1NC2(CCCC2)C(=O)N1CCCCNCc1csc([N+](=O)[O-])c1 ZINC000479884409 561198727 /nfs/dbraw/zinc/19/87/27/561198727.db2.gz NENPRGLHJGKXKC-UHFFFAOYSA-N 0 3 366.443 2.391 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000176975515 546516725 /nfs/dbraw/zinc/51/67/25/546516725.db2.gz DAIIQQNPWDZZAN-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN C[C@H](CCc1ccco1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000249 546721139 /nfs/dbraw/zinc/72/11/39/546721139.db2.gz JHBKQWSNNRFHFT-CYBMUJFWSA-N 0 3 367.427 2.077 20 5 FEBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425757 561232582 /nfs/dbraw/zinc/23/25/82/561232582.db2.gz LOXZHQJGEMZMJQ-FFSVYQOJSA-N 0 3 368.821 2.171 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000178944510 546877872 /nfs/dbraw/zinc/87/78/72/546877872.db2.gz ZRBQSYSJSDZYCU-CABCVRRESA-N 0 3 369.487 2.177 20 5 FEBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1CN1CCCC1 ZINC000179219708 546916831 /nfs/dbraw/zinc/91/68/31/546916831.db2.gz GPCOQNOESPHETL-HNNXBMFYSA-N 0 3 369.425 2.481 20 5 FEBDHN CC[C@H]1Oc2cc([C@@H](C)NCCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004940 547037348 /nfs/dbraw/zinc/03/73/48/547037348.db2.gz HXFFOEMQQZTXNV-BXUZGUMPSA-N 0 3 359.386 2.252 20 5 FEBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000180617444 547143862 /nfs/dbraw/zinc/14/38/62/547143862.db2.gz BOGJINGCBNZDGF-OAHLLOKOSA-N 0 3 359.382 2.269 20 5 FEBDHN COc1cnccc1N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000483202674 561270271 /nfs/dbraw/zinc/27/02/71/561270271.db2.gz ZMFWADZFLGRQIN-UHFFFAOYSA-N 0 3 358.398 2.199 20 5 FEBDHN CNc1c(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000483378801 561275323 /nfs/dbraw/zinc/27/53/23/561275323.db2.gz FMRWETIFLHBQDL-LSDHHAIUSA-N 0 3 364.471 2.288 20 5 FEBDHN CC(C)CCO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181976379 547416547 /nfs/dbraw/zinc/41/65/47/547416547.db2.gz JXOZPOXZTYBMBG-JKSUJKDBSA-N 0 3 352.431 2.472 20 5 FEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)CCc3ccccc3)C2)nc1 ZINC000182524640 547508644 /nfs/dbraw/zinc/50/86/44/547508644.db2.gz LNWSSGLSTMUDCD-FUHWJXTLSA-N 0 3 356.426 2.470 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183590786 547686519 /nfs/dbraw/zinc/68/65/19/547686519.db2.gz TYBBFSGEQQEHQQ-UHFFFAOYSA-N 0 3 359.386 2.252 20 5 FEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638212 561301910 /nfs/dbraw/zinc/30/19/10/561301910.db2.gz XAZZDBDBYKJAFM-DUVNUKRYSA-N 0 3 351.403 2.014 20 5 FEBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000183911748 547739142 /nfs/dbraw/zinc/73/91/42/547739142.db2.gz RRFUUWDKYCAXGG-OAHLLOKOSA-N 0 3 359.430 2.215 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000184176434 547781223 /nfs/dbraw/zinc/78/12/23/547781223.db2.gz NYMYYEWIYPJCSW-UHFFFAOYSA-N 0 3 368.865 2.394 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184193255 547784341 /nfs/dbraw/zinc/78/43/41/547784341.db2.gz KWWBBQDMSVPCIM-UHFFFAOYSA-N 0 3 368.865 2.394 20 5 FEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186042867 548076438 /nfs/dbraw/zinc/07/64/38/548076438.db2.gz QVLZBMRORMTWKT-LBPRGKRZSA-N 0 3 369.853 2.396 20 5 FEBDHN Cc1c(C(=O)N(C)CCN(C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186801235 548196583 /nfs/dbraw/zinc/19/65/83/548196583.db2.gz SATVKIULCODFLQ-UHFFFAOYSA-N 0 3 350.375 2.286 20 5 FEBDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000194869240 548543103 /nfs/dbraw/zinc/54/31/03/548543103.db2.gz NJAHDSLZVMESRN-GOSISDBHSA-N 0 3 363.414 2.105 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487501357 561370959 /nfs/dbraw/zinc/37/09/59/561370959.db2.gz KLRAMUJDMYOZAH-UHFFFAOYSA-N 0 3 353.382 2.463 20 5 FEBDHN CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487953546 561379780 /nfs/dbraw/zinc/37/97/80/561379780.db2.gz RISSLKYOKDHZMR-OAHLLOKOSA-N 0 3 354.838 2.459 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248433364 549436407 /nfs/dbraw/zinc/43/64/07/549436407.db2.gz XFOXNBZCJOGMFC-DZGCQCFKSA-N 0 3 355.460 2.087 20 5 FEBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC000248478022 549447708 /nfs/dbraw/zinc/44/77/08/549447708.db2.gz ZAWBHXKGGXVMKS-UKRRQHHQSA-N 0 3 360.414 2.077 20 5 FEBDHN Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248477331 549447891 /nfs/dbraw/zinc/44/78/91/549447891.db2.gz OQMCGUCTGBTBCI-QMTHXVAHSA-N 0 3 359.423 2.003 20 5 FEBDHN O=C([C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000255555412 549707739 /nfs/dbraw/zinc/70/77/39/549707739.db2.gz XXJNNFASJFUPRX-SVEBXFOSSA-N 0 3 359.426 2.179 20 5 FEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261666426 549740490 /nfs/dbraw/zinc/74/04/90/549740490.db2.gz HILXBRGDXRSFST-DOPJRALCSA-N 0 3 354.410 2.349 20 5 FEBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797172 550307952 /nfs/dbraw/zinc/30/79/52/550307952.db2.gz FJJFPMKIRFGPPQ-HKUYNNGSSA-N 0 3 369.421 2.208 20 5 FEBDHN C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000270973283 550327497 /nfs/dbraw/zinc/32/74/97/550327497.db2.gz UFJWCUZTDJEDLX-UKRRQHHQSA-N 0 3 357.414 2.111 20 5 FEBDHN COCCCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000271546992 550384511 /nfs/dbraw/zinc/38/45/11/550384511.db2.gz KULOEMWOSFHPNA-UHFFFAOYSA-N 0 3 353.419 2.217 20 5 FEBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521064 550455264 /nfs/dbraw/zinc/45/52/64/550455264.db2.gz PXHNNOONLFWLMO-QWHCGFSZSA-N 0 3 353.423 2.026 20 5 FEBDHN CN1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000272550188 550457351 /nfs/dbraw/zinc/45/73/51/550457351.db2.gz CYJCTYSUUQNRHX-BEFAXECRSA-N 0 3 372.469 2.364 20 5 FEBDHN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272846078 550473302 /nfs/dbraw/zinc/47/33/02/550473302.db2.gz GXCODDNUDSFKBS-CYBMUJFWSA-N 0 3 355.398 2.161 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000274934214 550565912 /nfs/dbraw/zinc/56/59/12/550565912.db2.gz OYEUFSCAECNYNE-NUJGCVRESA-N 0 3 360.414 2.277 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccncc1OCCN(C)C ZINC000494751077 561475813 /nfs/dbraw/zinc/47/58/13/561475813.db2.gz IZCPOSNUCBMALS-UHFFFAOYSA-N 0 3 358.398 2.169 20 5 FEBDHN COc1ccc(NC(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277507788 550678939 /nfs/dbraw/zinc/67/89/39/550678939.db2.gz PWOXXKBYZQIXHP-ZDUSSCGKSA-N 0 3 366.418 2.226 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277629729 550694231 /nfs/dbraw/zinc/69/42/31/550694231.db2.gz JHBAYJUEDVHQTC-OAHLLOKOSA-N 0 3 364.446 2.237 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000281085377 551061913 /nfs/dbraw/zinc/06/19/13/551061913.db2.gz RWKNZQZNHQVJGI-NVXWUHKLSA-N 0 3 369.425 2.243 20 5 FEBDHN CC[C@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281413576 551094351 /nfs/dbraw/zinc/09/43/51/551094351.db2.gz OHYBUGSDEKTALJ-ZDUSSCGKSA-N 0 3 351.403 2.433 20 5 FEBDHN CN1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000281667372 551128398 /nfs/dbraw/zinc/12/83/98/551128398.db2.gz CZAVFJHBDYKRHM-UHFFFAOYSA-N 0 3 354.838 2.004 20 5 FEBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000281933649 551159377 /nfs/dbraw/zinc/15/93/77/551159377.db2.gz DMNTWTZKQUCKOE-MRXNPFEDSA-N 0 3 363.414 2.481 20 5 FEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276655 551340347 /nfs/dbraw/zinc/34/03/47/551340347.db2.gz WXHSFCUJCATINT-VXGBXAGGSA-N 0 3 367.402 2.109 20 5 FEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750851 551421686 /nfs/dbraw/zinc/42/16/86/551421686.db2.gz OMRQUYQNTPJFLX-YGRLFVJLSA-N 0 3 350.394 2.012 20 5 FEBDHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285150276 551711650 /nfs/dbraw/zinc/71/16/50/551711650.db2.gz PYYCKXNBSNAQFC-UHFFFAOYSA-N 0 3 370.413 2.102 20 5 FEBDHN Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c1F ZINC000285236466 551724718 /nfs/dbraw/zinc/72/47/18/551724718.db2.gz BLNIIBLTIBVDML-FUNVUKJBSA-N 0 3 371.434 2.288 20 5 FEBDHN CCOc1ccc(NC(=O)CN2C[C@@H](C)N(CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000498928056 561538229 /nfs/dbraw/zinc/53/82/29/561538229.db2.gz HUKGHZMKDQKOHO-ZIAGYGMSSA-N 0 3 364.446 2.347 20 5 FEBDHN COC(=O)c1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000285875801 551822150 /nfs/dbraw/zinc/82/21/50/551822150.db2.gz QOIGIPQOJQAVAZ-BLLLJJGKSA-N 0 3 361.398 2.080 20 5 FEBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000286523788 551896218 /nfs/dbraw/zinc/89/62/18/551896218.db2.gz VMQVILGJJSLMOU-GJZGRUSLSA-N 0 3 372.425 2.401 20 5 FEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733705 551920102 /nfs/dbraw/zinc/92/01/02/551920102.db2.gz OBRRFYZOZWKARN-PBHICJAKSA-N 0 3 367.471 2.026 20 5 FEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787299 551925911 /nfs/dbraw/zinc/92/59/11/551925911.db2.gz RVSGOWALDSBYSW-HOCLYGCPSA-N 0 3 367.471 2.026 20 5 FEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954761 551944436 /nfs/dbraw/zinc/94/44/36/551944436.db2.gz HOZLICXRFSCCOM-OLZOCXBDSA-N 0 3 356.444 2.469 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288658718 552193397 /nfs/dbraw/zinc/19/33/97/552193397.db2.gz AMTBFLZARIEXKK-ZDUSSCGKSA-N 0 3 350.419 2.078 20 5 FEBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288772678 552209861 /nfs/dbraw/zinc/20/98/61/552209861.db2.gz JTPOFNYHQZSGCA-NSHDSACASA-N 0 3 370.837 2.423 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000288864690 552227000 /nfs/dbraw/zinc/22/70/00/552227000.db2.gz LHQKZELLPZDGSY-IRXDYDNUSA-N 0 3 373.457 2.415 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000289197750 552280945 /nfs/dbraw/zinc/28/09/45/552280945.db2.gz UMODVPUPVVDJTP-UHFFFAOYSA-N 0 3 362.430 2.176 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000289280032 552294258 /nfs/dbraw/zinc/29/42/58/552294258.db2.gz ZCIFVQHIIWDHMD-DZGCQCFKSA-N 0 3 374.441 2.235 20 5 FEBDHN C[C@]1(C[C@@H]2CCCN2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623598 552351673 /nfs/dbraw/zinc/35/16/73/552351673.db2.gz LQFFZDTYDIVCEI-RXOXKVCUSA-N 0 3 358.398 2.061 20 5 FEBDHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000500548597 561576691 /nfs/dbraw/zinc/57/66/91/561576691.db2.gz VFPPDBIMLZJNSR-FZMZJTMJSA-N 0 3 361.851 2.056 20 5 FEBDHN CCS(=O)(=O)NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290787243 552538157 /nfs/dbraw/zinc/53/81/57/552538157.db2.gz CUHGXDQYQDQVJM-UHFFFAOYSA-N 0 3 370.258 2.321 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291615377 552643489 /nfs/dbraw/zinc/64/34/89/552643489.db2.gz BOKSTHRURHZFCY-HNNXBMFYSA-N 0 3 373.862 2.273 20 5 FEBDHN COc1ccc(OCCN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000292044442 552687800 /nfs/dbraw/zinc/68/78/00/552687800.db2.gz ASTWXNXIUHEQTC-SCLBCKFNSA-N 0 3 373.409 2.229 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293007588 552779850 /nfs/dbraw/zinc/77/98/50/552779850.db2.gz JOSUQKJWQJRLNH-QGZVFWFLSA-N 0 3 365.430 2.319 20 5 FEBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098087 553104316 /nfs/dbraw/zinc/10/43/16/553104316.db2.gz HTNHMOHJNZOZDY-CVEARBPZSA-N 0 3 363.414 2.479 20 5 FEBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N(C)C)cc1OC ZINC000296552428 553178506 /nfs/dbraw/zinc/17/85/06/553178506.db2.gz OXASDHIRPDEDEU-AWEZNQCLSA-N 0 3 361.402 2.425 20 5 FEBDHN Cc1cc(F)c(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000296740353 553205485 /nfs/dbraw/zinc/20/54/85/553205485.db2.gz NCXJBKMEPGLRBJ-UHFFFAOYSA-N 0 3 367.425 2.190 20 5 FEBDHN Cc1nc(NCc2ccc(CN3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000297240106 553268048 /nfs/dbraw/zinc/26/80/48/553268048.db2.gz USQJESRBKXPTIV-UHFFFAOYSA-N 0 3 357.414 2.262 20 5 FEBDHN COC(=O)Cc1ccc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000297550128 553307762 /nfs/dbraw/zinc/30/77/62/553307762.db2.gz QTFXFUHITQIKNT-MRXNPFEDSA-N 0 3 353.444 2.160 20 5 FEBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803019 553340825 /nfs/dbraw/zinc/34/08/25/553340825.db2.gz IAQUJGHAMXMJHF-OCCSQVGLSA-N 0 3 362.430 2.078 20 5 FEBDHN CN(C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000298307067 553410692 /nfs/dbraw/zinc/41/06/92/553410692.db2.gz QIBOHUSGMNRYKP-UHFFFAOYSA-N 0 3 371.393 2.358 20 5 FEBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)c1cccc(Br)c1 ZINC000298410934 553422116 /nfs/dbraw/zinc/42/21/16/553422116.db2.gz PCZKZSOJOFJPRI-CYBMUJFWSA-N 0 3 369.219 2.219 20 5 FEBDHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503514726 561643223 /nfs/dbraw/zinc/64/32/23/561643223.db2.gz AZVJHOHCRNDNJH-LDYMZIIASA-N 0 3 373.312 2.012 20 5 FEBDHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524867 553436023 /nfs/dbraw/zinc/43/60/23/553436023.db2.gz VZZAMCAMFDSMKL-UGSOOPFHSA-N 0 3 370.409 2.171 20 5 FEBDHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524848 553436116 /nfs/dbraw/zinc/43/61/16/553436116.db2.gz VZZAMCAMFDSMKL-FZKQIMNGSA-N 0 3 370.409 2.171 20 5 FEBDHN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(OCCN2CCCC2)cc1 ZINC000503638608 561645756 /nfs/dbraw/zinc/64/57/56/561645756.db2.gz VSCMBCHJFSBLDB-UHFFFAOYSA-N 0 3 373.413 2.080 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298999708 553501596 /nfs/dbraw/zinc/50/15/96/553501596.db2.gz JVDQRUDBTBKHJB-CQSZACIVSA-N 0 3 373.457 2.080 20 5 FEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000299093814 553514518 /nfs/dbraw/zinc/51/45/18/553514518.db2.gz ONTPMBPCDFHKOL-OLZOCXBDSA-N 0 3 365.430 2.462 20 5 FEBDHN Cc1n[nH]c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000299455335 553565624 /nfs/dbraw/zinc/56/56/24/553565624.db2.gz VJXCCKGWCUXGNY-UHFFFAOYSA-N 0 3 357.414 2.329 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(N3CCCN(Cc4ccccc4)CC3)nn21 ZINC000301839089 553684801 /nfs/dbraw/zinc/68/48/01/553684801.db2.gz NWVNCJFXSJUNSS-UHFFFAOYSA-N 0 3 352.398 2.350 20 5 FEBDHN CC(C)N1CCN(c2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)CC1 ZINC000301986255 553696083 /nfs/dbraw/zinc/69/60/83/553696083.db2.gz ZFORMAAWDMDNBJ-UHFFFAOYSA-N 0 3 357.418 2.241 20 5 FEBDHN Cc1ccnc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302492215 553718314 /nfs/dbraw/zinc/71/83/14/553718314.db2.gz ZNAPZYKAVLSYSP-IBGZPJMESA-N 0 3 356.426 2.371 20 5 FEBDHN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)CN(C)C1CC1 ZINC000314610127 553759501 /nfs/dbraw/zinc/75/95/01/553759501.db2.gz YVWQUSYHEDABLQ-LBPRGKRZSA-N 0 3 359.220 2.500 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000330879788 554182341 /nfs/dbraw/zinc/18/23/41/554182341.db2.gz AYPLQHKYWMNOBO-ZIAGYGMSSA-N 0 3 355.460 2.254 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1C ZINC000332088415 554378280 /nfs/dbraw/zinc/37/82/80/554378280.db2.gz UAEISEABJQPPSR-HOCLYGCPSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253766 554411044 /nfs/dbraw/zinc/41/10/44/554411044.db2.gz YNXTWCCIRPGQOQ-GJZGRUSLSA-N 0 3 367.471 2.316 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177392 554954257 /nfs/dbraw/zinc/95/42/57/554954257.db2.gz JVLPVTQMBCZFRR-DZGCQCFKSA-N 0 3 361.377 2.195 20 5 FEBDHN CCc1n[n-]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177392 554954258 /nfs/dbraw/zinc/95/42/58/554954258.db2.gz JVLPVTQMBCZFRR-DZGCQCFKSA-N 0 3 361.377 2.195 20 5 FEBDHN COc1ccc([C@@H]2C[C@@H](C)CN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000362222380 554956929 /nfs/dbraw/zinc/95/69/29/554956929.db2.gz YBAJEMLMWJOELI-QBIMZIAESA-N 0 3 360.414 2.244 20 5 FEBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362641414 554977776 /nfs/dbraw/zinc/97/77/76/554977776.db2.gz QNPGXHBVNWEGSA-UHFFFAOYSA-N 0 3 364.365 2.074 20 5 FEBDHN CCOC(=O)c1cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000363073836 555024461 /nfs/dbraw/zinc/02/44/61/555024461.db2.gz CSUDAMSOPWCZPI-HNNXBMFYSA-N 0 3 361.398 2.082 20 5 FEBDHN COc1cc(C(=O)N2CCCN(CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000363537429 555131208 /nfs/dbraw/zinc/13/12/08/555131208.db2.gz YKOZKODKECCJGC-UHFFFAOYSA-N 0 3 365.430 2.416 20 5 FEBDHN CN1CCN(CC2(C)CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000363813710 555191294 /nfs/dbraw/zinc/19/12/94/555191294.db2.gz GJEZJTDUCAITDU-UHFFFAOYSA-N 0 3 374.485 2.013 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000364038880 555237961 /nfs/dbraw/zinc/23/79/61/555237961.db2.gz OHMZMQXTQXIHJR-MNOVXSKESA-N 0 3 369.805 2.310 20 5 FEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000364038883 555238120 /nfs/dbraw/zinc/23/81/20/555238120.db2.gz OHMZMQXTQXIHJR-WDEREUQCSA-N 0 3 369.805 2.310 20 5 FEBDHN CN1CCC(N2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207923 555270227 /nfs/dbraw/zinc/27/02/27/555270227.db2.gz PXEDFEOUUGJMOH-ZDUSSCGKSA-N 0 3 366.849 2.147 20 5 FEBDHN C[C@@H](NC1CCN(CC(=O)N2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000364341427 555294772 /nfs/dbraw/zinc/29/47/72/555294772.db2.gz SEHFCDMJBRSMMI-OAHLLOKOSA-N 0 3 360.458 2.332 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](OCC2CC2)C1 ZINC000364432145 555312982 /nfs/dbraw/zinc/31/29/82/555312982.db2.gz ASMFURAKINJFBR-HOTGVXAUSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1nnc(C2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]1 ZINC000365109053 555487379 /nfs/dbraw/zinc/48/73/79/555487379.db2.gz HZNRTRARRZAWAJ-UHFFFAOYSA-N 0 3 369.385 2.451 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000513419575 561937612 /nfs/dbraw/zinc/93/76/12/561937612.db2.gz IPCKIWKSKLZIIU-HIFRSBDPSA-N 0 3 357.414 2.443 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1ccn(C2CCN(C)CC2)n1 ZINC000366751984 555925348 /nfs/dbraw/zinc/92/53/48/555925348.db2.gz QOMZQUCGTHNZJS-UHFFFAOYSA-N 0 3 359.430 3.069 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367437471 556048804 /nfs/dbraw/zinc/04/88/04/556048804.db2.gz WNMUGOGPAWJRGI-KBXCAEBGSA-N 0 3 360.458 2.260 20 5 FEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000369064429 556494124 /nfs/dbraw/zinc/49/41/24/556494124.db2.gz MMNJBKDAYLANPU-GFCCVEGCSA-N 0 3 361.398 2.113 20 5 FEBDHN Cn1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2ccncc2)n1 ZINC000369696938 556671342 /nfs/dbraw/zinc/67/13/42/556671342.db2.gz RWYLIYKSVAYDNC-UHFFFAOYSA-N 0 3 367.413 2.424 20 5 FEBDHN Cc1ccccc1NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369833293 556707443 /nfs/dbraw/zinc/70/74/43/556707443.db2.gz JUAUDYCEGDJZHQ-QGZVFWFLSA-N 0 3 359.430 2.037 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928979 556733033 /nfs/dbraw/zinc/73/30/33/556733033.db2.gz GBAQPGZPIWEXGJ-GDBMZVCRSA-N 0 3 369.425 2.444 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370083596 556776443 /nfs/dbraw/zinc/77/64/43/556776443.db2.gz RLDPLKQSQSHMBF-JKSUJKDBSA-N 0 3 360.458 2.001 20 5 FEBDHN COC(=O)[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000370446645 556876144 /nfs/dbraw/zinc/87/61/44/556876144.db2.gz GCFRXZYUNBIFCY-GFCCVEGCSA-N 0 3 367.377 2.194 20 5 FEBDHN C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371355134 557157871 /nfs/dbraw/zinc/15/78/71/557157871.db2.gz OTMGMPSJYGSOHY-OAWFPAICSA-N 0 3 372.469 2.092 20 5 FEBDHN CCN1CCC(N(C)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000517938119 562101086 /nfs/dbraw/zinc/10/10/86/562101086.db2.gz SCPPJGKRSGBVAE-UHFFFAOYSA-N 0 3 372.429 2.040 20 5 FEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000371872489 557316016 /nfs/dbraw/zinc/31/60/16/557316016.db2.gz LJBZDGBVKULINL-MRXNPFEDSA-N 0 3 360.414 2.010 20 5 FEBDHN CCCN1CCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518648309 562115960 /nfs/dbraw/zinc/11/59/60/562115960.db2.gz ZNSRPJUAEWRBBE-CQSZACIVSA-N 0 3 365.430 2.145 20 5 FEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000372105566 557381289 /nfs/dbraw/zinc/38/12/89/557381289.db2.gz NNQRVACRCIQIJH-CQSZACIVSA-N 0 3 367.413 2.039 20 5 FEBDHN O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372617461 557522299 /nfs/dbraw/zinc/52/22/99/557522299.db2.gz NDLTWDCMLRXBDQ-CYBMUJFWSA-N 0 3 352.822 2.357 20 5 FEBDHN CN1CCN(CCCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000519577730 562135448 /nfs/dbraw/zinc/13/54/48/562135448.db2.gz WGFOMRJMIYOZDY-UHFFFAOYSA-N 0 3 362.474 2.016 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC/C=C\c2ccccc2)cc1 ZINC000520213259 562150780 /nfs/dbraw/zinc/15/07/80/562150780.db2.gz QQGCTHZSWXTRQD-DAXSKMNVSA-N 0 3 361.423 2.176 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373762822 557753735 /nfs/dbraw/zinc/75/37/35/557753735.db2.gz YKQDRCHGHLRNQO-QAPCUYQASA-N 0 3 362.474 2.061 20 5 FEBDHN CN1CCC2(CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000374318313 557864829 /nfs/dbraw/zinc/86/48/29/557864829.db2.gz PXKGHVRFTRUVFT-UHFFFAOYSA-N 0 3 369.425 2.481 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000374505715 557892477 /nfs/dbraw/zinc/89/24/77/557892477.db2.gz OGJJSIXQPRWABF-DAXOMENPSA-N 0 3 360.414 2.055 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000374597696 557904415 /nfs/dbraw/zinc/90/44/15/557904415.db2.gz WBUWZPMNSGQOEY-HNNXBMFYSA-N 0 3 362.474 2.204 20 5 FEBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000376212200 558142072 /nfs/dbraw/zinc/14/20/72/558142072.db2.gz SGJPCLDEMMKBJQ-MAUKXSAKSA-N 0 3 362.474 2.203 20 5 FEBDHN COCCCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000376319624 558157160 /nfs/dbraw/zinc/15/71/60/558157160.db2.gz QLDGXCSCNLBAIW-UHFFFAOYSA-N 0 3 350.419 2.479 20 5 FEBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000377225858 558293521 /nfs/dbraw/zinc/29/35/21/558293521.db2.gz YFIXENOAAZVJPS-YOEHRIQHSA-N 0 3 355.398 2.150 20 5 FEBDHN CCN1C(=O)N=NC1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000377561330 558364975 /nfs/dbraw/zinc/36/49/75/558364975.db2.gz GZMPKCYWIDKQBQ-UHFFFAOYSA-N 0 3 361.402 2.170 20 5 FEBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000378100133 558480878 /nfs/dbraw/zinc/48/08/78/558480878.db2.gz KYMLDSWTOLKIMU-LKGOPFMKSA-N 0 3 372.469 2.235 20 5 FEBDHN C[C@H](NC(=O)N1CCC(OCCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000524516149 562229812 /nfs/dbraw/zinc/22/98/12/562229812.db2.gz RXGQCCQYQRCCIY-AWEZNQCLSA-N 0 3 364.446 2.408 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428582 558893609 /nfs/dbraw/zinc/89/36/09/558893609.db2.gz QAGJFUNJJAGMLD-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN COC[C@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411812572 558968200 /nfs/dbraw/zinc/96/82/00/558968200.db2.gz YRVFMRMZYKCJCT-CYBMUJFWSA-N 0 3 351.403 2.433 20 5 FEBDHN CO[C@H]1c2ccccc2C[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411885789 558983180 /nfs/dbraw/zinc/98/31/80/558983180.db2.gz JQXCZRUMMAHCIJ-IPELMVKDSA-N 0 3 358.394 2.237 20 5 FEBDHN CO[C@H]1c2ccccc2C[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411889549 558983766 /nfs/dbraw/zinc/98/37/66/558983766.db2.gz CNGWIZHBMZREDQ-OGWOLHLISA-N 0 3 358.394 2.237 20 5 FEBDHN COc1ccc(NC(=O)CN[C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975081 558998223 /nfs/dbraw/zinc/99/82/23/558998223.db2.gz UWSPGPNKGYHGLU-DIFFPNOSSA-N 0 3 351.403 2.335 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003520 559001360 /nfs/dbraw/zinc/00/13/60/559001360.db2.gz XGAXMCKDUZMGPV-ZWKOTPCHSA-N 0 3 372.425 2.006 20 5 FEBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415098153 559205124 /nfs/dbraw/zinc/20/51/24/559205124.db2.gz UZPMKALIEWLENW-KRWDZBQOSA-N 0 3 356.426 2.441 20 5 FEBDHN CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)CN1CCCC1 ZINC000416091788 559291724 /nfs/dbraw/zinc/29/17/24/559291724.db2.gz GPDYYYMHZKAOAL-UHFFFAOYSA-N 0 3 372.429 2.122 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416369142 559308054 /nfs/dbraw/zinc/30/80/54/559308054.db2.gz IARMXPQHECNLNM-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000416505697 559318423 /nfs/dbraw/zinc/31/84/23/559318423.db2.gz FCOMVYJFAVXXRL-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000416505697 559318424 /nfs/dbraw/zinc/31/84/24/559318424.db2.gz FCOMVYJFAVXXRL-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c(C)cc1[N+](=O)[O-] ZINC000416554253 559321414 /nfs/dbraw/zinc/32/14/14/559321414.db2.gz JMDIDVQCIWOIFQ-CQSZACIVSA-N 0 3 355.460 2.222 20 5 FEBDHN Cc1ncccc1OC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000419389505 559440551 /nfs/dbraw/zinc/44/05/51/559440551.db2.gz LDZPWUWNHFOQQT-INIZCTEOSA-N 0 3 358.398 2.003 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420396173 559485150 /nfs/dbraw/zinc/48/51/50/559485150.db2.gz CREJVGUTQUYBOV-DOTOQJQBSA-N 0 3 372.400 2.408 20 5 FEBDHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000420467899 559489193 /nfs/dbraw/zinc/48/91/93/559489193.db2.gz TUTSSPUWSMQCPW-HNNXBMFYSA-N 0 3 363.439 2.444 20 5 FEBDHN CN(C)CCOc1ccc(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])cc1 ZINC000420578225 559492615 /nfs/dbraw/zinc/49/26/15/559492615.db2.gz AGCUPSLVUMSVPO-UHFFFAOYSA-N 0 3 372.425 2.289 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)c1C ZINC000420746878 559501973 /nfs/dbraw/zinc/50/19/73/559501973.db2.gz NPUZBVYSJQBLGV-UHFFFAOYSA-N 0 3 355.460 2.363 20 5 FEBDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019011 559520075 /nfs/dbraw/zinc/52/00/75/559520075.db2.gz NAJIDJHPUPUWIS-KGLIPLIRSA-N 0 3 365.430 2.056 20 5 FEBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421714797 559550639 /nfs/dbraw/zinc/55/06/39/559550639.db2.gz WKIXWFMYJWZRKZ-AWEZNQCLSA-N 0 3 367.471 2.500 20 5 FEBDHN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCNCC1 ZINC000422706864 559603601 /nfs/dbraw/zinc/60/36/01/559603601.db2.gz GHGXYTDNQSUILW-UHFFFAOYSA-N 0 3 357.360 2.395 20 5 FEBDHN CCc1ccc([C@@H](NC[C@H]2CNCCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519623 559631001 /nfs/dbraw/zinc/63/10/01/559631001.db2.gz PMDXNBKWEJIREV-APWZRJJASA-N 0 3 358.442 2.333 20 5 FEBDHN CN1C[C@@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000425047406 559685076 /nfs/dbraw/zinc/68/50/76/559685076.db2.gz MMXOPAHSPFCQTC-QFBILLFUSA-N 0 3 372.469 2.364 20 5 FEBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425548547 559709162 /nfs/dbraw/zinc/70/91/62/559709162.db2.gz NBAPICSUOKJQKO-JQWIXIFHSA-N 0 3 355.358 2.313 20 5 FEBDHN COc1cc(NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431495048 559840302 /nfs/dbraw/zinc/84/03/02/559840302.db2.gz OJFYUJRSBQWBCK-UHFFFAOYSA-N 0 3 350.419 2.008 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000433097785 559871705 /nfs/dbraw/zinc/87/17/05/559871705.db2.gz PGANRURSGBCZNL-LBPRGKRZSA-N 0 3 371.397 2.455 20 5 FEBDHN CCn1cccc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000433101052 559871812 /nfs/dbraw/zinc/87/18/12/559871812.db2.gz GBVMTUMVKSLWJX-CYBMUJFWSA-N 0 3 358.398 2.283 20 5 FEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433323236 559877087 /nfs/dbraw/zinc/87/70/87/559877087.db2.gz VPLNLHVAYXRDJN-CZUORRHYSA-N 0 3 350.806 2.295 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000445065701 560127787 /nfs/dbraw/zinc/12/77/87/560127787.db2.gz MCZDRUDYEQKGMJ-UHFFFAOYSA-N 0 3 367.471 2.310 20 5 FEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595809 560165036 /nfs/dbraw/zinc/16/50/36/560165036.db2.gz AOOKRYDVMNOOKA-OKZBNKHCSA-N 0 3 350.415 2.382 20 5 FEBDHN C[C@@]12CN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555952 560189878 /nfs/dbraw/zinc/18/98/78/560189878.db2.gz NSHANPLCDLUPSN-LHNCJSNSSA-N 0 3 367.405 2.371 20 5 FEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448907648 560206124 /nfs/dbraw/zinc/20/61/24/560206124.db2.gz DNDVBXTWECUSBJ-UHFFFAOYSA-N 0 3 359.430 2.440 20 5 FEBDHN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000449069943 560214758 /nfs/dbraw/zinc/21/47/58/560214758.db2.gz BDNFXWGNGDXOPJ-DOMZBBRYSA-N 0 3 363.414 2.234 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000449097008 560215605 /nfs/dbraw/zinc/21/56/05/560215605.db2.gz BONWTSXMWHBRFB-UHFFFAOYSA-N 0 3 355.441 2.033 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCCN2CCCO)c1 ZINC000449386024 560228449 /nfs/dbraw/zinc/22/84/49/560228449.db2.gz HENZNTADSSGFEC-CQSZACIVSA-N 0 3 359.373 2.133 20 5 FEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCCCN2CCO)c1 ZINC000449398314 560229039 /nfs/dbraw/zinc/22/90/39/560229039.db2.gz XRGISQAEXRGFBR-CQSZACIVSA-N 0 3 359.373 2.133 20 5 FEBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232327 /nfs/dbraw/zinc/23/23/27/560232327.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 0 3 374.485 2.361 20 5 FEBDHN CCN1CCN([C@H](C)CNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450257913 560256016 /nfs/dbraw/zinc/25/60/16/560256016.db2.gz NZSYHEYBHDOXHG-CQSZACIVSA-N 0 3 373.457 2.011 20 5 FEBDHN CC[C@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000450310179 560257970 /nfs/dbraw/zinc/25/79/70/560257970.db2.gz CPUTZIRHNOLZLG-KBPBESRZSA-N 0 3 374.441 2.433 20 5 FEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)nc1-c1ccccc1 ZINC000450588015 560267174 /nfs/dbraw/zinc/26/71/74/560267174.db2.gz ASOXXHBDFAGFBT-INIZCTEOSA-N 0 3 356.426 2.916 20 5 FEBDHN Cc1cc(N[C@@H]2CCCN(CCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450612721 560268006 /nfs/dbraw/zinc/26/80/06/560268006.db2.gz KQSGFSILWFRGGC-MRXNPFEDSA-N 0 3 371.441 2.041 20 5 FEBDHN O=C1CC[C@H](N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450892548 560277043 /nfs/dbraw/zinc/27/70/43/560277043.db2.gz OSOYXUUUIVPJSY-ZDUSSCGKSA-N 0 3 352.822 2.039 20 5 FEBDHN CC(C)N1CC[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000450948148 560279562 /nfs/dbraw/zinc/27/95/62/560279562.db2.gz DRGWWICFPISOFH-OAHLLOKOSA-N 0 3 371.441 2.478 20 5 FEBDHN CCO[C@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484802 560309669 /nfs/dbraw/zinc/30/96/69/560309669.db2.gz XSUAELLIGKTBTB-SJORKVTESA-N 0 3 359.426 2.421 20 5 FEBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@H]21 ZINC000451482693 560309758 /nfs/dbraw/zinc/30/97/58/560309758.db2.gz WRESJEOOCHBSHH-BMGDILEWSA-N 0 3 359.426 2.277 20 5 FEBDHN CCS(=O)(=O)NCCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553149 560314454 /nfs/dbraw/zinc/31/44/54/560314454.db2.gz XPSXXJWIVXQKCB-OAHLLOKOSA-N 0 3 355.460 2.104 20 5 FEBDHN CC(C)[C@H](CO)[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000451592994 560316353 /nfs/dbraw/zinc/31/63/53/560316353.db2.gz HAUJWCCZWVPTII-LPHOPBHVSA-N 0 3 363.458 2.363 20 5 FEBDHN NC(=O)c1ccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000451622830 560317670 /nfs/dbraw/zinc/31/76/70/560317670.db2.gz AXGPSADYXPPMEP-CVEARBPZSA-N 0 3 359.426 2.475 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689355 560322165 /nfs/dbraw/zinc/32/21/65/560322165.db2.gz MBISGERQRPIADB-GDBMZVCRSA-N 0 3 369.425 2.479 20 5 FEBDHN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452126231 560352949 /nfs/dbraw/zinc/35/29/49/560352949.db2.gz YQAZWLFPRIQTHT-CQSZACIVSA-N 0 3 364.446 2.347 20 5 FEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453454337 560387047 /nfs/dbraw/zinc/38/70/47/560387047.db2.gz TXCZQHFOQNEKSW-IVMMDQJWSA-N 0 3 360.414 2.055 20 5 FEBDHN CNc1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456035083 560505096 /nfs/dbraw/zinc/50/50/96/560505096.db2.gz ANUWACJATBEMBO-XJKSGUPXSA-N 0 3 369.425 2.282 20 5 FEBDHN CNc1nc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000456040782 560505218 /nfs/dbraw/zinc/50/52/18/560505218.db2.gz FDHNOEJIWXLGDV-WBMJQRKESA-N 0 3 357.414 2.453 20 5 FEBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000456687662 560528943 /nfs/dbraw/zinc/52/89/43/560528943.db2.gz GBFWEJWNCRVOCB-UHFFFAOYSA-N 0 3 351.451 2.150 20 5 FEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457097219 560548422 /nfs/dbraw/zinc/54/84/22/560548422.db2.gz RTLONUWIGHHWCJ-AWEZNQCLSA-N 0 3 357.414 2.335 20 5 FEBDHN CC(C)(C)C1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000459409376 560684901 /nfs/dbraw/zinc/68/49/01/560684901.db2.gz HKZSVEHTLGPNHZ-UHFFFAOYSA-N 0 3 355.460 2.287 20 5 FEBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459766230 560706973 /nfs/dbraw/zinc/70/69/73/560706973.db2.gz DGSKYPPSWPLHJB-OLZOCXBDSA-N 0 3 372.219 2.453 20 5 FEBDHN Cc1cc(Sc2nnnn2C[C@@H]2CCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946637 560789048 /nfs/dbraw/zinc/78/90/48/560789048.db2.gz NETHOPOUFKAYKT-SNVBAGLBSA-N 0 3 352.395 2.132 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000468477729 560931059 /nfs/dbraw/zinc/93/10/59/560931059.db2.gz FAEXKORFPXRQTA-INIZCTEOSA-N 0 3 372.429 2.026 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616743 560985932 /nfs/dbraw/zinc/98/59/32/560985932.db2.gz DYXGSTZQQZLVDD-FRRDWIJNSA-N 0 3 373.450 2.379 20 5 FEBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1nnnn1CC1CC1 ZINC000471602496 561008308 /nfs/dbraw/zinc/00/83/08/561008308.db2.gz OOVNQKPSXZTVGQ-GOEBONIOSA-N 0 3 356.430 2.492 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000476353993 561117306 /nfs/dbraw/zinc/11/73/06/561117306.db2.gz MTYYNNWEEQCRNU-UHFFFAOYSA-N 0 3 371.441 2.109 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000476351537 561117387 /nfs/dbraw/zinc/11/73/87/561117387.db2.gz DEUFXCJBDQXXMW-GFCCVEGCSA-N 0 3 363.443 2.032 20 5 FEBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CN1CCCCCC1 ZINC000476631796 561124814 /nfs/dbraw/zinc/12/48/14/561124814.db2.gz PGNBRVHVABSDJT-ZDUSSCGKSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000530396685 562409715 /nfs/dbraw/zinc/40/97/15/562409715.db2.gz GOXJBSOIXOBKHI-UHFFFAOYSA-N 0 3 351.451 2.169 20 5 FEBDHN Cc1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000531612354 562451507 /nfs/dbraw/zinc/45/15/07/562451507.db2.gz OOAIMEMULZGTAH-UHFFFAOYSA-N 0 3 369.468 2.341 20 5 FEBDHN CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534827183 562543374 /nfs/dbraw/zinc/54/33/74/562543374.db2.gz DERVLOIBOHXYSW-UONOGXRCSA-N 0 3 355.485 2.191 20 5 FEBDHN COC(=O)c1cc(N2C[C@@H](N(C)C)[C@@H](SC)C2)cc(C)c1[N+](=O)[O-] ZINC000536995810 562583846 /nfs/dbraw/zinc/58/38/46/562583846.db2.gz KVIUYMTZYPRQAD-KGLIPLIRSA-N 0 3 353.444 2.172 20 5 FEBDHN COc1ccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542069872 562626374 /nfs/dbraw/zinc/62/63/74/562626374.db2.gz KNHDORBSPTWGMW-IBGZPJMESA-N 0 3 371.393 2.179 20 5 FEBDHN C[C@@H](Cc1cccc(O)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568620371 568099774 /nfs/dbraw/zinc/09/97/74/568099774.db2.gz MDHFWSNWKMFEIG-ZDUSSCGKSA-N 0 3 364.423 2.295 20 5 FEBDHN C[C@H](C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569289451 568337663 /nfs/dbraw/zinc/33/76/63/568337663.db2.gz IGYLZSATOHCWKD-INIZCTEOSA-N 0 3 374.485 2.184 20 5 FEBDHN COC(=O)c1cc(C)nc(NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000557673892 674460316 /nfs/dbraw/zinc/46/03/16/674460316.db2.gz MFEVFAZLWFFNMJ-CYBMUJFWSA-N 0 3 350.419 2.617 20 5 FEBDHN CN1CCN(CCC(C)(C)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000557649224 674459336 /nfs/dbraw/zinc/45/93/36/674459336.db2.gz CIVACETVUPITOP-UHFFFAOYSA-N 0 3 364.475 2.428 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000559129727 674528859 /nfs/dbraw/zinc/52/88/59/674528859.db2.gz CONMLPFGGSXLBX-INIZCTEOSA-N 0 3 353.444 2.010 20 5 FEBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240098 606730733 /nfs/dbraw/zinc/73/07/33/606730733.db2.gz DXRVEBSVUJVGMY-BMIGLBTASA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240098 606730735 /nfs/dbraw/zinc/73/07/35/606730735.db2.gz DXRVEBSVUJVGMY-BMIGLBTASA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240098 606730737 /nfs/dbraw/zinc/73/07/37/606730737.db2.gz DXRVEBSVUJVGMY-BMIGLBTASA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240098 606730738 /nfs/dbraw/zinc/73/07/38/606730738.db2.gz DXRVEBSVUJVGMY-BMIGLBTASA-N 0 3 368.401 2.075 20 5 FEBDHN CC(COC(=O)c1cccc(F)c1I)[N+](=O)[O-] ZINC000813101707 674719008 /nfs/dbraw/zinc/71/90/08/674719008.db2.gz HJLMIIRVQVYVGB-LURJTMIESA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[N+](=O)[O-] ZINC000813115175 674721544 /nfs/dbraw/zinc/72/15/44/674721544.db2.gz LZOSILMJKVLZHJ-ZDUSSCGKSA-N 0 3 370.427 2.073 20 5 FEBDHN Cc1sc(=O)n(CC(=O)OCC(C)[N+](=O)[O-])c1-c1ccc(F)cc1 ZINC000813114149 674721575 /nfs/dbraw/zinc/72/15/75/674721575.db2.gz ZHPQWWRNAXVKER-SECBINFHSA-N 0 3 354.359 2.233 20 5 FEBDHN CC(COC(=O)c1ccc(I)c(F)c1)[N+](=O)[O-] ZINC000813104731 674720043 /nfs/dbraw/zinc/72/00/43/674720043.db2.gz GJJGOEQSJGMMAJ-ZCFIWIBFSA-N 0 3 353.087 2.252 20 5 FEBDHN CC(COC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[N+](=O)[O-] ZINC000813106794 674720321 /nfs/dbraw/zinc/72/03/21/674720321.db2.gz HYLDGGMBNNPDSD-SECBINFHSA-N 0 3 360.819 2.462 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000564914127 675076088 /nfs/dbraw/zinc/07/60/88/675076088.db2.gz VHBWNIMLPUMSGF-UHFFFAOYSA-N 0 3 362.411 2.197 20 5 FEBDHN CCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816869509 675083720 /nfs/dbraw/zinc/08/37/20/675083720.db2.gz UDEJMCCIVHAWIJ-UHFFFAOYSA-N 0 3 354.838 2.006 20 5 FEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067271334 670456363 /nfs/dbraw/zinc/45/63/63/670456363.db2.gz XTKFXRAYPVMICK-GFCCVEGCSA-N 0 3 350.375 2.353 20 5 FEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020283 675168275 /nfs/dbraw/zinc/16/82/75/675168275.db2.gz KWEUHUSUXAIZOQ-SOUVJXGZSA-N 0 3 353.444 2.032 20 5 FEBDHN COCCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000574373714 671232112 /nfs/dbraw/zinc/23/21/12/671232112.db2.gz DCOZBNCWZCYYHD-UHFFFAOYSA-N 0 3 353.394 2.307 20 5 FEBDHN CN1CCN(CCCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000574748503 671274230 /nfs/dbraw/zinc/27/42/30/671274230.db2.gz NKPBTCNLWJVDAA-UHFFFAOYSA-N 0 3 361.368 2.448 20 5 FEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000578370919 671660506 /nfs/dbraw/zinc/66/05/06/671660506.db2.gz BLTDKIPFPREDLA-CQSZACIVSA-N 0 3 357.476 2.177 20 5 FEBDHN Cc1cc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000590591722 672594419 /nfs/dbraw/zinc/59/44/19/672594419.db2.gz SKTWSALOTFHRLZ-UHFFFAOYSA-N 0 3 371.434 2.195 20 5 FEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cc(F)cc(F)c2)cc1 ZINC000591728860 672705617 /nfs/dbraw/zinc/70/56/17/672705617.db2.gz AONRHYPXCFVFQU-UHFFFAOYSA-N 0 3 370.377 2.479 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193909869 672740787 /nfs/dbraw/zinc/74/07/87/672740787.db2.gz CEZOZPFMWPZPSJ-UHFFFAOYSA-N 0 3 353.444 2.056 20 5 FEBDHN CCOC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130363 672762290 /nfs/dbraw/zinc/76/22/90/672762290.db2.gz FMAXKEWTQJVNHV-ULQDDVLXSA-N 0 3 352.431 2.098 20 5 FEBDHN CC(C)(CC[NH+]1CCCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585831 672951108 /nfs/dbraw/zinc/95/11/08/672951108.db2.gz UMFCEGBJRNCAKW-UHFFFAOYSA-N 0 3 370.475 2.313 20 5 FEBDHN CC(C)n1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000596130742 673361896 /nfs/dbraw/zinc/36/18/96/673361896.db2.gz FHPIWFCJFFHHCV-UHFFFAOYSA-N 0 3 364.431 2.486 20 5 FEBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000733158962 673401148 /nfs/dbraw/zinc/40/11/48/673401148.db2.gz VGANGHVGCPJOIU-AWEZNQCLSA-N 0 3 351.378 2.107 20 5 FEBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000598536231 673579957 /nfs/dbraw/zinc/57/99/57/673579957.db2.gz PFWBANJMHYKFAV-CYBMUJFWSA-N 0 3 353.444 2.372 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c(C)c1[N+](=O)[O-] ZINC000598610196 673590167 /nfs/dbraw/zinc/59/01/67/673590167.db2.gz FZHPDDZXMAMXIM-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000543620074 673656855 /nfs/dbraw/zinc/65/68/55/673656855.db2.gz SPZWIRCPNGURNS-UHFFFAOYSA-N 0 3 355.460 2.264 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCN2CCCCC2)c1 ZINC000543679309 673661311 /nfs/dbraw/zinc/66/13/11/673661311.db2.gz UDRZVEFNMYWOHD-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN CC(C)[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572778 673718559 /nfs/dbraw/zinc/71/85/59/673718559.db2.gz OJUGYTQXVQJGGL-BBRMVZONSA-N 0 3 356.444 2.162 20 5 FEBDHN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779234 673817905 /nfs/dbraw/zinc/81/79/05/673817905.db2.gz ZPGIUANJCLKGRM-KBPBESRZSA-N 0 3 355.460 2.277 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602853388 673912168 /nfs/dbraw/zinc/91/21/68/673912168.db2.gz YKXJRZDHJCFVEM-GXTWGEPZSA-N 0 3 352.435 2.399 20 5 FEBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548713243 673989284 /nfs/dbraw/zinc/98/92/84/673989284.db2.gz HQPVBSYTBGBKGO-UHFFFAOYSA-N 0 3 361.427 2.162 20 5 FEBDHN O=C1CC[C@H](N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000825147378 675638806 /nfs/dbraw/zinc/63/88/06/675638806.db2.gz FBYUASAZQKHPTL-HNNXBMFYSA-N 0 3 366.849 2.035 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825708337 675664922 /nfs/dbraw/zinc/66/49/22/675664922.db2.gz FUBLMTJDHBKOTJ-GFCCVEGCSA-N 0 3 355.822 2.397 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000838625940 680706943 /nfs/dbraw/zinc/70/69/43/680706943.db2.gz JMZGXWQQBDRVLE-ZDUSSCGKSA-N 0 3 350.419 2.066 20 5 FEBDHN O=C(CNC1(CO)CCSCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839179889 680743381 /nfs/dbraw/zinc/74/33/81/680743381.db2.gz OTQLNTTYTCQQSF-UHFFFAOYSA-N 0 3 359.835 2.034 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272589 679947679 /nfs/dbraw/zinc/94/76/79/679947679.db2.gz OSQATNHQHOAFLR-CQSZACIVSA-N 0 3 350.375 2.194 20 5 FEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000832690411 680166034 /nfs/dbraw/zinc/16/60/34/680166034.db2.gz GESOGFFYGIWWGA-CABZTGNLSA-N 0 3 354.204 2.133 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1Cl ZINC000836698061 680501626 /nfs/dbraw/zinc/50/16/26/680501626.db2.gz MHSMJCJQJXUUHQ-LBPRGKRZSA-N 0 3 368.865 2.170 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942233 680506347 /nfs/dbraw/zinc/50/63/47/680506347.db2.gz BNMBGBJUHCZHTK-AWEZNQCLSA-N 0 3 370.837 2.158 20 5 FEBDHN COC1CCN(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757261753 680520458 /nfs/dbraw/zinc/52/04/58/680520458.db2.gz JTLSOQHRRZJMKM-UHFFFAOYSA-N 0 3 370.837 2.158 20 5 FEBDHN COc1cc(OCC(=O)OC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736638 681149770 /nfs/dbraw/zinc/14/97/70/681149770.db2.gz WRZCRCZGFZPOTB-LBPRGKRZSA-N 0 3 352.387 2.398 20 5 FEBDHN CCC(=O)N1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845873908 681158299 /nfs/dbraw/zinc/15/82/99/681158299.db2.gz FGWNUKZNMSRGEA-WQGACYEGSA-N 0 3 352.362 2.334 20 5 FEBDHN CO[C@H](C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000845884363 681159390 /nfs/dbraw/zinc/15/93/90/681159390.db2.gz YCOUSNXKHHWWDV-VQISRLSMSA-N 0 3 351.334 2.196 20 5 FEBDHN CS[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000778402991 681608470 /nfs/dbraw/zinc/60/84/70/681608470.db2.gz MCLJCINCSQIGTF-QWHCGFSZSA-N 0 3 359.398 2.191 20 5 FEBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1Cl ZINC000913979845 685491042 /nfs/dbraw/zinc/49/10/42/685491042.db2.gz YMRJTTGMAYKVQW-AWEZNQCLSA-N 0 3 360.819 2.443 20 5 FEBDHN CC(COC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[N+](=O)[O-] ZINC000851036916 682003998 /nfs/dbraw/zinc/00/39/98/682003998.db2.gz NPIBJHMGMXRTHD-AXTRIDKLSA-N 0 3 359.176 2.130 20 5 FEBDHN O=[N+]([O-])c1nn(CN2CCN(C3CCCC3)CC2)cc1Br ZINC000917614881 685533304 /nfs/dbraw/zinc/53/33/04/685533304.db2.gz BSUDGWITJORRCW-UHFFFAOYSA-N 0 3 358.240 2.072 20 5 FEBDHN CCN1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000853151547 682383670 /nfs/dbraw/zinc/38/36/70/682383670.db2.gz QTTZLNRTWWVJHO-UHFFFAOYSA-N 0 3 357.252 2.407 20 5 FEBDHN CCCCCCN(C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787593040 682466876 /nfs/dbraw/zinc/46/68/76/682466876.db2.gz LFLDUITXYPPBOP-UHFFFAOYSA-N 0 3 351.451 2.467 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000788962177 682570357 /nfs/dbraw/zinc/57/03/57/682570357.db2.gz HOBDDICPFJGYAW-CQSZACIVSA-N 0 3 366.395 2.031 20 5 FEBDHN Cc1c(C(=O)N2CCN[C@H](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000856486034 682788359 /nfs/dbraw/zinc/78/83/59/682788359.db2.gz UIQCKIFNXAKUMS-ZDUSSCGKSA-N 0 3 350.375 2.190 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798160719 683315885 /nfs/dbraw/zinc/31/58/85/683315885.db2.gz NMGDLVTZFIKLGB-JTQLQIEISA-N 0 3 371.235 2.214 20 5 FEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308592 684243398 /nfs/dbraw/zinc/24/33/98/684243398.db2.gz KTYMABSTNUIMLH-KCJUWKMLSA-N 0 3 365.814 2.100 20 5 FEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000932033493 684396159 /nfs/dbraw/zinc/39/61/59/684396159.db2.gz BIKWKTLOZOMAIS-AWEZNQCLSA-N 0 3 367.471 2.500 20 5 FEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869779260 684654937 /nfs/dbraw/zinc/65/49/37/684654937.db2.gz WHYCQLNWHHSGOK-LBPRGKRZSA-N 0 3 355.822 2.132 20 5 FEBDHN CN1C[C@@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000878640325 686625983 /nfs/dbraw/zinc/62/59/83/686625983.db2.gz HNAWTDCZYBDONJ-IINYFYTJSA-N 0 3 363.805 2.434 20 5 FEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000885892884 688179782 /nfs/dbraw/zinc/17/97/82/688179782.db2.gz FSYWFIIDFKTVRA-LBPRGKRZSA-N 0 3 371.796 2.370 20 5 FEBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896521572 689884531 /nfs/dbraw/zinc/88/45/31/689884531.db2.gz JQEBOYAUJOGGAW-LBPRGKRZSA-N 0 3 371.235 2.418 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900581570 690534627 /nfs/dbraw/zinc/53/46/27/690534627.db2.gz ZWDJAWRRGXVCBS-NSHDSACASA-N 0 3 359.785 2.228 20 5 FEBDHN CCC[C@@H](NC[C@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369062 690887824 /nfs/dbraw/zinc/88/78/24/690887824.db2.gz SFGIBFVBSJXFBI-HZPDHXFCSA-N 0 3 356.444 2.229 20 5 FEBDHN COc1cccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])N(C)C)c1 ZINC000015129024 539612860 /nfs/dbraw/zinc/61/28/60/539612860.db2.gz NXESHYIHGZDPIL-QGZVFWFLSA-N 0 3 358.398 2.417 20 5 FEBDHN CN(C)CCNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000015206867 539613607 /nfs/dbraw/zinc/61/36/07/539613607.db2.gz QBEVPDOKBLHVLN-UHFFFAOYSA-N 0 3 370.475 2.133 20 5 FEBDHN COC(=O)c1ccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026321676 539783086 /nfs/dbraw/zinc/78/30/86/539783086.db2.gz KYHUFTBUIIMYFJ-QGZVFWFLSA-N 0 3 374.393 2.253 20 5 FEBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(OC)c1 ZINC000076267514 542251841 /nfs/dbraw/zinc/25/18/41/542251841.db2.gz MPILJTWLBXKRDJ-CQSZACIVSA-N 0 3 360.418 2.471 20 5 FEBDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000041322023 540017345 /nfs/dbraw/zinc/01/73/45/540017345.db2.gz QWDQYABOBWLZOT-GFCCVEGCSA-N 0 3 370.837 2.279 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000042986231 540084752 /nfs/dbraw/zinc/08/47/52/540084752.db2.gz APDPMEWCWNRYEX-UHFFFAOYSA-N 0 3 359.448 2.001 20 5 FEBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000043893433 540114795 /nfs/dbraw/zinc/11/47/95/540114795.db2.gz PNIVWPGEZWNRKA-GJZGRUSLSA-N 0 3 363.462 2.426 20 5 FEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000047147709 540292743 /nfs/dbraw/zinc/29/27/43/540292743.db2.gz CZWDWTZSRFOLML-CQSZACIVSA-N 0 3 357.414 2.242 20 5 FEBDHN O=C(NCCN1CCc2sccc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000054220476 540575547 /nfs/dbraw/zinc/57/55/47/540575547.db2.gz SSBKMBBZRBAJKD-UHFFFAOYSA-N 0 3 371.422 2.321 20 5 FEBDHN CN(CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054762517 540607640 /nfs/dbraw/zinc/60/76/40/540607640.db2.gz YSQJSGWUIPNQKT-UHFFFAOYSA-N 0 3 371.441 2.438 20 5 FEBDHN Cc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000055281594 540643385 /nfs/dbraw/zinc/64/33/85/540643385.db2.gz GVVIPSPBNUTFFO-CYBMUJFWSA-N 0 3 355.460 2.304 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000055298205 540645247 /nfs/dbraw/zinc/64/52/47/540645247.db2.gz ADZZHNZSUDDZHE-UHFFFAOYSA-N 0 3 355.460 2.398 20 5 FEBDHN CCN1CCC(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000063665974 541177967 /nfs/dbraw/zinc/17/79/67/541177967.db2.gz VQIVNUMXBMTLCW-UHFFFAOYSA-N 0 3 367.471 2.437 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000067429488 541463135 /nfs/dbraw/zinc/46/31/35/541463135.db2.gz BUUJIZBXUYQWFQ-HUUCEWRRSA-N 0 3 353.444 2.062 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067439603 541464771 /nfs/dbraw/zinc/46/47/71/541464771.db2.gz SQVGWZRVZWRNSY-HZSPNIEDSA-N 0 3 362.430 2.016 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)cc1OC ZINC000071016628 541758535 /nfs/dbraw/zinc/75/85/35/541758535.db2.gz UORAOWMAKQMNKH-UHFFFAOYSA-N 0 3 351.403 2.168 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000075630614 542193350 /nfs/dbraw/zinc/19/33/50/542193350.db2.gz URBFCGGJTXAITK-KRWDZBQOSA-N 0 3 371.441 2.443 20 5 FEBDHN Cc1ccc(CNC[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000075777549 542202885 /nfs/dbraw/zinc/20/28/85/542202885.db2.gz FHHAUBRVPPXNAY-LJQANCHMSA-N 0 3 355.438 2.412 20 5 FEBDHN CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000801572556 674136818 /nfs/dbraw/zinc/13/68/18/674136818.db2.gz JOVMFPDBJNRYNP-INIZCTEOSA-N 0 3 353.423 2.028 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000079709685 542538257 /nfs/dbraw/zinc/53/82/57/542538257.db2.gz ILVQLWMDQJOWBY-DOTOQJQBSA-N 0 3 371.441 2.351 20 5 FEBDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081532694 542662955 /nfs/dbraw/zinc/66/29/55/542662955.db2.gz GCIRGDBINDDDCJ-SFHVURJKSA-N 0 3 368.437 2.400 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2nnc[nH]2)CC1 ZINC000083424375 542697283 /nfs/dbraw/zinc/69/72/83/542697283.db2.gz VUEFREIXWYVZDY-UHFFFAOYSA-N 0 3 358.402 2.230 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000102410355 543069255 /nfs/dbraw/zinc/06/92/55/543069255.db2.gz DULGROOUKHETRG-CQSZACIVSA-N 0 3 373.413 2.466 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000106479602 543231520 /nfs/dbraw/zinc/23/15/20/543231520.db2.gz JQZXZPVFCWFLKZ-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000106479589 543231667 /nfs/dbraw/zinc/23/16/67/543231667.db2.gz ZZRFOWVIODHPLP-KRWDZBQOSA-N 0 3 355.442 2.359 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891934 543252779 /nfs/dbraw/zinc/25/27/79/543252779.db2.gz CUCHOAJESUUAKE-ZDUSSCGKSA-N 0 3 353.444 2.198 20 5 FEBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(CN2CCCCC2)c1 ZINC000109719666 543335403 /nfs/dbraw/zinc/33/54/03/543335403.db2.gz FYKDLDRQZYNOHW-UHFFFAOYSA-N 0 3 370.409 2.381 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCN(C2CCCC2)CC1 ZINC000117334923 543629773 /nfs/dbraw/zinc/62/97/73/543629773.db2.gz GHFYKGALPLKFEZ-UHFFFAOYSA-N 0 3 374.441 2.453 20 5 FEBDHN Cc1cc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000123187113 543747527 /nfs/dbraw/zinc/74/75/27/543747527.db2.gz KSIGKVJHKBUCDK-UHFFFAOYSA-N 0 3 360.458 2.003 20 5 FEBDHN Cn1ccnc1C[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716756 543779063 /nfs/dbraw/zinc/77/90/63/543779063.db2.gz WNOGLJFNWWAWGF-WBVHZDCISA-N 0 3 374.441 2.023 20 5 FEBDHN C[C@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000123791574 543783440 /nfs/dbraw/zinc/78/34/40/543783440.db2.gz LRASCVSPZHMPLA-GOEBONIOSA-N 0 3 371.441 2.453 20 5 FEBDHN O=C(CCN1CCN(c2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000125278147 543872440 /nfs/dbraw/zinc/87/24/40/543872440.db2.gz UAYJDOWHFVMCKX-UHFFFAOYSA-N 0 3 355.398 2.141 20 5 FEBDHN O=C1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000125332492 543875801 /nfs/dbraw/zinc/87/58/01/543875801.db2.gz RDTHLMPPGDIVHE-ZBFHGGJFSA-N 0 3 359.426 2.449 20 5 FEBDHN COCCOC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128663496 544066004 /nfs/dbraw/zinc/06/60/04/544066004.db2.gz WYGZVKIKHBSTDF-UHFFFAOYSA-N 0 3 369.393 2.190 20 5 FEBDHN C[C@@H]1CN(C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000130209703 544143010 /nfs/dbraw/zinc/14/30/10/544143010.db2.gz YKESPKQWEQEJHH-CLCXKQKWSA-N 0 3 363.458 2.029 20 5 FEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134929766 544327400 /nfs/dbraw/zinc/32/74/00/544327400.db2.gz OGJIFNOXAGXFSA-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000137055954 544384147 /nfs/dbraw/zinc/38/41/47/544384147.db2.gz FRMUDUOCDKNRQB-HOCLYGCPSA-N 0 3 357.414 2.046 20 5 FEBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151627431 544563839 /nfs/dbraw/zinc/56/38/39/544563839.db2.gz AYRXABLXEYSWMN-CQSZACIVSA-N 0 3 353.444 2.010 20 5 FEBDHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000152477397 544659162 /nfs/dbraw/zinc/65/91/62/544659162.db2.gz WVVFGPBTSMKMKC-GXTWGEPZSA-N 0 3 365.459 2.181 20 5 FEBDHN C[C@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979179 327619562 /nfs/dbraw/zinc/61/95/62/327619562.db2.gz VVTPSQYFNIDWQL-HZMBPMFUSA-N 0 3 361.851 2.434 20 5 FEBDHN C[C@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064094 327759181 /nfs/dbraw/zinc/75/91/81/327759181.db2.gz HDQPMJDLCMVUGR-BLLLJJGKSA-N 0 3 362.430 2.336 20 5 FEBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000183556334 327824197 /nfs/dbraw/zinc/82/41/97/327824197.db2.gz RSHNIQSTRNJCDI-KRWDZBQOSA-N 0 3 367.471 2.027 20 5 FEBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000185773962 327932506 /nfs/dbraw/zinc/93/25/06/327932506.db2.gz KEYITQBPQVZLAA-OAHLLOKOSA-N 0 3 353.444 2.234 20 5 FEBDHN CCOC(=O)N1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000185790344 327932927 /nfs/dbraw/zinc/93/29/27/327932927.db2.gz GPJSQAYJDXHDPH-HNNXBMFYSA-N 0 3 373.413 2.316 20 5 FEBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188118725 328067239 /nfs/dbraw/zinc/06/72/39/328067239.db2.gz FDVQRFNMMUADAG-FQEVSTJZSA-N 0 3 369.421 2.304 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000188255258 328076011 /nfs/dbraw/zinc/07/60/11/328076011.db2.gz PSBZPQKHIZHGJL-UHFFFAOYSA-N 0 3 355.460 2.400 20 5 FEBDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000189139962 328130850 /nfs/dbraw/zinc/13/08/50/328130850.db2.gz GQHYMMPUUBKXOW-UHFFFAOYSA-N 0 3 361.851 2.353 20 5 FEBDHN COC(=O)c1cnc(NCCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000189339399 328141820 /nfs/dbraw/zinc/14/18/20/328141820.db2.gz CNZXRBBZQPRXPO-UHFFFAOYSA-N 0 3 362.361 2.459 20 5 FEBDHN CCN1CCN(C[C@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000189442842 328148523 /nfs/dbraw/zinc/14/85/23/328148523.db2.gz RQTXIDLABLVWRB-CYBMUJFWSA-N 0 3 354.426 2.428 20 5 FEBDHN CC[C@@](C)(O)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000189717660 328163943 /nfs/dbraw/zinc/16/39/43/328163943.db2.gz KUZYVNCNVQLLRH-LJQANCHMSA-N 0 3 359.426 2.420 20 5 FEBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C)c3ccncc32)c1[N+](=O)[O-] ZINC000191776638 328281157 /nfs/dbraw/zinc/28/11/57/328281157.db2.gz RTUYQMJGFYCYOG-UHFFFAOYSA-N 0 3 362.411 2.252 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000191975608 328291281 /nfs/dbraw/zinc/29/12/81/328291281.db2.gz RNCVIKSNHOKDSQ-CQSZACIVSA-N 0 3 355.460 2.174 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000193293347 328367253 /nfs/dbraw/zinc/36/72/53/328367253.db2.gz NPDQSWRXNRGWFH-MNOVXSKESA-N 0 3 361.851 2.352 20 5 FEBDHN CC1CCN([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000194608381 328432085 /nfs/dbraw/zinc/43/20/85/328432085.db2.gz XJRHTTFSMHHGEV-SFHVURJKSA-N 0 3 371.441 2.381 20 5 FEBDHN Cc1ccc(S(=O)(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000008060071 324360788 /nfs/dbraw/zinc/36/07/88/324360788.db2.gz HVTKOCAVNQITBD-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(CN(C)C)c1 ZINC000026854328 324428584 /nfs/dbraw/zinc/42/85/84/324428584.db2.gz GUOGLBYLROWIRK-UHFFFAOYSA-N 0 3 363.439 2.443 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000080922318 325147247 /nfs/dbraw/zinc/14/72/47/325147247.db2.gz MVIBNOVONYMDAY-UHFFFAOYSA-N 0 3 369.421 2.482 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000083028690 325211319 /nfs/dbraw/zinc/21/13/19/325211319.db2.gz TYMGRJAVNBZEHR-OKILXGFUSA-N 0 3 365.430 2.223 20 5 FEBDHN COc1cc(CNCC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000114771387 325920798 /nfs/dbraw/zinc/92/07/98/325920798.db2.gz ZJSXJVXQMNJSRF-SECBINFHSA-N 0 3 352.309 2.405 20 5 FEBDHN Cc1nn(CCC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000116651557 326028648 /nfs/dbraw/zinc/02/86/48/326028648.db2.gz WNFSFKCCUKOJDJ-QGZVFWFLSA-N 0 3 373.457 2.087 20 5 FEBDHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(C)C ZINC000118099135 326081466 /nfs/dbraw/zinc/08/14/66/326081466.db2.gz UECLLRINUOGLRT-MRXNPFEDSA-N 0 3 364.446 2.324 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000120965867 326303067 /nfs/dbraw/zinc/30/30/67/326303067.db2.gz XESFSNYZTURRJQ-ZDUSSCGKSA-N 0 3 362.430 2.141 20 5 FEBDHN CN(C)CCOc1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000124152147 326448602 /nfs/dbraw/zinc/44/86/02/326448602.db2.gz GIIHSWZOXYTJBN-VMPITWQZSA-N 0 3 370.409 2.260 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000126775246 326494966 /nfs/dbraw/zinc/49/49/66/326494966.db2.gz YYHKCNZTCZFBAS-MRXNPFEDSA-N 0 3 373.409 2.457 20 5 FEBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000126832356 326495902 /nfs/dbraw/zinc/49/59/02/326495902.db2.gz WMQPCSBACOLTKN-KRWDZBQOSA-N 0 3 373.409 2.077 20 5 FEBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313292 326572441 /nfs/dbraw/zinc/57/24/41/326572441.db2.gz QYCMHZNKDAJQPT-XHVZSJERSA-N 0 3 368.821 2.209 20 5 FEBDHN COCCN1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000138544436 326662766 /nfs/dbraw/zinc/66/27/66/326662766.db2.gz VZZZJGQMIWNZDX-UHFFFAOYSA-N 0 3 362.430 2.010 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000154302618 326756450 /nfs/dbraw/zinc/75/64/50/326756450.db2.gz ROBMLLFHXURSPJ-GFCCVEGCSA-N 0 3 359.423 2.147 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000162723887 327033049 /nfs/dbraw/zinc/03/30/49/327033049.db2.gz JOESIMHDLACJPM-HIFRSBDPSA-N 0 3 357.414 2.443 20 5 FEBDHN Cc1c(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000162891089 327037177 /nfs/dbraw/zinc/03/71/77/327037177.db2.gz WNHLPNHXENQNEP-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN CN(C)CCOc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173323688 327250002 /nfs/dbraw/zinc/25/00/02/327250002.db2.gz ONCOKJLZORQEQW-UHFFFAOYSA-N 0 3 357.410 2.394 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000173671346 327275536 /nfs/dbraw/zinc/27/55/36/327275536.db2.gz QOJUJTYHZOXBDY-CQSZACIVSA-N 0 3 355.460 2.398 20 5 FEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173829236 327287060 /nfs/dbraw/zinc/28/70/60/327287060.db2.gz INVPGAXPUYAYOQ-HUUCEWRRSA-N 0 3 367.471 2.459 20 5 FEBDHN C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864748 329266955 /nfs/dbraw/zinc/26/69/55/329266955.db2.gz LXMMODGKLJRKJC-WFASDCNBSA-N 0 3 360.366 2.414 20 5 FEBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267479888 329331862 /nfs/dbraw/zinc/33/18/62/329331862.db2.gz UYFCITZMXVVAKW-BBRMVZONSA-N 0 3 371.441 2.277 20 5 FEBDHN CCC(CC)(CNCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000270782744 329631310 /nfs/dbraw/zinc/63/13/10/329631310.db2.gz HXTQLMOJWUXPOE-UHFFFAOYSA-N 0 3 367.402 2.111 20 5 FEBDHN CCOc1ccc([C@@H](C)NCCCN(C)S(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000271181263 329670200 /nfs/dbraw/zinc/67/02/00/329670200.db2.gz VYGYKUNUQIWINY-CYBMUJFWSA-N 0 3 373.475 2.316 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1N(C)C ZINC000271218370 329674233 /nfs/dbraw/zinc/67/42/33/329674233.db2.gz ZLAQWWLQGRCHRM-HZPDHXFCSA-N 0 3 362.455 2.123 20 5 FEBDHN COc1ccc(NC(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000272827469 329815710 /nfs/dbraw/zinc/81/57/10/329815710.db2.gz MEPSFTQXRFHRAV-OAHLLOKOSA-N 0 3 354.432 2.162 20 5 FEBDHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486768 329868718 /nfs/dbraw/zinc/86/87/18/329868718.db2.gz VWCSSUWENFWGTJ-HZPDHXFCSA-N 0 3 368.455 2.306 20 5 FEBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000281823259 330177208 /nfs/dbraw/zinc/17/72/08/330177208.db2.gz ULAKOYMGVNZJMO-DLBZAZTESA-N 0 3 354.410 2.228 20 5 FEBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461428 330245013 /nfs/dbraw/zinc/24/50/13/330245013.db2.gz XWFNYAWNDVZEAF-QAPCUYQASA-N 0 3 360.414 2.295 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157735073 545774763 /nfs/dbraw/zinc/77/47/63/545774763.db2.gz NNJIRRLODZIWLL-CVEARBPZSA-N 0 3 369.425 2.445 20 5 FEBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157735073 545774773 /nfs/dbraw/zinc/77/47/73/545774773.db2.gz NNJIRRLODZIWLL-CVEARBPZSA-N 0 3 369.425 2.445 20 5 FEBDHN CN(C)CCNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478221527 561162459 /nfs/dbraw/zinc/16/24/59/561162459.db2.gz BOIUUJUJCBZRQX-UHFFFAOYSA-N 0 3 374.416 2.315 20 5 FEBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000162735082 546141293 /nfs/dbraw/zinc/14/12/93/546141293.db2.gz PMCAVUOVOJCLJO-ZJUUUORDSA-N 0 3 372.219 2.310 20 5 FEBDHN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000173683540 546285501 /nfs/dbraw/zinc/28/55/01/546285501.db2.gz YGYMLBXZSLVTKL-HUUCEWRRSA-N 0 3 361.446 2.267 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000177772288 546682993 /nfs/dbraw/zinc/68/29/93/546682993.db2.gz OYSFGEZTNTZLCY-CABCVRRESA-N 0 3 361.398 2.080 20 5 FEBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737328 561240290 /nfs/dbraw/zinc/24/02/90/561240290.db2.gz CWZZAJTVSJGLJO-GOEBONIOSA-N 0 3 352.387 2.016 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000180475529 547114952 /nfs/dbraw/zinc/11/49/52/547114952.db2.gz TXTMPRKBJRQAOS-KRWDZBQOSA-N 0 3 369.421 2.482 20 5 FEBDHN CC(C)CS(=O)(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000181121326 547254088 /nfs/dbraw/zinc/25/40/88/547254088.db2.gz LKQUVEHNKYUIHS-UHFFFAOYSA-N 0 3 355.460 2.135 20 5 FEBDHN CCN(CC)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000181513973 547326795 /nfs/dbraw/zinc/32/67/95/547326795.db2.gz SVWMHLHHPINLCI-NSHDSACASA-N 0 3 361.489 2.228 20 5 FEBDHN CNc1c(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000483378800 561275246 /nfs/dbraw/zinc/27/52/46/561275246.db2.gz FMRWETIFLHBQDL-HUUCEWRRSA-N 0 3 364.471 2.288 20 5 FEBDHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656275 547354824 /nfs/dbraw/zinc/35/48/24/547354824.db2.gz LRABHPPYRNJZLC-BBRMVZONSA-N 0 3 354.357 2.417 20 5 FEBDHN CC(C)OC(=O)C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181834781 547388055 /nfs/dbraw/zinc/38/80/55/547388055.db2.gz FHELTKHWEKKIEV-KRWDZBQOSA-N 0 3 373.409 2.429 20 5 FEBDHN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CN1CCCCC1 ZINC000183523540 547675240 /nfs/dbraw/zinc/67/52/40/547675240.db2.gz NGJLOAFHOCCVOP-HNNXBMFYSA-N 0 3 369.487 2.179 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)C1CCCCC1 ZINC000183716996 547706697 /nfs/dbraw/zinc/70/66/97/547706697.db2.gz JCXXHEBZPWJTNY-HNNXBMFYSA-N 0 3 365.430 2.463 20 5 FEBDHN COc1ccc(S(=O)(=O)N[C@H](C)CN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000186775817 548190363 /nfs/dbraw/zinc/19/03/63/548190363.db2.gz USGQHIJPGCNTHH-CYBMUJFWSA-N 0 3 371.459 2.146 20 5 FEBDHN CCOc1cc(NC2CCN(CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000486961831 561360399 /nfs/dbraw/zinc/36/03/99/561360399.db2.gz BJYVDQREFCVRJH-UHFFFAOYSA-N 0 3 364.446 2.348 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488046109 561382067 /nfs/dbraw/zinc/38/20/67/561382067.db2.gz UPQFNXUXXVBJGT-CZUORRHYSA-N 0 3 364.446 2.202 20 5 FEBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COC[C@H]2CCCO2)C2CC2)cc1 ZINC000245910228 549017725 /nfs/dbraw/zinc/01/77/25/549017725.db2.gz VLOLPNIIFNQKBE-QZTJIDSGSA-N 0 3 350.415 2.116 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246053158 549042109 /nfs/dbraw/zinc/04/21/09/549042109.db2.gz COMNPTHEIYKAHK-DZGCQCFKSA-N 0 3 355.460 2.254 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000488493716 561390622 /nfs/dbraw/zinc/39/06/22/561390622.db2.gz YFWDBBJFFBOSFR-NJAPINKUSA-N 0 3 357.414 2.482 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1C ZINC000246540421 549156069 /nfs/dbraw/zinc/15/60/69/549156069.db2.gz CWPYYBONVCZOQR-LSDHHAIUSA-N 0 3 367.471 2.316 20 5 FEBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000246748487 549202908 /nfs/dbraw/zinc/20/29/08/549202908.db2.gz ZRBQSYSJSDZYCU-LSDHHAIUSA-N 0 3 369.487 2.177 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H]2COCC[C@H]21 ZINC000246836222 549224671 /nfs/dbraw/zinc/22/46/71/549224671.db2.gz KIANFSXOAYDWNZ-HZPDHXFCSA-N 0 3 365.455 2.438 20 5 FEBDHN O=C(CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246983819 549256672 /nfs/dbraw/zinc/25/66/72/549256672.db2.gz WBLLTRQOKAHFFW-YOEHRIQHSA-N 0 3 358.442 2.482 20 5 FEBDHN CCOc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247372977 549325699 /nfs/dbraw/zinc/32/56/99/549325699.db2.gz KYOOBARLLNHGKB-OCCSQVGLSA-N 0 3 365.430 2.414 20 5 FEBDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000247923386 549392132 /nfs/dbraw/zinc/39/21/32/549392132.db2.gz CGDKQXUJEYFJJM-HOTGVXAUSA-N 0 3 367.471 2.026 20 5 FEBDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@@H]1C ZINC000489395448 561409874 /nfs/dbraw/zinc/40/98/74/561409874.db2.gz CTWVZFUNRSBULI-RHSMWYFYSA-N 0 3 365.430 2.358 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248504510 549451119 /nfs/dbraw/zinc/45/11/19/549451119.db2.gz VQTYLUKZKKHOCG-XHDPSFHLSA-N 0 3 373.450 2.393 20 5 FEBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1NCCc2ccccc21 ZINC000262464901 549821717 /nfs/dbraw/zinc/82/17/17/549821717.db2.gz XRVRRLXQYBZXME-INIZCTEOSA-N 0 3 359.357 2.116 20 5 FEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262807113 549851834 /nfs/dbraw/zinc/85/18/34/549851834.db2.gz QHNLSYVOAOXKTE-VHSXEESVSA-N 0 3 356.220 2.109 20 5 FEBDHN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000490630238 561436419 /nfs/dbraw/zinc/43/64/19/561436419.db2.gz JWCRXQOYUFMXGM-WMLDXEAASA-N 0 3 350.438 2.192 20 5 FEBDHN Cc1nn(CCC(=O)NCCN(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263858630 549946582 /nfs/dbraw/zinc/94/65/82/549946582.db2.gz WZLREBRPZADKET-UHFFFAOYSA-N 0 3 359.430 2.046 20 5 FEBDHN NC(=O)c1ccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269652851 550214083 /nfs/dbraw/zinc/21/40/83/550214083.db2.gz GYIOCPHRUBKEBH-GOSISDBHSA-N 0 3 355.394 2.392 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708183 561457822 /nfs/dbraw/zinc/45/78/22/561457822.db2.gz OZXREGGBLFALQE-UXEPBGEESA-N 0 3 351.403 2.071 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000270407402 550270186 /nfs/dbraw/zinc/27/01/86/550270186.db2.gz AKBODNKMVGAJGA-ZIAGYGMSSA-N 0 3 355.485 2.434 20 5 FEBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271466497 550377398 /nfs/dbraw/zinc/37/73/98/550377398.db2.gz YAWQMEGJZOTPGI-UHFFFAOYSA-N 0 3 365.821 2.186 20 5 FEBDHN COc1ccc([C@@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000272747891 550468633 /nfs/dbraw/zinc/46/86/33/550468633.db2.gz JJIJMMCKCFBUDX-CQSZACIVSA-N 0 3 358.402 2.225 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCCO)Cc1ccccc1 ZINC000273278221 550493005 /nfs/dbraw/zinc/49/30/05/550493005.db2.gz CXGCYHFKLCVBNX-KRWDZBQOSA-N 0 3 360.410 2.219 20 5 FEBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278505679 550793276 /nfs/dbraw/zinc/79/32/76/550793276.db2.gz LUNCOXYKUDUWFW-GFCCVEGCSA-N 0 3 355.822 2.479 20 5 FEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799876 550823487 /nfs/dbraw/zinc/82/34/87/550823487.db2.gz XOQSTOYLTMVSHF-MLGOLLRUSA-N 0 3 372.429 2.097 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278931778 550837181 /nfs/dbraw/zinc/83/71/81/550837181.db2.gz STEGPYVWWAGEFC-UHFFFAOYSA-N 0 3 371.441 2.169 20 5 FEBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270498 550871936 /nfs/dbraw/zinc/87/19/36/550871936.db2.gz NHLCZVWDMUUDTD-LZQZEXGQSA-N 0 3 371.437 2.421 20 5 FEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281634842 551123506 /nfs/dbraw/zinc/12/35/06/551123506.db2.gz AAKRWYRWPBAPRV-UHFFFAOYSA-N 0 3 366.487 2.073 20 5 FEBDHN CCCN(C)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497516478 561502758 /nfs/dbraw/zinc/50/27/58/561502758.db2.gz OPDQIJPOVBSVGW-ZDUSSCGKSA-N 0 3 355.460 2.166 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000497711385 561506982 /nfs/dbraw/zinc/50/69/82/561506982.db2.gz BSMZTGOAUABPFW-UHFFFAOYSA-N 0 3 360.370 2.191 20 5 FEBDHN CN1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271743 551512415 /nfs/dbraw/zinc/51/24/15/551512415.db2.gz MUXWWSDOZLCLJW-FUHWJXTLSA-N 0 3 354.410 2.229 20 5 FEBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000284406417 551542583 /nfs/dbraw/zinc/54/25/83/551542583.db2.gz NQGKDIZSDSIAAC-UHFFFAOYSA-N 0 3 373.388 2.358 20 5 FEBDHN COc1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000285404521 551750757 /nfs/dbraw/zinc/75/07/57/551750757.db2.gz FJNCXGVKQZHMAE-HNNXBMFYSA-N 0 3 362.430 2.373 20 5 FEBDHN COc1ccc([C@@H](CN(C)C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000286001695 551836765 /nfs/dbraw/zinc/83/67/65/551836765.db2.gz ITMPAFUBAIOBDD-GOSISDBHSA-N 0 3 373.409 2.401 20 5 FEBDHN Nc1nc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000286497004 551892794 /nfs/dbraw/zinc/89/27/94/551892794.db2.gz XUZPEEWLZRXIFP-SFHVURJKSA-N 0 3 354.414 2.069 20 5 FEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787291 551925918 /nfs/dbraw/zinc/92/59/18/551925918.db2.gz RVSGOWALDSBYSW-GDBMZVCRSA-N 0 3 367.471 2.026 20 5 FEBDHN C[C@@H]1CN(CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCO1 ZINC000287782188 552045846 /nfs/dbraw/zinc/04/58/46/552045846.db2.gz OJLGEUYVDJWEIR-GFCCVEGCSA-N 0 3 361.402 2.156 20 5 FEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000499726148 561557114 /nfs/dbraw/zinc/55/71/14/561557114.db2.gz WQSBQUYVHNKCOF-AWEZNQCLSA-N 0 3 372.429 2.170 20 5 FEBDHN CC(C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289410229 552316507 /nfs/dbraw/zinc/31/65/07/552316507.db2.gz BLHDGBMKDNWJHM-UHFFFAOYSA-N 0 3 350.156 2.060 20 5 FEBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000500394620 561571534 /nfs/dbraw/zinc/57/15/34/561571534.db2.gz PXWAFRDRHJQBIV-MRXNPFEDSA-N 0 3 358.398 2.498 20 5 FEBDHN C[C@H](O)C(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289492366 552330125 /nfs/dbraw/zinc/33/01/25/552330125.db2.gz LBYIUDGYSVAUGJ-QMMMGPOBSA-N 0 3 364.183 2.448 20 5 FEBDHN C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000290539496 552495272 /nfs/dbraw/zinc/49/52/72/552495272.db2.gz DYRYQYCZHSHPBG-OCCSQVGLSA-N 0 3 355.398 2.164 20 5 FEBDHN COCCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000291452625 552625907 /nfs/dbraw/zinc/62/59/07/552625907.db2.gz OCZQEDQNHNJKLH-UHFFFAOYSA-N 0 3 371.384 2.446 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000295772688 553057069 /nfs/dbraw/zinc/05/70/69/553057069.db2.gz SROGTJBYNVBILI-KRWDZBQOSA-N 0 3 364.442 2.352 20 5 FEBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000295890581 553072166 /nfs/dbraw/zinc/07/21/66/553072166.db2.gz CPRMODIRLPCPBV-KGLIPLIRSA-N 0 3 364.446 2.347 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000297923800 553358079 /nfs/dbraw/zinc/35/80/79/553358079.db2.gz QSAARPPZMVPUDA-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298056411 553378090 /nfs/dbraw/zinc/37/80/90/553378090.db2.gz IIPLAEDLCCRMCS-SNVBAGLBSA-N 0 3 356.810 2.033 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503527395 561643750 /nfs/dbraw/zinc/64/37/50/561643750.db2.gz YGWLTVPAQDQRJG-ZWKOTPCHSA-N 0 3 357.410 2.484 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000298626486 553450680 /nfs/dbraw/zinc/45/06/80/553450680.db2.gz NZDBWZDSCWNOMI-UHFFFAOYSA-N 0 3 362.430 2.093 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000299379164 553555569 /nfs/dbraw/zinc/55/55/69/553555569.db2.gz PFGXUWNGPUNFHH-AWEZNQCLSA-N 0 3 353.444 2.152 20 5 FEBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301300100 553639947 /nfs/dbraw/zinc/63/99/47/553639947.db2.gz ZLSITEBVKLJBFD-CQSZACIVSA-N 0 3 364.402 2.368 20 5 FEBDHN CN(CC1CCN(c2ccncc2)CC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301948039 553693863 /nfs/dbraw/zinc/69/38/63/553693863.db2.gz HTCKWIVLANHZGL-UHFFFAOYSA-N 0 3 367.413 2.385 20 5 FEBDHN COCCN(C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000505518463 561672851 /nfs/dbraw/zinc/67/28/51/561672851.db2.gz DKBDQLFCRGJOBG-INIZCTEOSA-N 0 3 360.414 2.362 20 5 FEBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976189 553762923 /nfs/dbraw/zinc/76/29/23/553762923.db2.gz FLYZUXAHQTVOSJ-UWVGGRQHSA-N 0 3 369.219 2.061 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000326823489 553783530 /nfs/dbraw/zinc/78/35/30/553783530.db2.gz YICSJNVIQLPBEM-OAHLLOKOSA-N 0 3 373.862 2.273 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCCC2)cc1C ZINC000330533659 554134435 /nfs/dbraw/zinc/13/44/35/554134435.db2.gz COMMLQKUIFHTOG-UHFFFAOYSA-N 0 3 355.460 2.366 20 5 FEBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1N1CCCC1 ZINC000331922139 554346858 /nfs/dbraw/zinc/34/68/58/554346858.db2.gz JSHWHWUUGDHTOD-DLBZAZTESA-N 0 3 363.483 2.484 20 5 FEBDHN CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000331944896 554350100 /nfs/dbraw/zinc/35/01/00/554350100.db2.gz PZJAVHNXHJCICE-UHFFFAOYSA-N 0 3 357.414 2.162 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000332107834 554382161 /nfs/dbraw/zinc/38/21/61/554382161.db2.gz ZYDHARYODNMEIT-GDBMZVCRSA-N 0 3 365.455 2.255 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332225120 554404468 /nfs/dbraw/zinc/40/44/68/554404468.db2.gz BOTOTGFWLHIZTD-UONOGXRCSA-N 0 3 353.444 2.117 20 5 FEBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000510546093 561838408 /nfs/dbraw/zinc/83/84/08/561838408.db2.gz IDQXUIMXSFCGJL-MLGOLLRUSA-N 0 3 357.414 2.302 20 5 FEBDHN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccccc3OCCN(C)C)n2)n1C ZINC000350262309 554773851 /nfs/dbraw/zinc/77/38/51/554773851.db2.gz IWNQPYXIHOHOHA-UHFFFAOYSA-N 0 3 372.385 2.294 20 5 FEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853516 554892870 /nfs/dbraw/zinc/89/28/70/554892870.db2.gz YBZJFZAGLISLML-WBVHZDCISA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1nnc(C2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)[nH]1 ZINC000361304310 554915639 /nfs/dbraw/zinc/91/56/39/554915639.db2.gz OSUYRIKDXOILTE-INIZCTEOSA-N 0 3 370.413 2.006 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000511923476 561885763 /nfs/dbraw/zinc/88/57/63/561885763.db2.gz QCUHYTMCZGMFEY-HNNXBMFYSA-N 0 3 362.430 2.242 20 5 FEBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNc1ccncc1 ZINC000512016992 561889334 /nfs/dbraw/zinc/88/93/34/561889334.db2.gz RPFVVKODNNIMCY-UHFFFAOYSA-N 0 3 372.428 2.200 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000363707280 555168846 /nfs/dbraw/zinc/16/88/46/555168846.db2.gz FXRZYRUWJKXWOL-CQSZACIVSA-N 0 3 353.806 2.231 20 5 FEBDHN COc1ccc(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364308403 555288767 /nfs/dbraw/zinc/28/87/67/555288767.db2.gz XABFMCOPYJGARC-GJZGRUSLSA-N 0 3 359.357 2.309 20 5 FEBDHN O=C1Nc2ccccc2[C@]12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451237 555316524 /nfs/dbraw/zinc/31/65/24/555316524.db2.gz XMDLDGNAIYCKNU-PKOBYXMFSA-N 0 3 353.378 2.224 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(CC(C)C)CC1 ZINC000364839912 555412662 /nfs/dbraw/zinc/41/26/62/555412662.db2.gz DCGFZERRTGXLTR-UHFFFAOYSA-N 0 3 362.430 2.032 20 5 FEBDHN CCOc1cccc(N2CCC[C@@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000364902462 555432095 /nfs/dbraw/zinc/43/20/95/555432095.db2.gz CTXGUGXIRCEYEO-INIZCTEOSA-N 0 3 362.474 2.457 20 5 FEBDHN CCc1[nH]nc(C(=O)N(C)C2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365553336 555606989 /nfs/dbraw/zinc/60/69/89/555606989.db2.gz XQQRORSCOFGOOH-UHFFFAOYSA-N 0 3 372.429 2.012 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365854947 555684339 /nfs/dbraw/zinc/68/43/39/555684339.db2.gz JASQSSUVQXBLEH-HNNXBMFYSA-N 0 3 357.414 2.330 20 5 FEBDHN CCOc1ccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000365873854 555689596 /nfs/dbraw/zinc/68/95/96/555689596.db2.gz LZUSPAQKZZITLO-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FEBDHN CC(=O)c1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437466 556048634 /nfs/dbraw/zinc/04/86/34/556048634.db2.gz WMZJWYIWJSJYHU-KDOFPFPSSA-N 0 3 360.458 2.260 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000367661604 556107747 /nfs/dbraw/zinc/10/77/47/556107747.db2.gz RSOFRSAANPWMPF-INIZCTEOSA-N 0 3 362.474 2.063 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000368235858 556255341 /nfs/dbraw/zinc/25/53/41/556255341.db2.gz QYUCPARWYKUBRR-RDJZCZTQSA-N 0 3 350.415 2.083 20 5 FEBDHN CN(C)Cc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368305485 556274077 /nfs/dbraw/zinc/27/40/77/556274077.db2.gz WGOXOJXPEJRCBQ-UHFFFAOYSA-N 0 3 357.414 2.330 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664829 556378847 /nfs/dbraw/zinc/37/88/47/556378847.db2.gz YUEZPSIPGNXHGQ-ZBFHGGJFSA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664829 556378849 /nfs/dbraw/zinc/37/88/49/556378849.db2.gz YUEZPSIPGNXHGQ-ZBFHGGJFSA-N 0 3 360.414 2.246 20 5 FEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000368964549 556461202 /nfs/dbraw/zinc/46/12/02/556461202.db2.gz GLXMHBGNIQKJER-WBVHZDCISA-N 0 3 363.458 2.079 20 5 FEBDHN CC(=O)Nc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000515877259 562024577 /nfs/dbraw/zinc/02/45/77/562024577.db2.gz SBPLGRSSULGCJU-QGZVFWFLSA-N 0 3 359.382 2.083 20 5 FEBDHN Nc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369164020 556523056 /nfs/dbraw/zinc/52/30/56/556523056.db2.gz NPTBJJWJJNSNRI-HNNXBMFYSA-N 0 3 369.425 2.214 20 5 FEBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccs1 ZINC000369560300 556631472 /nfs/dbraw/zinc/63/14/72/556631472.db2.gz GBIQADBWCOEUKB-IINYFYTJSA-N 0 3 361.427 2.255 20 5 FEBDHN Cc1cccc(OC[C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369693146 556670347 /nfs/dbraw/zinc/67/03/47/556670347.db2.gz QEOGAUVDZILCEK-INIZCTEOSA-N 0 3 360.414 2.177 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000370107140 556782168 /nfs/dbraw/zinc/78/21/68/556782168.db2.gz GQBXCOSEGMSOBV-AWEZNQCLSA-N 0 3 353.444 2.070 20 5 FEBDHN O=[N+]([O-])c1cc(CNC2CCC(N3CCCS3(=O)=O)CC2)cs1 ZINC000371091807 557073053 /nfs/dbraw/zinc/07/30/53/557073053.db2.gz XEXYZIBJRYMSBH-UHFFFAOYSA-N 0 3 359.473 2.093 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227274 557112476 /nfs/dbraw/zinc/11/24/76/557112476.db2.gz CIQQXWVPVXUXBJ-NHYWBVRUSA-N 0 3 363.805 2.394 20 5 FEBDHN CN1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227274 557112477 /nfs/dbraw/zinc/11/24/77/557112477.db2.gz CIQQXWVPVXUXBJ-NHYWBVRUSA-N 0 3 363.805 2.394 20 5 FEBDHN COC(=O)c1ccoc1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000371387588 557170190 /nfs/dbraw/zinc/17/01/90/557170190.db2.gz DUSRYCFIAANCKH-UHFFFAOYSA-N 0 3 362.386 2.126 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069346 562103773 /nfs/dbraw/zinc/10/37/73/562103773.db2.gz OJXMVSXURLWASG-CHWSQXEVSA-N 0 3 363.414 2.359 20 5 FEBDHN CN(C)CCN(CC1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000519107861 562125145 /nfs/dbraw/zinc/12/51/45/562125145.db2.gz JZJSLVZEXNUWRG-UHFFFAOYSA-N 0 3 351.451 2.152 20 5 FEBDHN O=C(CCN1CCC[C@H](c2nnc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372602076 557517521 /nfs/dbraw/zinc/51/75/21/557517521.db2.gz VMJSPHLSQNCRNR-NSHDSACASA-N 0 3 362.365 2.060 20 5 FEBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520978260 562166833 /nfs/dbraw/zinc/16/68/33/562166833.db2.gz WWNWUKAXVYNYIP-ZIAGYGMSSA-N 0 3 372.429 2.168 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374280652 557857092 /nfs/dbraw/zinc/85/70/92/557857092.db2.gz RDOGNAMSUJQPRL-IBGZPJMESA-N 0 3 371.441 2.128 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375032741 557967444 /nfs/dbraw/zinc/96/74/44/557967444.db2.gz SVHYDYILPMEYNI-IAQYHMDHSA-N 0 3 352.822 2.213 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1ccc(F)cc1 ZINC000521674525 562182041 /nfs/dbraw/zinc/18/20/41/562182041.db2.gz LMCZBMRLGIAJBD-AWEZNQCLSA-N 0 3 350.346 2.142 20 5 FEBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457528 558693441 /nfs/dbraw/zinc/69/34/41/558693441.db2.gz TZGUGXDBBPPDRW-GOEBONIOSA-N 0 3 357.414 2.133 20 5 FEBDHN COc1cc(C(=O)NCCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524720339 562233110 /nfs/dbraw/zinc/23/31/10/562233110.db2.gz LIDSKZHNRLNUON-JTQLQIEISA-N 0 3 373.356 2.276 20 5 FEBDHN COc1cc(C(=O)N2CCCC23CCN(C)CC3)c([N+](=O)[O-])cc1F ZINC000410715146 558802564 /nfs/dbraw/zinc/80/25/64/558802564.db2.gz DKMOHHORKUFDBO-UHFFFAOYSA-N 0 3 351.378 2.443 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCC[C@@H](C)C2)c1F ZINC000411419116 558891607 /nfs/dbraw/zinc/89/16/07/558891607.db2.gz SDFSNNAWYQEOMV-GFCCVEGCSA-N 0 3 353.394 2.133 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411539656 558913272 /nfs/dbraw/zinc/91/32/72/558913272.db2.gz YKHZCWFAYSDKJS-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000411589111 558924248 /nfs/dbraw/zinc/92/42/48/558924248.db2.gz HJJNRPLUZBDKQZ-CQSZACIVSA-N 0 3 362.430 2.091 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1F ZINC000412186460 559019060 /nfs/dbraw/zinc/01/90/60/559019060.db2.gz SCFFZJLZGGYJEP-DGCLKSJQSA-N 0 3 353.394 2.130 20 5 FEBDHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1cccc([N+](=O)[O-])c1 ZINC000414732190 559182909 /nfs/dbraw/zinc/18/29/09/559182909.db2.gz IDAOEQMPBJUSNF-LBPRGKRZSA-N 0 3 368.393 2.056 20 5 FEBDHN Cn1cc(CN[C@@H]2CNCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415004051 559200148 /nfs/dbraw/zinc/20/01/48/559200148.db2.gz PTKQENLSIHZDFF-CQSZACIVSA-N 0 3 351.357 2.082 20 5 FEBDHN Cc1cc(S(=O)(=O)NC(C)(C)CN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416494253 559317566 /nfs/dbraw/zinc/31/75/66/559317566.db2.gz IAXOIAAFMZQCDA-UHFFFAOYSA-N 0 3 355.460 2.364 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c(C)cc1[N+](=O)[O-] ZINC000416554252 559321345 /nfs/dbraw/zinc/32/13/45/559321345.db2.gz JMDIDVQCIWOIFQ-AWEZNQCLSA-N 0 3 355.460 2.222 20 5 FEBDHN N[C@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000418456105 559402303 /nfs/dbraw/zinc/40/23/03/559402303.db2.gz SHWSCHNCUPUVMU-GOSISDBHSA-N 0 3 369.425 2.126 20 5 FEBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420457514 559488512 /nfs/dbraw/zinc/48/85/12/559488512.db2.gz OQYGTSSAEAFMLH-RKDXNWHRSA-N 0 3 367.349 2.019 20 5 FEBDHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000420467902 559489140 /nfs/dbraw/zinc/48/91/40/559489140.db2.gz TUTSSPUWSMQCPW-OAHLLOKOSA-N 0 3 363.439 2.444 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421775551 559553079 /nfs/dbraw/zinc/55/30/79/559553079.db2.gz XQQMYLHSKFGIKT-CQSZACIVSA-N 0 3 362.474 2.215 20 5 FEBDHN COC1([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421843669 559554929 /nfs/dbraw/zinc/55/49/29/559554929.db2.gz RCYAJWNOMKVRCQ-CYBMUJFWSA-N 0 3 356.444 2.306 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000422239114 559572990 /nfs/dbraw/zinc/57/29/90/559572990.db2.gz SLFFSXDXECOTCP-OAHLLOKOSA-N 0 3 363.462 2.441 20 5 FEBDHN COc1ccc(-c2ccc(CNC[C@@]3(O)CCO[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206101 559873732 /nfs/dbraw/zinc/87/37/32/559873732.db2.gz GMVWKRGOLYEFEH-XIKOKIGWSA-N 0 3 362.382 2.493 20 5 FEBDHN Cc1cc(OCC(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801730 559930346 /nfs/dbraw/zinc/93/03/46/559930346.db2.gz UYQNHMOIYDQBOP-ROUUACIJSA-N 0 3 369.421 2.496 20 5 FEBDHN CN(C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000443698043 560090565 /nfs/dbraw/zinc/09/05/65/560090565.db2.gz ZEFAFSPCOZTGID-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H](N2CCCC2)C1 ZINC000448933040 560207409 /nfs/dbraw/zinc/20/74/09/560207409.db2.gz NMOBSPDADPSFLX-INIZCTEOSA-N 0 3 369.425 2.481 20 5 FEBDHN COc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448932455 560207489 /nfs/dbraw/zinc/20/74/89/560207489.db2.gz JATISFMYBVLPCZ-LBPRGKRZSA-N 0 3 351.378 2.443 20 5 FEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)c1ccccc1 ZINC000449098613 560215890 /nfs/dbraw/zinc/21/58/90/560215890.db2.gz KFWOQKDFYLZESX-CQSZACIVSA-N 0 3 363.439 2.094 20 5 FEBDHN CN(C)C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000449883081 560244095 /nfs/dbraw/zinc/24/40/95/560244095.db2.gz YGDCQQGYQFWYCL-NSHDSACASA-N 0 3 361.320 2.016 20 5 FEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152968 560252312 /nfs/dbraw/zinc/25/23/12/560252312.db2.gz RQZRSXDDZZLIAF-GTNSWQLSSA-N 0 3 355.398 2.197 20 5 FEBDHN CCCN(CCN1CCN(CC)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450531330 560265302 /nfs/dbraw/zinc/26/53/02/560265302.db2.gz HUKNYOGXHVDUHL-UHFFFAOYSA-N 0 3 360.462 2.325 20 5 FEBDHN O=C1[C@H](N2CCC[C@@H]2[C@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419598 560305861 /nfs/dbraw/zinc/30/58/61/560305861.db2.gz LSICWUSEHOBQGH-BRSBDYLESA-N 0 3 359.426 2.326 20 5 FEBDHN O=C1[C@H](N[C@@H]([C@@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606516 560317212 /nfs/dbraw/zinc/31/72/12/560317212.db2.gz LSCFIZFZICQXPT-RCCFBDPRSA-N 0 3 359.426 2.087 20 5 FEBDHN CO[C@@H]1C[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845652 560332046 /nfs/dbraw/zinc/33/20/46/560332046.db2.gz ITQOLMIEAJCNRA-IAOVAPTHSA-N 0 3 350.415 2.224 20 5 FEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452386280 560362475 /nfs/dbraw/zinc/36/24/75/560362475.db2.gz WQCKOJGTWWMTSS-SJORKVTESA-N 0 3 363.458 2.127 20 5 FEBDHN Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000458214508 560609586 /nfs/dbraw/zinc/60/95/86/560609586.db2.gz PCKGJTBMJIJVNT-UHFFFAOYSA-N 0 3 360.370 2.197 20 5 FEBDHN C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000458886737 560654151 /nfs/dbraw/zinc/65/41/51/560654151.db2.gz HVNHIFPXBRUENM-WMLDXEAASA-N 0 3 364.446 2.408 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744235 560705831 /nfs/dbraw/zinc/70/58/31/560705831.db2.gz DQMGJICKDVOLEC-UVBJJODRSA-N 0 3 363.414 2.478 20 5 FEBDHN CC(C)S(=O)(=O)N1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000461611454 560776640 /nfs/dbraw/zinc/77/66/40/560776640.db2.gz SOZYMYJJYRCJLF-CYBMUJFWSA-N 0 3 355.460 2.448 20 5 FEBDHN Cc1cc(NCCCN2CCC[C@H]2C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461788635 560783528 /nfs/dbraw/zinc/78/35/28/560783528.db2.gz YASCDDBRKLJKSB-HNNXBMFYSA-N 0 3 352.410 2.397 20 5 FEBDHN COc1ccc(CSCC(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000464932838 560855313 /nfs/dbraw/zinc/85/53/13/560855313.db2.gz DUZUZNOGPNNLAW-AWEZNQCLSA-N 0 3 367.471 2.389 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](CCO)c1ccco1 ZINC000469512025 560956812 /nfs/dbraw/zinc/95/68/12/560956812.db2.gz LUKCCPGOKTYACW-ZDUSSCGKSA-N 0 3 361.354 2.199 20 5 FEBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000472559880 561029240 /nfs/dbraw/zinc/02/92/40/561029240.db2.gz HWEPMXTWSQBIKP-NWDGAFQWSA-N 0 3 366.393 2.052 20 5 FEBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000473509351 561051515 /nfs/dbraw/zinc/05/15/15/561051515.db2.gz CZOWOWORCGYSQS-UHFFFAOYSA-N 0 3 360.336 2.458 20 5 FEBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000473995454 561063065 /nfs/dbraw/zinc/06/30/65/561063065.db2.gz LIJWBYPOUZLUKA-DZGCQCFKSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000474011368 561063506 /nfs/dbraw/zinc/06/35/06/561063506.db2.gz QFTLEDRBYSHEMT-SECBINFHSA-N 0 3 350.293 2.435 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000474022058 561063763 /nfs/dbraw/zinc/06/37/63/561063763.db2.gz VLCDIZXMHUGTGX-UHFFFAOYSA-N 0 3 371.397 2.030 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000474025121 561063827 /nfs/dbraw/zinc/06/38/27/561063827.db2.gz ZYLXVEXAKYXXDH-LLVKDONJSA-N 0 3 365.411 2.496 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000474375403 561072536 /nfs/dbraw/zinc/07/25/36/561072536.db2.gz UEBDTZBPMPWSHD-AWEZNQCLSA-N 0 3 365.430 2.111 20 5 FEBDHN CN(CCN(C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000474553937 561076605 /nfs/dbraw/zinc/07/66/05/561076605.db2.gz APUJQMGLMBOMCO-UHFFFAOYSA-N 0 3 370.247 2.452 20 5 FEBDHN CN(C)CCOC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000474787247 561082821 /nfs/dbraw/zinc/08/28/21/561082821.db2.gz GUHFZCZEWQATOE-UHFFFAOYSA-N 0 3 373.251 2.299 20 5 FEBDHN CN1CCN(CCC(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000474818522 561083522 /nfs/dbraw/zinc/08/35/22/561083522.db2.gz UBPDAJLGHDVHIS-UHFFFAOYSA-N 0 3 374.441 2.487 20 5 FEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000476657818 561125427 /nfs/dbraw/zinc/12/54/27/561125427.db2.gz MHQMJEBSPNXNCD-ZFWWWQNUSA-N 0 3 357.414 2.111 20 5 FEBDHN COc1cc(CCNC(=O)CN2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291431 562440938 /nfs/dbraw/zinc/44/09/38/562440938.db2.gz XRPWUTUXBLSYPR-BETUJISGSA-N 0 3 365.430 2.144 20 5 FEBDHN CC[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000532187040 562470263 /nfs/dbraw/zinc/47/02/63/562470263.db2.gz FXNBJXUPOXKKDZ-GFCCVEGCSA-N 0 3 362.352 2.482 20 5 FEBDHN COc1cc(CNCCc2ccn(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000545560368 562629022 /nfs/dbraw/zinc/62/90/22/562629022.db2.gz MYFVQLLBJSVQQT-UHFFFAOYSA-N 0 3 370.356 2.313 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc2c1CCOC2 ZINC000601968199 567889792 /nfs/dbraw/zinc/88/97/92/567889792.db2.gz IYAFWVPIKKOYLE-MRXNPFEDSA-N 0 3 358.394 2.197 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@@H]1CN ZINC000569222483 568311786 /nfs/dbraw/zinc/31/17/86/568311786.db2.gz HSPURWMMWOFSQS-SFHVURJKSA-N 0 3 354.410 2.400 20 5 FEBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927234 568720635 /nfs/dbraw/zinc/72/06/35/568720635.db2.gz VLPTVGWMGLWFSH-HTQZYQBOSA-N 0 3 355.338 2.018 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370380 598469240 /nfs/dbraw/zinc/46/92/40/598469240.db2.gz PGMLXTXPWDSNDY-CQSZACIVSA-N 0 3 357.418 2.230 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370380 598469241 /nfs/dbraw/zinc/46/92/41/598469241.db2.gz PGMLXTXPWDSNDY-CQSZACIVSA-N 0 3 357.418 2.230 20 5 FEBDHN CC[NH+](CC)C[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180703 599498104 /nfs/dbraw/zinc/49/81/04/599498104.db2.gz GAXQXCBOZHMXBN-LLVKDONJSA-N 0 3 370.417 2.465 20 5 FEBDHN CC[NH+](CC)C[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180703 599498107 /nfs/dbraw/zinc/49/81/07/599498107.db2.gz GAXQXCBOZHMXBN-LLVKDONJSA-N 0 3 370.417 2.465 20 5 FEBDHN CCCC[N@H+](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821062596 599553216 /nfs/dbraw/zinc/55/32/16/599553216.db2.gz YXUHCLONNYREKT-UHFFFAOYSA-N 0 3 370.417 2.467 20 5 FEBDHN CCCC[N@@H+](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821062596 599553218 /nfs/dbraw/zinc/55/32/18/599553218.db2.gz YXUHCLONNYREKT-UHFFFAOYSA-N 0 3 370.417 2.467 20 5 FEBDHN CCCC[N@H+](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821062596 599553220 /nfs/dbraw/zinc/55/32/20/599553220.db2.gz YXUHCLONNYREKT-UHFFFAOYSA-N 0 3 370.417 2.467 20 5 FEBDHN CCCC[N@@H+](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821062596 599553222 /nfs/dbraw/zinc/55/32/22/599553222.db2.gz YXUHCLONNYREKT-UHFFFAOYSA-N 0 3 370.417 2.467 20 5 FEBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000809970738 674522657 /nfs/dbraw/zinc/52/26/57/674522657.db2.gz KGZVRSJYRIDSRT-QGZVFWFLSA-N 0 3 352.410 2.335 20 5 FEBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240100 606730474 /nfs/dbraw/zinc/73/04/74/606730474.db2.gz DXRVEBSVUJVGMY-MEBBXXQBSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240100 606730475 /nfs/dbraw/zinc/73/04/75/606730475.db2.gz DXRVEBSVUJVGMY-MEBBXXQBSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240100 606730477 /nfs/dbraw/zinc/73/04/77/606730477.db2.gz DXRVEBSVUJVGMY-MEBBXXQBSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240100 606730479 /nfs/dbraw/zinc/73/04/79/606730479.db2.gz DXRVEBSVUJVGMY-MEBBXXQBSA-N 0 3 368.401 2.075 20 5 FEBDHN CC[N@@H+]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452085 608371044 /nfs/dbraw/zinc/37/10/44/608371044.db2.gz NAJPWPRWIFVIIV-LLVKDONJSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@H+]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452085 608371046 /nfs/dbraw/zinc/37/10/46/608371046.db2.gz NAJPWPRWIFVIIV-LLVKDONJSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@@H+]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452085 608371048 /nfs/dbraw/zinc/37/10/48/608371048.db2.gz NAJPWPRWIFVIIV-LLVKDONJSA-N 0 3 368.401 2.219 20 5 FEBDHN CC[N@H+]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452085 608371050 /nfs/dbraw/zinc/37/10/50/608371050.db2.gz NAJPWPRWIFVIIV-LLVKDONJSA-N 0 3 368.401 2.219 20 5 FEBDHN C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824569368 608487021 /nfs/dbraw/zinc/48/70/21/608487021.db2.gz HJCFDIXCFQSYFW-MEDUHNTESA-N 0 3 354.370 2.159 20 5 FEBDHN C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569368 608487022 /nfs/dbraw/zinc/48/70/22/608487022.db2.gz HJCFDIXCFQSYFW-MEDUHNTESA-N 0 3 354.370 2.159 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)[N+](=O)[O-] ZINC000813115178 674721428 /nfs/dbraw/zinc/72/14/28/674721428.db2.gz LZYVQQUVQJXASW-QWRGUYRKSA-N 0 3 350.400 2.116 20 5 FEBDHN COc1cccc(-n2ccnc2SCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104361 674720154 /nfs/dbraw/zinc/72/01/54/674720154.db2.gz ZEXBKZVAYIPXCN-LLVKDONJSA-N 0 3 351.384 2.181 20 5 FEBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000813108253 674720527 /nfs/dbraw/zinc/72/05/27/674720527.db2.gz WYMPZISQBAYCIY-YPMHNXCESA-N 0 3 354.790 2.401 20 5 FEBDHN CC(COC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813110212 674720989 /nfs/dbraw/zinc/72/09/89/674720989.db2.gz UUCDJHFGWCVELH-DYVFJYSZSA-N 0 3 350.371 2.244 20 5 FEBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000562507480 674763856 /nfs/dbraw/zinc/76/38/56/674763856.db2.gz UQWIYXBHGGTBEZ-UHFFFAOYSA-N 0 3 352.387 2.340 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000563754174 674935818 /nfs/dbraw/zinc/93/58/18/674935818.db2.gz KUPMZKUFNAKIHV-XJKSGUPXSA-N 0 3 355.460 2.229 20 5 FEBDHN CSC1(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000564410611 675011736 /nfs/dbraw/zinc/01/17/36/675011736.db2.gz COQKTEYNRSNZIW-UHFFFAOYSA-N 0 3 373.500 2.009 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@H]2C1 ZINC001048814515 675015458 /nfs/dbraw/zinc/01/54/58/675015458.db2.gz OSEKJUOMPAVVFQ-FAXLKDOZSA-N 0 3 367.808 2.035 20 5 FEBDHN CCc1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000571203540 670834677 /nfs/dbraw/zinc/83/46/77/670834677.db2.gz YRZIIECNOIKWAX-UHFFFAOYSA-N 0 3 355.460 2.120 20 5 FEBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609563954 675926423 /nfs/dbraw/zinc/92/64/23/675926423.db2.gz JTEUMLYLTLDFPI-UHFFFAOYSA-N 0 3 352.460 2.404 20 5 FEBDHN CN1CCCC(C)(C)[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579102578 671712160 /nfs/dbraw/zinc/71/21/60/671712160.db2.gz JTNZRKVOFHIEJO-MRXNPFEDSA-N 0 3 369.487 2.079 20 5 FEBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)cs1 ZINC000119736410 671906985 /nfs/dbraw/zinc/90/69/85/671906985.db2.gz ANQSTRJEHWBXON-LBPRGKRZSA-N 0 3 359.473 2.295 20 5 FEBDHN CCCN(CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584260687 672170664 /nfs/dbraw/zinc/17/06/64/672170664.db2.gz QGZQSGVYDBTKFJ-UHFFFAOYSA-N 0 3 364.183 2.404 20 5 FEBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000584586445 672202483 /nfs/dbraw/zinc/20/24/83/672202483.db2.gz ZCQIXPIONDGUPB-UHFFFAOYSA-N 0 3 363.439 2.331 20 5 FEBDHN Cc1cc(S(=O)(=O)NCCCN2CCC(C)CC2)cc([N+](=O)[O-])c1F ZINC000154261022 672213291 /nfs/dbraw/zinc/21/32/91/672213291.db2.gz UWRUVWXHVDLRON-UHFFFAOYSA-N 0 3 373.450 2.443 20 5 FEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000585696619 672225818 /nfs/dbraw/zinc/22/58/18/672225818.db2.gz TYOJFJXXWZBBGW-UHFFFAOYSA-N 0 3 356.220 2.491 20 5 FEBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204936 676024530 /nfs/dbraw/zinc/02/45/30/676024530.db2.gz BUCLDBPVDICVHY-OLZOCXBDSA-N 0 3 351.403 2.289 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000590165381 672563077 /nfs/dbraw/zinc/56/30/77/672563077.db2.gz MWLMOHOMARCUPC-QGZVFWFLSA-N 0 3 367.471 2.318 20 5 FEBDHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611397510 676035522 /nfs/dbraw/zinc/03/55/22/676035522.db2.gz JHJNLCTZMFWWEU-ZDUSSCGKSA-N 0 3 350.419 2.066 20 5 FEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759168 673132371 /nfs/dbraw/zinc/13/23/71/673132371.db2.gz IPMCAVKRSVHFIG-LBPRGKRZSA-N 0 3 366.443 2.152 20 5 FEBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091660 673446096 /nfs/dbraw/zinc/44/60/96/673446096.db2.gz BOYHRRNXPIVKIJ-LLVKDONJSA-N 0 3 371.825 2.063 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598612999 673590532 /nfs/dbraw/zinc/59/05/32/673590532.db2.gz UPXWQWAFQGJKCP-GXTWGEPZSA-N 0 3 355.460 2.172 20 5 FEBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598613000 673590552 /nfs/dbraw/zinc/59/05/52/673590552.db2.gz UPXWQWAFQGJKCP-JSGCOSHPSA-N 0 3 355.460 2.172 20 5 FEBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542762665 673603328 /nfs/dbraw/zinc/60/33/28/673603328.db2.gz HLLPZFGGMZOSID-CYBMUJFWSA-N 0 3 354.382 2.308 20 5 FEBDHN C[N@@H+]1CCCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412868 673671925 /nfs/dbraw/zinc/67/19/25/673671925.db2.gz PSRIQMBBWMGVTM-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN C[N@H+]1CCCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412868 673671928 /nfs/dbraw/zinc/67/19/28/673671928.db2.gz PSRIQMBBWMGVTM-LLVKDONJSA-N 0 3 361.851 2.258 20 5 FEBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000546093759 673791578 /nfs/dbraw/zinc/79/15/78/673791578.db2.gz ZWYMKUJUPDOZTR-UONOGXRCSA-N 0 3 355.460 2.277 20 5 FEBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601401370 673855896 /nfs/dbraw/zinc/85/58/96/673855896.db2.gz NYKXGWAJRVMVGF-UHFFFAOYSA-N 0 3 361.489 2.461 20 5 FEBDHN C[C@@H](NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967592 675247660 /nfs/dbraw/zinc/24/76/60/675247660.db2.gz WODVGMWXKNADBR-IUODEOHRSA-N 0 3 353.419 2.473 20 5 FEBDHN CN1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000827473201 675758553 /nfs/dbraw/zinc/75/85/53/675758553.db2.gz FPVAXAGCBIZBSY-UHFFFAOYSA-N 0 3 366.849 2.100 20 5 FEBDHN COC1CCN(CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000616119241 676240249 /nfs/dbraw/zinc/24/02/49/676240249.db2.gz SUQDFFZAVHQENK-UHFFFAOYSA-N 0 3 350.419 2.444 20 5 FEBDHN CCCN1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619478846 676379516 /nfs/dbraw/zinc/37/95/16/676379516.db2.gz YUUNMGVNSPZNMT-UHFFFAOYSA-N 0 3 371.459 2.098 20 5 FEBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000829799942 677013414 /nfs/dbraw/zinc/01/34/14/677013414.db2.gz BUKBCVJDXXZSFE-BETUJISGSA-N 0 3 353.394 2.353 20 5 FEBDHN CS[C@@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@H]1N(C)C ZINC000831299748 679962719 /nfs/dbraw/zinc/96/27/19/679962719.db2.gz MIDAKYKNJDVEDE-GHMZBOCLSA-N 0 3 359.398 2.299 20 5 FEBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1sccc1Cl)C2 ZINC000981765131 680250478 /nfs/dbraw/zinc/25/04/78/680250478.db2.gz QSTGTPRVZWGAJU-DGCLKSJQSA-N 0 3 369.874 2.491 20 5 FEBDHN C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827628 680274125 /nfs/dbraw/zinc/27/41/25/680274125.db2.gz KPXAPFMSLVKQCO-WCQYABFASA-N 0 3 361.423 2.399 20 5 FEBDHN O=C(NCC1CCN(Cc2cccc(Cl)c2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398301 680460029 /nfs/dbraw/zinc/46/00/29/680460029.db2.gz BPQHVUCQUSLVLF-UKRRQHHQSA-N 0 3 369.824 2.473 20 5 FEBDHN O=C(OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842304768 680937594 /nfs/dbraw/zinc/93/75/94/680937594.db2.gz LIXNATPRCDRXOF-SGIREYDYSA-N 0 3 354.353 2.385 20 5 FEBDHN CC([C@H](OC(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845879313 681158780 /nfs/dbraw/zinc/15/87/80/681158780.db2.gz IOSNIFSCSGMAOI-HSMVNMDESA-N 0 3 373.402 2.290 20 5 FEBDHN CC([C@H](OC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882263 681159008 /nfs/dbraw/zinc/15/90/08/681159008.db2.gz OBGHCUNLOIPYNV-FJJYHAOUSA-N 0 3 352.362 2.367 20 5 FEBDHN CCC[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000776595875 681413224 /nfs/dbraw/zinc/41/32/24/681413224.db2.gz BSWDXXPRUQOQHE-ROUUACIJSA-N 0 3 351.447 2.061 20 5 FEBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c(Cl)c1 ZINC000913824482 685485970 /nfs/dbraw/zinc/48/59/70/685485970.db2.gz QYRSBDWCJRGULS-AWEZNQCLSA-N 0 3 360.819 2.443 20 5 FEBDHN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914289002 685502598 /nfs/dbraw/zinc/50/25/98/685502598.db2.gz ZPEGYJVHVMOGBN-KRWDZBQOSA-N 0 3 365.455 2.163 20 5 FEBDHN O=[N+]([O-])c1cc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)ccc1Cl ZINC000915708194 685517680 /nfs/dbraw/zinc/51/76/80/685517680.db2.gz IOEPSCLIIIJJLH-AWEZNQCLSA-N 0 3 360.819 2.443 20 5 FEBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCOC(F)F)CC3)nc2c1 ZINC000851935074 682187685 /nfs/dbraw/zinc/18/76/85/682187685.db2.gz LHRHZUZTJFFNIX-UHFFFAOYSA-N 0 3 355.345 2.222 20 5 FEBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000784822374 682254577 /nfs/dbraw/zinc/25/45/77/682254577.db2.gz UUQWXTARDIEIJZ-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791060758 682721593 /nfs/dbraw/zinc/72/15/93/682721593.db2.gz MJYQMKRVCLAQBG-ZDUSSCGKSA-N 0 3 363.443 2.450 20 5 FEBDHN Cc1cc(Cl)c(S(=O)(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000798470943 683354543 /nfs/dbraw/zinc/35/45/43/683354543.db2.gz TVQOGSWXORVSPE-UHFFFAOYSA-N 0 3 361.851 2.319 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1F ZINC000866793913 684154292 /nfs/dbraw/zinc/15/42/92/684154292.db2.gz LKZZDJXDHQRPMF-GFCCVEGCSA-N 0 3 359.423 2.005 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1F ZINC000866972198 684189446 /nfs/dbraw/zinc/18/94/46/684189446.db2.gz NQKLZRBUKMBBBK-JSGCOSHPSA-N 0 3 371.434 2.147 20 5 FEBDHN O=C1NCCC12CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000877783166 686456925 /nfs/dbraw/zinc/45/69/25/686456925.db2.gz HMIYQKLGEBAFAK-UHFFFAOYSA-N 0 3 368.231 2.459 20 5 FEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154484 686531251 /nfs/dbraw/zinc/53/12/51/686531251.db2.gz VRDAGGHERXACLX-CYBMUJFWSA-N 0 3 353.423 2.041 20 5 FEBDHN Cc1ccc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000882767740 687478762 /nfs/dbraw/zinc/47/87/62/687478762.db2.gz ZUTHVRGHKCGDCB-UHFFFAOYSA-N 0 3 367.471 2.461 20 5 FEBDHN O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC000899600771 690385263 /nfs/dbraw/zinc/38/52/63/690385263.db2.gz CFVVLVYEBGQYJR-HNNXBMFYSA-N 0 3 350.444 2.135 20 5 FEBDHN CCOc1cc(C(=O)NC[C@H](C)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000042505389 540064371 /nfs/dbraw/zinc/06/43/71/540064371.db2.gz XPBNSVWIBJFVBC-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN CCN1CCN(CCCCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043147694 540091473 /nfs/dbraw/zinc/09/14/73/540091473.db2.gz HVYQPOPNNVNUHB-UHFFFAOYSA-N 0 3 363.462 2.442 20 5 FEBDHN CN1CCN(Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000047284807 540302052 /nfs/dbraw/zinc/30/20/52/540302052.db2.gz HDBLICJUYPBYGK-UHFFFAOYSA-N 0 3 368.437 2.272 20 5 FEBDHN CN(C)Cc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047453143 540312245 /nfs/dbraw/zinc/31/22/45/540312245.db2.gz VOCABFLJTWETRI-UHFFFAOYSA-N 0 3 370.409 2.415 20 5 FEBDHN C[C@H]1CCCN(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053515200 540541271 /nfs/dbraw/zinc/54/12/71/540541271.db2.gz UUGXIIHQVJOUPJ-AWEZNQCLSA-N 0 3 371.441 2.457 20 5 FEBDHN O=C1[C@@H](N2CC[C@H](N3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399688 541457407 /nfs/dbraw/zinc/45/74/07/541457407.db2.gz DYSFYHKGNOSVTL-ROUUACIJSA-N 0 3 358.442 2.260 20 5 FEBDHN Cc1ccc(CNCc2ccc(C(=O)NCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000076893844 542328782 /nfs/dbraw/zinc/32/87/82/542328782.db2.gz UZOJJAFWVDVXJL-UHFFFAOYSA-N 0 3 370.453 2.484 20 5 FEBDHN CC(=O)N1CC[C@H](CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092100336 542845720 /nfs/dbraw/zinc/84/57/20/542845720.db2.gz FZSLPYSGEXTXFA-OAHLLOKOSA-N 0 3 371.441 2.296 20 5 FEBDHN CNC(=O)CC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093587714 542935013 /nfs/dbraw/zinc/93/50/13/542935013.db2.gz PLUYFQATSGORQQ-UHFFFAOYSA-N 0 3 371.441 2.343 20 5 FEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000094134871 542954177 /nfs/dbraw/zinc/95/41/77/542954177.db2.gz XEWUPDMIWRTOBO-CYBMUJFWSA-N 0 3 362.474 2.133 20 5 FEBDHN CCc1nn(C)c(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000094170116 542955743 /nfs/dbraw/zinc/95/57/43/542955743.db2.gz LKMPWQFYHLUVSQ-UHFFFAOYSA-N 0 3 373.457 2.460 20 5 FEBDHN CC1CC[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997040 543001689 /nfs/dbraw/zinc/00/16/89/543001689.db2.gz NVKSHCVTYIXBID-UHFFFAOYSA-N 0 3 359.423 2.134 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](n2cccn2)C1 ZINC000102410343 543069057 /nfs/dbraw/zinc/06/90/57/543069057.db2.gz TZTDRCZDRINFKR-HNNXBMFYSA-N 0 3 373.413 2.466 20 5 FEBDHN O=C(CCN1CCC(N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000104730513 543139945 /nfs/dbraw/zinc/13/99/45/543139945.db2.gz MVZOHFDDRHDZKV-UHFFFAOYSA-N 0 3 360.414 2.010 20 5 FEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000247449518 549335368 /nfs/dbraw/zinc/33/53/68/549335368.db2.gz YZAIBVLZUWKHJF-KSSFIOAISA-N 0 3 369.425 2.337 20 5 FEBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113231113 543478632 /nfs/dbraw/zinc/47/86/32/543478632.db2.gz PTJYGPFEXBXXML-CZUORRHYSA-N 0 3 369.425 2.304 20 5 FEBDHN O=[N+]([O-])c1cc(Cl)ccc1NCCCCN1CCN(CCO)CC1 ZINC000114450869 543516260 /nfs/dbraw/zinc/51/62/60/543516260.db2.gz ZCGWJGHNOOGCJO-UHFFFAOYSA-N 0 3 356.854 2.050 20 5 FEBDHN Cc1cccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000116922628 543619685 /nfs/dbraw/zinc/61/96/85/543619685.db2.gz HRAQVZFOPXLFEN-UHFFFAOYSA-N 0 3 363.439 2.280 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2ccncc2)CC1 ZINC000125246602 543870079 /nfs/dbraw/zinc/87/00/79/543870079.db2.gz ZTXLJMOHVKJURZ-UHFFFAOYSA-N 0 3 369.425 2.449 20 5 FEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000134789545 544321751 /nfs/dbraw/zinc/32/17/51/544321751.db2.gz MGLNNMBMNYXOBL-UONOGXRCSA-N 0 3 355.398 2.089 20 5 FEBDHN Cc1c(NC(=O)CCN2CCS[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135510762 544349764 /nfs/dbraw/zinc/34/97/64/544349764.db2.gz ISQIBWOIEZHHKM-JKSUJKDBSA-N 0 3 365.455 2.438 20 5 FEBDHN CC(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135507521 544350079 /nfs/dbraw/zinc/35/00/79/544350079.db2.gz ZSBOYMPWAUNBMH-OAHLLOKOSA-N 0 3 357.414 2.131 20 5 FEBDHN CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135507521 544350080 /nfs/dbraw/zinc/35/00/80/544350080.db2.gz ZSBOYMPWAUNBMH-OAHLLOKOSA-N 0 3 357.414 2.131 20 5 FEBDHN C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CN1C1CC1 ZINC000152988079 544719629 /nfs/dbraw/zinc/71/96/29/544719629.db2.gz BNSYYIUXFWDRIL-STQMWFEESA-N 0 3 355.398 2.136 20 5 FEBDHN CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000153265828 544754220 /nfs/dbraw/zinc/75/42/20/544754220.db2.gz RNIAHAKEZKWNBG-UHFFFAOYSA-N 0 3 370.247 2.454 20 5 FEBDHN Cc1ccc(CN(C)C)cc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000155192723 545000259 /nfs/dbraw/zinc/00/02/59/545000259.db2.gz BHKASVQLNYKASG-UHFFFAOYSA-N 0 3 370.409 2.333 20 5 FEBDHN O=[N+]([O-])c1cccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185857528 327935910 /nfs/dbraw/zinc/93/59/10/327935910.db2.gz DCKHESIKLZLXKG-UHFFFAOYSA-N 0 3 361.423 2.425 20 5 FEBDHN C[NH+]1CCC(Nc2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188366900 328083148 /nfs/dbraw/zinc/08/31/48/328083148.db2.gz GMMKTFLPPZRSFV-UHFFFAOYSA-N 0 3 371.397 2.454 20 5 FEBDHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189147785 328131479 /nfs/dbraw/zinc/13/14/79/328131479.db2.gz HGJGFCKTYBRWGI-UONOGXRCSA-N 0 3 355.460 2.135 20 5 FEBDHN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000191257347 328256812 /nfs/dbraw/zinc/25/68/12/328256812.db2.gz ASYRGLOQASMEGZ-CXAGYDPISA-N 0 3 370.409 2.341 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191987159 328292022 /nfs/dbraw/zinc/29/20/22/328292022.db2.gz JAWPYTGLTIEWOB-UONOGXRCSA-N 0 3 355.460 2.172 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000193918346 328401965 /nfs/dbraw/zinc/40/19/65/328401965.db2.gz MWSFSGIDUIYRRD-UHFFFAOYSA-N 0 3 371.459 2.145 20 5 FEBDHN Cc1c(C(=O)N[C@H](C)CN2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000078827743 325064643 /nfs/dbraw/zinc/06/46/43/325064643.db2.gz KXSWHXYKAKCRQJ-CYBMUJFWSA-N 0 3 372.429 2.088 20 5 FEBDHN C[C@H](CCc1ccco1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015279 325351589 /nfs/dbraw/zinc/35/15/89/325351589.db2.gz YCJQOFLKVMLSCG-CYBMUJFWSA-N 0 3 367.427 2.077 20 5 FEBDHN CCOc1ccc([C@@H](C)NCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090183088 325356347 /nfs/dbraw/zinc/35/63/47/325356347.db2.gz OGRFWHIVPPIDGF-GFCCVEGCSA-N 0 3 356.444 2.469 20 5 FEBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000118787470 326102750 /nfs/dbraw/zinc/10/27/50/326102750.db2.gz HCFWAOWFGKOOGX-AWEZNQCLSA-N 0 3 363.462 2.298 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000120669958 326277340 /nfs/dbraw/zinc/27/73/40/326277340.db2.gz WVKVRQKQNUNRNU-MNOVXSKESA-N 0 3 368.821 2.128 20 5 FEBDHN CCC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000121752803 326363846 /nfs/dbraw/zinc/36/38/46/326363846.db2.gz JNILQCWFNLXDPC-QGZVFWFLSA-N 0 3 351.447 2.406 20 5 FEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000122395267 326394967 /nfs/dbraw/zinc/39/49/67/326394967.db2.gz UMQKGQJPBNHWNV-ZBFHGGJFSA-N 0 3 367.471 2.262 20 5 FEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000130941413 326566136 /nfs/dbraw/zinc/56/61/36/326566136.db2.gz CRFDJSCTSRRODG-UHFFFAOYSA-N 0 3 355.398 2.137 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000162855020 327036333 /nfs/dbraw/zinc/03/63/33/327036333.db2.gz DRJYXFGJBLHGSW-UHFFFAOYSA-N 0 3 362.430 2.175 20 5 FEBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164232211 327067111 /nfs/dbraw/zinc/06/71/11/327067111.db2.gz VABKQZMTMSFPDJ-OCCSQVGLSA-N 0 3 362.386 2.368 20 5 FEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000173996105 327300277 /nfs/dbraw/zinc/30/02/77/327300277.db2.gz OHBFKJXMHWWEAF-QGZVFWFLSA-N 0 3 372.425 2.199 20 5 FEBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000175091633 327373375 /nfs/dbraw/zinc/37/33/75/327373375.db2.gz PFCYDKQAWKOPSB-OAHLLOKOSA-N 0 3 367.471 2.461 20 5 FEBDHN C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648908 327598098 /nfs/dbraw/zinc/59/80/98/327598098.db2.gz LNXPWDFXUVZLDP-WMLDXEAASA-N 0 3 351.472 2.453 20 5 FEBDHN COc1ccccc1[C@H]1CNCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261862999 328825103 /nfs/dbraw/zinc/82/51/03/328825103.db2.gz WPABFJZBJWEPIG-QGZVFWFLSA-N 0 3 370.409 2.188 20 5 FEBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264854262 329067732 /nfs/dbraw/zinc/06/77/32/329067732.db2.gz CVBUKXFPXMBASI-CQSZACIVSA-N 0 3 373.457 2.080 20 5 FEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960573 329176798 /nfs/dbraw/zinc/17/67/98/329176798.db2.gz QBXKDJZIQWHGCK-CHWSQXEVSA-N 0 3 365.430 2.462 20 5 FEBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982735 329179087 /nfs/dbraw/zinc/17/90/87/329179087.db2.gz MRYRCTGXWGYRQT-DLBZAZTESA-N 0 3 350.415 2.226 20 5 FEBDHN CCO[C@H]1C[C@H](O)C12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982737 329179110 /nfs/dbraw/zinc/17/91/10/329179110.db2.gz MRYRCTGXWGYRQT-IRXDYDNUSA-N 0 3 350.415 2.226 20 5 FEBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267437874 329327383 /nfs/dbraw/zinc/32/73/83/329327383.db2.gz NXUJMMFVZKACDL-PBHICJAKSA-N 0 3 371.441 2.127 20 5 FEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1OC(F)F ZINC000267441761 329327640 /nfs/dbraw/zinc/32/76/40/329327640.db2.gz YWFDLSKHBBOCSW-LBPRGKRZSA-N 0 3 357.357 2.355 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267558271 329338211 /nfs/dbraw/zinc/33/82/11/329338211.db2.gz FVGSDJSGHHJKTE-KGLIPLIRSA-N 0 3 363.414 2.311 20 5 FEBDHN CCC[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031764 329479188 /nfs/dbraw/zinc/47/91/88/329479188.db2.gz RXQPKTCQQIPZEA-HOCLYGCPSA-N 0 3 355.460 2.450 20 5 FEBDHN COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000269121978 329487956 /nfs/dbraw/zinc/48/79/56/329487956.db2.gz GABJKMKTDOYHPG-LRDDRELGSA-N 0 3 354.428 2.453 20 5 FEBDHN CS[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000270619519 329615990 /nfs/dbraw/zinc/61/59/90/329615990.db2.gz DBWNPUJNGVRXOO-KBPBESRZSA-N 0 3 372.878 2.164 20 5 FEBDHN CS[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1N(C)C ZINC000270683058 329621795 /nfs/dbraw/zinc/62/17/95/329621795.db2.gz VJVUMYHSRAUSHQ-UONOGXRCSA-N 0 3 363.443 2.122 20 5 FEBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379411 329860039 /nfs/dbraw/zinc/86/00/39/329860039.db2.gz HGTKZWXJHMBNDG-ZYHUDNBSSA-N 0 3 356.220 2.491 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1 ZINC000273520492 329871387 /nfs/dbraw/zinc/87/13/87/329871387.db2.gz PIXWILVWDMGSMC-CVEARBPZSA-N 0 3 365.455 2.255 20 5 FEBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827030 330093510 /nfs/dbraw/zinc/09/35/10/330093510.db2.gz SUVPNAWIVGXCFQ-CJNGLKHVSA-N 0 3 355.822 2.397 20 5 FEBDHN COc1cc(CNC[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443477 330152363 /nfs/dbraw/zinc/15/23/63/330152363.db2.gz JAEVYVRTHWZUNR-CMPLNLGQSA-N 0 3 360.357 2.498 20 5 FEBDHN CSc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281817279 330176581 /nfs/dbraw/zinc/17/65/81/330176581.db2.gz QUCULBBMOQHCPX-UHFFFAOYSA-N 0 3 366.487 2.073 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000299697077 330199270 /nfs/dbraw/zinc/19/92/70/330199270.db2.gz OLVLWHILIAXMON-KGLIPLIRSA-N 0 3 362.430 2.091 20 5 FEBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461427 330244960 /nfs/dbraw/zinc/24/49/60/330244960.db2.gz XWFNYAWNDVZEAF-MAUKXSAKSA-N 0 3 360.414 2.295 20 5 FEBDHN COc1ccc(OCCN(CCO)[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000433184865 330275246 /nfs/dbraw/zinc/27/52/46/330275246.db2.gz YFKIABNGFWQMGH-ZDUSSCGKSA-N 0 3 356.444 2.172 20 5 FEBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187587 330275695 /nfs/dbraw/zinc/27/56/95/330275695.db2.gz OLVLOJIKOHYVDA-CABCVRRESA-N 0 3 370.471 2.179 20 5 FEBDHN C[C@](CO)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000156221704 545609506 /nfs/dbraw/zinc/60/95/06/545609506.db2.gz RETMZMCMOBDYNX-LJQANCHMSA-N 0 3 361.442 2.405 20 5 FEBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157255669 545720163 /nfs/dbraw/zinc/72/01/63/545720163.db2.gz YQUOXLQLTYLABK-UHFFFAOYSA-N 0 3 358.398 2.087 20 5 FEBDHN CN(CCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732073 545976390 /nfs/dbraw/zinc/97/63/90/545976390.db2.gz MBFPHWIGOOZHGI-UHFFFAOYSA-N 0 3 351.790 2.421 20 5 FEBDHN COc1cnccc1N1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000478460253 561167404 /nfs/dbraw/zinc/16/74/04/561167404.db2.gz IQMQPZAJFAVMDY-UHFFFAOYSA-N 0 3 356.382 2.269 20 5 FEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176301635 546429533 /nfs/dbraw/zinc/42/95/33/546429533.db2.gz AFNFSIXYLAZTRY-OCCSQVGLSA-N 0 3 370.409 2.135 20 5 FEBDHN CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000480755302 561216043 /nfs/dbraw/zinc/21/60/43/561216043.db2.gz GJOXTRGVFQIYIF-UHFFFAOYSA-N 0 3 355.460 2.136 20 5 FEBDHN CN1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481851041 561243950 /nfs/dbraw/zinc/24/39/50/561243950.db2.gz HQKWWQVCLZIASO-WBVHZDCISA-N 0 3 354.410 2.221 20 5 FEBDHN CN1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481851039 561244043 /nfs/dbraw/zinc/24/40/43/561244043.db2.gz HQKWWQVCLZIASO-NVXWUHKLSA-N 0 3 354.410 2.221 20 5 FEBDHN COCCO[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000179350589 546936873 /nfs/dbraw/zinc/93/68/73/546936873.db2.gz BFMAKGWCGVQWCF-MRXNPFEDSA-N 0 3 365.430 2.359 20 5 FEBDHN CS(=O)(=O)NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180035115 547042109 /nfs/dbraw/zinc/04/21/09/547042109.db2.gz QSQGATLKNFBNMP-QGZVFWFLSA-N 0 3 363.439 2.213 20 5 FEBDHN C[C@@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180416009 547105125 /nfs/dbraw/zinc/10/51/25/547105125.db2.gz TXBQZVDAMANKNZ-PXAZEXFGSA-N 0 3 364.423 2.383 20 5 FEBDHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000180480926 547116532 /nfs/dbraw/zinc/11/65/32/547116532.db2.gz JOAMCCYRVLXVJH-IBGZPJMESA-N 0 3 369.421 2.482 20 5 FEBDHN C[C@H]1OCC[C@@H]1N(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277041 561272773 /nfs/dbraw/zinc/27/27/73/561272773.db2.gz IMHLIZNBIYTTFS-CJNGLKHVSA-N 0 3 361.398 2.264 20 5 FEBDHN Cc1cc(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000183291299 547633823 /nfs/dbraw/zinc/63/38/23/547633823.db2.gz MZNBZVAORWGNSS-CQSZACIVSA-N 0 3 355.460 2.446 20 5 FEBDHN Cc1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000183398845 547650145 /nfs/dbraw/zinc/65/01/45/547650145.db2.gz UWZFWHZUWMWREG-LJQANCHMSA-N 0 3 369.421 2.400 20 5 FEBDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184132835 547774323 /nfs/dbraw/zinc/77/43/23/547774323.db2.gz YCVOMIXCASILCT-CQSZACIVSA-N 0 3 355.460 2.279 20 5 FEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184309792 547805903 /nfs/dbraw/zinc/80/59/03/547805903.db2.gz MLNFASZCAFSUTC-GFCCVEGCSA-N 0 3 354.838 2.004 20 5 FEBDHN COCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184815812 547882455 /nfs/dbraw/zinc/88/24/55/547882455.db2.gz IDRINJQPIUFOEP-UHFFFAOYSA-N 0 3 374.235 2.055 20 5 FEBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186892362 548213878 /nfs/dbraw/zinc/21/38/78/548213878.db2.gz AUAOHHRACQMZII-LLVKDONJSA-N 0 3 356.785 2.470 20 5 FEBDHN CCN1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000193676960 548393100 /nfs/dbraw/zinc/39/31/00/548393100.db2.gz ZJTJPMVXUIVFEW-UHFFFAOYSA-N 0 3 363.462 2.442 20 5 FEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194736931 548523994 /nfs/dbraw/zinc/52/39/94/548523994.db2.gz MOHCRJFPXDJVBS-HNNXBMFYSA-N 0 3 354.410 2.429 20 5 FEBDHN COc1ccc(NC(=O)CCN2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971136 561380405 /nfs/dbraw/zinc/38/04/05/561380405.db2.gz MWJOKNWUPYTSLO-QGZVFWFLSA-N 0 3 364.446 2.204 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095707 561383458 /nfs/dbraw/zinc/38/34/58/561383458.db2.gz RSQVTSVLPJXBIN-GUYCJALGSA-N 0 3 364.446 2.202 20 5 FEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246229233 549084556 /nfs/dbraw/zinc/08/45/56/549084556.db2.gz FRMUDUOCDKNRQB-GDBMZVCRSA-N 0 3 357.414 2.046 20 5 FEBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000488506992 561390999 /nfs/dbraw/zinc/39/09/99/561390999.db2.gz VLYWDJKBBFYJAJ-XZOAIXRZSA-N 0 3 357.414 2.482 20 5 FEBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000247098037 549282608 /nfs/dbraw/zinc/28/26/08/549282608.db2.gz PWWAVRUBSSOGIY-BBRMVZONSA-N 0 3 353.444 2.008 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000248936202 549529225 /nfs/dbraw/zinc/52/92/25/549529225.db2.gz YIVKLQGCJJASKI-CZUORRHYSA-N 0 3 354.410 2.427 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249006045 549538810 /nfs/dbraw/zinc/53/88/10/549538810.db2.gz JAWPYTGLTIEWOB-KGLIPLIRSA-N 0 3 355.460 2.172 20 5 FEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000249172206 549564495 /nfs/dbraw/zinc/56/44/95/549564495.db2.gz LMMXWGGMJCWEMY-KGLIPLIRSA-N 0 3 355.460 2.135 20 5 FEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000250639874 549644085 /nfs/dbraw/zinc/64/40/85/549644085.db2.gz SQVGWZRVZWRNSY-MJBXVCDLSA-N 0 3 362.430 2.016 20 5 FEBDHN COc1ccc(NC(=O)CCN2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251683956 549651030 /nfs/dbraw/zinc/65/10/30/549651030.db2.gz JCWAGBWQBWIZIU-BLLLJJGKSA-N 0 3 351.403 2.289 20 5 FEBDHN CN1CC[C@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000490242162 561429507 /nfs/dbraw/zinc/42/95/07/561429507.db2.gz GWCZJAFHPKGNED-INIZCTEOSA-N 0 3 352.822 2.485 20 5 FEBDHN CC(C)CN1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268284430 550044889 /nfs/dbraw/zinc/04/48/89/550044889.db2.gz XFQRSONQXKLOKQ-ZDUSSCGKSA-N 0 3 355.460 2.388 20 5 FEBDHN C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858126 550123858 /nfs/dbraw/zinc/12/38/58/550123858.db2.gz RIZMMIAWXHBUIF-IUODEOHRSA-N 0 3 360.366 2.414 20 5 FEBDHN CCC[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031758 550146555 /nfs/dbraw/zinc/14/65/55/550146555.db2.gz RXQPKTCQQIPZEA-GDBMZVCRSA-N 0 3 355.460 2.450 20 5 FEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000492816956 561452949 /nfs/dbraw/zinc/45/29/49/561452949.db2.gz QYYAKDDMPJMVIT-NUTKFTJISA-N 0 3 373.413 2.165 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708184 561457759 /nfs/dbraw/zinc/45/77/59/561457759.db2.gz OZXREGGBLFALQE-XNJJOIOASA-N 0 3 351.403 2.071 20 5 FEBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1=O ZINC000270269566 550258184 /nfs/dbraw/zinc/25/81/84/550258184.db2.gz SYSIOVRQWVOQQE-UHFFFAOYSA-N 0 3 364.789 2.224 20 5 FEBDHN CS[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1N(C)C ZINC000270671310 550295357 /nfs/dbraw/zinc/29/53/57/550295357.db2.gz RMWOIASFIHTCEY-KBPBESRZSA-N 0 3 363.443 2.122 20 5 FEBDHN CC(C)c1n[nH]c(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000271460920 550376991 /nfs/dbraw/zinc/37/69/91/550376991.db2.gz XIBBYVYTDQXUNU-UHFFFAOYSA-N 0 3 372.429 2.483 20 5 FEBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538934 550456656 /nfs/dbraw/zinc/45/66/56/550456656.db2.gz RONGCKMOZDWFHZ-CHWSQXEVSA-N 0 3 353.423 2.026 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1 ZINC000273520498 550501657 /nfs/dbraw/zinc/50/16/57/550501657.db2.gz PIXWILVWDMGSMC-HZPDHXFCSA-N 0 3 365.455 2.255 20 5 FEBDHN COc1cc(CNC[C@@](C)(O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494635529 561472931 /nfs/dbraw/zinc/47/29/31/561472931.db2.gz UQJAYUGNCFEQIC-MRXNPFEDSA-N 0 3 360.357 2.498 20 5 FEBDHN CN1CCC(O)(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275700899 550573799 /nfs/dbraw/zinc/57/37/99/550573799.db2.gz FQDQGAZLYIAQLT-UHFFFAOYSA-N 0 3 365.433 2.280 20 5 FEBDHN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H](C)C1 ZINC000277605936 550690855 /nfs/dbraw/zinc/69/08/55/550690855.db2.gz AMGHIXGOECROGK-QWHCGFSZSA-N 0 3 374.445 2.391 20 5 FEBDHN C[C@H]1C[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000278142866 550753962 /nfs/dbraw/zinc/75/39/62/550753962.db2.gz AGZQNWZPWNHCHW-RYUDHWBXSA-N 0 3 360.418 2.095 20 5 FEBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000278519056 550794521 /nfs/dbraw/zinc/79/45/21/550794521.db2.gz MQVNBIUIDCVVGH-AWEZNQCLSA-N 0 3 372.425 2.374 20 5 FEBDHN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279114388 550855536 /nfs/dbraw/zinc/85/55/36/550855536.db2.gz SWZITRSTBDWLOR-ZBFHGGJFSA-N 0 3 351.403 2.015 20 5 FEBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279831381 550933764 /nfs/dbraw/zinc/93/37/64/550933764.db2.gz RCIXVWLMEGPWOD-AWEZNQCLSA-N 0 3 363.414 2.193 20 5 FEBDHN COCC[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746344 551265928 /nfs/dbraw/zinc/26/59/28/551265928.db2.gz NLWFKIVPSBWRAQ-CJNGLKHVSA-N 0 3 356.444 2.163 20 5 FEBDHN COc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282965896 551290742 /nfs/dbraw/zinc/29/07/42/551290742.db2.gz YSCGHVIWLYOXFM-WMLDXEAASA-N 0 3 350.415 2.261 20 5 FEBDHN NC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000284048376 551474319 /nfs/dbraw/zinc/47/43/19/551474319.db2.gz JKDBXSGNHPEMMS-CQSZACIVSA-N 0 3 350.375 2.417 20 5 FEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359177 551743700 /nfs/dbraw/zinc/74/37/00/551743700.db2.gz QDPDKKPJYGPAQK-RHSMWYFYSA-N 0 3 367.471 2.026 20 5 FEBDHN COc1ccc(CNCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000285606130 551782075 /nfs/dbraw/zinc/78/20/75/551782075.db2.gz VNQSZWACCONPNG-UHFFFAOYSA-N 0 3 369.377 2.379 20 5 FEBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000286565346 551900498 /nfs/dbraw/zinc/90/04/98/551900498.db2.gz DOKICWRGPWQRDP-DZGCQCFKSA-N 0 3 353.444 2.151 20 5 FEBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787294 551925841 /nfs/dbraw/zinc/92/58/41/551925841.db2.gz RVSGOWALDSBYSW-GOEBONIOSA-N 0 3 367.471 2.026 20 5 FEBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000286981587 551947671 /nfs/dbraw/zinc/94/76/71/551947671.db2.gz ORUROBCPPNWTFJ-HNNXBMFYSA-N 0 3 351.790 2.123 20 5 FEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCCCN2C)CC1 ZINC000287505303 552013088 /nfs/dbraw/zinc/01/30/88/552013088.db2.gz URHTVVNYIQBNPE-KRWDZBQOSA-N 0 3 360.458 2.404 20 5 FEBDHN CCCN(CCN1CCCC1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000287621492 552026521 /nfs/dbraw/zinc/02/65/21/552026521.db2.gz ZEJSLJYTYJBYTI-UHFFFAOYSA-N 0 3 363.414 2.329 20 5 FEBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000500131405 561566711 /nfs/dbraw/zinc/56/67/11/561566711.db2.gz MPMRRCBVFZPYIV-UHFFFAOYSA-N 0 3 370.409 2.386 20 5 FEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000288864692 552227008 /nfs/dbraw/zinc/22/70/08/552227008.db2.gz LHQKZELLPZDGSY-SJORKVTESA-N 0 3 373.457 2.415 20 5 FEBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000500176529 561567302 /nfs/dbraw/zinc/56/73/02/561567302.db2.gz FRIIURODLJKDMT-PBHICJAKSA-N 0 3 374.445 2.090 20 5 FEBDHN O=[N+]([O-])c1cc(I)cc(CNCCCCO)c1 ZINC000289498249 552331250 /nfs/dbraw/zinc/33/12/50/552331250.db2.gz LRJNJVXZESDLEZ-UHFFFAOYSA-N 0 3 350.156 2.062 20 5 FEBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1C ZINC000292919171 552771241 /nfs/dbraw/zinc/77/12/41/552771241.db2.gz XVOFRDJIECURNK-KRWDZBQOSA-N 0 3 367.471 2.318 20 5 FEBDHN C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720353 552850165 /nfs/dbraw/zinc/85/01/65/552850165.db2.gz MLFSNMZVZPXOFE-GFCCVEGCSA-N 0 3 358.398 2.353 20 5 FEBDHN C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN(C2CCC2)C1 ZINC000293727733 552850831 /nfs/dbraw/zinc/85/08/31/552850831.db2.gz QBLPWOLJZSVZDK-GFCCVEGCSA-N 0 3 361.398 2.270 20 5 FEBDHN CN1CCC[C@@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000294130985 552884356 /nfs/dbraw/zinc/88/43/56/552884356.db2.gz MHVNCVBMAPFMKY-LJQANCHMSA-N 0 3 369.425 2.338 20 5 FEBDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778865 561605303 /nfs/dbraw/zinc/60/53/03/561605303.db2.gz WPEISYRFHCLSHM-IAGOWNOFSA-N 0 3 370.453 2.351 20 5 FEBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295357278 552993468 /nfs/dbraw/zinc/99/34/68/552993468.db2.gz VUUMBHZSZNTLTC-UHFFFAOYSA-N 0 3 352.410 2.356 20 5 FEBDHN Cc1cc(Cl)c(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295742003 553053131 /nfs/dbraw/zinc/05/31/31/553053131.db2.gz GJDUKFVLQQFSEN-UHFFFAOYSA-N 0 3 368.865 2.266 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146804 553112570 /nfs/dbraw/zinc/11/25/70/553112570.db2.gz JYOYDIXBCCTGBQ-JLZZUVOBSA-N 0 3 363.414 2.335 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297749283 553333987 /nfs/dbraw/zinc/33/39/87/553333987.db2.gz DPMZRJHERWUTMC-LLVKDONJSA-N 0 3 368.821 2.177 20 5 FEBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297861674 553349395 /nfs/dbraw/zinc/34/93/95/553349395.db2.gz IACQJTRUMCDOGD-HOCLYGCPSA-N 0 3 364.446 2.110 20 5 FEBDHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025666 553373083 /nfs/dbraw/zinc/37/30/83/553373083.db2.gz DVHRRTAMXQWYTQ-TZMCWYRMSA-N 0 3 362.430 2.078 20 5 FEBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298284395 553408222 /nfs/dbraw/zinc/40/82/22/553408222.db2.gz XHWNQKYKBAHUNL-AWEZNQCLSA-N 0 3 362.430 2.141 20 5 FEBDHN CCN1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000503452812 561641730 /nfs/dbraw/zinc/64/17/30/561641730.db2.gz IDUGWWWTAFKXAM-RHSMWYFYSA-N 0 3 369.487 2.272 20 5 FEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299235687 553534843 /nfs/dbraw/zinc/53/48/43/553534843.db2.gz JUMCBCXNFBENAD-LBPRGKRZSA-N 0 3 351.403 2.072 20 5 FEBDHN C[C@@H](NCCC(=O)Nc1sccc1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000299623446 553590584 /nfs/dbraw/zinc/59/05/84/553590584.db2.gz JOWAGTYKRSLKQG-SNVBAGLBSA-N 0 3 362.411 2.435 20 5 FEBDHN COCCCN1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301176261 553628463 /nfs/dbraw/zinc/62/84/63/553628463.db2.gz ZJOMLPOTLACVNX-UHFFFAOYSA-N 0 3 361.402 2.156 20 5 FEBDHN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301259088 553636911 /nfs/dbraw/zinc/63/69/11/553636911.db2.gz UPHYUHRJRWKIRN-CYBMUJFWSA-N 0 3 357.414 2.313 20 5 FEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277138 553638526 /nfs/dbraw/zinc/63/85/26/553638526.db2.gz ZEILLNJCAAPZDG-JHJVBQTASA-N 0 3 370.475 2.021 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332075836 554374611 /nfs/dbraw/zinc/37/46/11/554374611.db2.gz FYOSERRNAMHHPK-GJZGRUSLSA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1C ZINC000332099723 554380230 /nfs/dbraw/zinc/38/02/30/554380230.db2.gz YDKJFQYBODWYRA-CABCVRRESA-N 0 3 367.471 2.459 20 5 FEBDHN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332225118 554404320 /nfs/dbraw/zinc/40/43/20/554404320.db2.gz BOTOTGFWLHIZTD-KGLIPLIRSA-N 0 3 353.444 2.117 20 5 FEBDHN CCOC(=O)C1CCC(O)(CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332536423 554466514 /nfs/dbraw/zinc/46/65/14/554466514.db2.gz IUALRJFQJBORHX-UHFFFAOYSA-N 0 3 362.426 2.437 20 5 FEBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000510546092 561838262 /nfs/dbraw/zinc/83/82/62/561838262.db2.gz IDQXUIMXSFCGJL-LRDDRELGSA-N 0 3 357.414 2.302 20 5 FEBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000361581159 554925527 /nfs/dbraw/zinc/92/55/27/554925527.db2.gz HTEAACCBCOBVPE-INIZCTEOSA-N 0 3 369.425 2.481 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787821 554988432 /nfs/dbraw/zinc/98/84/32/554988432.db2.gz LCBLCUDWFQLBKC-DLBZAZTESA-N 0 3 374.441 2.132 20 5 FEBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424214 555102108 /nfs/dbraw/zinc/10/21/08/555102108.db2.gz PMQNMCSCHPMJJJ-MRRJBJDNSA-N 0 3 365.405 2.353 20 5 FEBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427814 555312117 /nfs/dbraw/zinc/31/21/17/555312117.db2.gz SAVGPPMHWONYPW-IVMMDQJWSA-N 0 3 365.405 2.353 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365265805 555527304 /nfs/dbraw/zinc/52/73/04/555527304.db2.gz JFFZQHCNFNYONQ-WRWLIDTKSA-N 0 3 372.421 2.220 20 5 FEBDHN CN1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000365772447 555664646 /nfs/dbraw/zinc/66/46/46/555664646.db2.gz AEIPNRLGYCECQG-ZUZCIYMTSA-N 0 3 355.797 2.482 20 5 FEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000366202323 555780517 /nfs/dbraw/zinc/78/05/17/555780517.db2.gz OBAOBGBGBMYUMG-CYBMUJFWSA-N 0 3 353.806 2.231 20 5 FEBDHN CN1CCN([C@H]2CCCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284683 556008357 /nfs/dbraw/zinc/00/83/57/556008357.db2.gz FLUQCPNYJQMJPX-INIZCTEOSA-N 0 3 350.438 2.336 20 5 FEBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000368016137 556195885 /nfs/dbraw/zinc/19/58/85/556195885.db2.gz BMVKLEZXADBVCB-UHFFFAOYSA-N 0 3 355.398 2.313 20 5 FEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000368235856 556255554 /nfs/dbraw/zinc/25/55/54/556255554.db2.gz QYUCPARWYKUBRR-DOTOQJQBSA-N 0 3 350.415 2.083 20 5 FEBDHN COCc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000515414292 562009684 /nfs/dbraw/zinc/00/96/84/562009684.db2.gz FSNJRIKAAUZUTN-MRXNPFEDSA-N 0 3 364.373 2.410 20 5 FEBDHN CN1CCN(C[C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000368683326 556384215 /nfs/dbraw/zinc/38/42/15/556384215.db2.gz DVBPNEPWILJCMK-OAHLLOKOSA-N 0 3 361.446 2.086 20 5 FEBDHN CN1CCC2(CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000369176798 556525938 /nfs/dbraw/zinc/52/59/38/556525938.db2.gz CZOGBSQUIXMPHV-UHFFFAOYSA-N 0 3 371.434 2.230 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352409 556847744 /nfs/dbraw/zinc/84/77/44/556847744.db2.gz YSPKKLVLEFDESM-CABCVRRESA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc([C@@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352409 556847746 /nfs/dbraw/zinc/84/77/46/556847746.db2.gz YSPKKLVLEFDESM-CABCVRRESA-N 0 3 360.414 2.246 20 5 FEBDHN Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417988 556867129 /nfs/dbraw/zinc/86/71/29/556867129.db2.gz DRRYQNOFGPFMEX-LSDHHAIUSA-N 0 3 358.373 2.191 20 5 FEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827260 556981136 /nfs/dbraw/zinc/98/11/36/556981136.db2.gz RIEQAXZKDWYYBR-TZMCWYRMSA-N 0 3 373.331 2.207 20 5 FEBDHN Cc1c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221583 557111414 /nfs/dbraw/zinc/11/14/14/557111414.db2.gz XUSSZZASIGHLFL-YOEHRIQHSA-N 0 3 360.458 2.001 20 5 FEBDHN Cc1cc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469456 557190742 /nfs/dbraw/zinc/19/07/42/557190742.db2.gz FMDMGNPGMAGDFT-OAHLLOKOSA-N 0 3 360.458 2.144 20 5 FEBDHN Cc1ccc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518104194 562104675 /nfs/dbraw/zinc/10/46/75/562104675.db2.gz YSBHQLVZAYIGCI-KBPBESRZSA-N 0 3 362.430 2.221 20 5 FEBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722783 557547456 /nfs/dbraw/zinc/54/74/56/557547456.db2.gz BQLKSQDQTHJLMA-NVXWUHKLSA-N 0 3 370.409 2.374 20 5 FEBDHN CN1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000372842252 557573440 /nfs/dbraw/zinc/57/34/40/557573440.db2.gz VWDNCDNHTGEVRW-BZNIZROVSA-N 0 3 358.427 2.804 20 5 FEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000520373986 562154761 /nfs/dbraw/zinc/15/47/61/562154761.db2.gz FRBWMKYDFWNCQK-UHFFFAOYSA-N 0 3 372.425 2.338 20 5 FEBDHN Cc1nn(C)c(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374266795 557855292 /nfs/dbraw/zinc/85/52/92/557855292.db2.gz ZSBUENJYBOANIG-LJQANCHMSA-N 0 3 371.441 2.279 20 5 FEBDHN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnn(CCN2CCCCC2)c1 ZINC000374514547 557893512 /nfs/dbraw/zinc/89/35/12/557893512.db2.gz PGZQUXFIBBZMGC-UHFFFAOYSA-N 0 3 373.413 2.295 20 5 FEBDHN COc1cccc([C@@H]2C[C@@H](C)CN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598583 557904693 /nfs/dbraw/zinc/90/46/93/557904693.db2.gz XUAAWFFYIUYUDQ-QBIMZIAESA-N 0 3 360.414 2.244 20 5 FEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)c1 ZINC000374639737 557910760 /nfs/dbraw/zinc/91/07/60/557910760.db2.gz VMLWNZUHVGWECU-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FEBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015804 557964410 /nfs/dbraw/zinc/96/44/10/557964410.db2.gz DRSFMHBTUPANFD-IAQYHMDHSA-N 0 3 352.822 2.213 20 5 FEBDHN COC(=O)c1ccccc1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389383 558019504 /nfs/dbraw/zinc/01/95/04/558019504.db2.gz GKGKHUZZZQLMRK-OAHLLOKOSA-N 0 3 358.398 2.458 20 5 FEBDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375513654 558040998 /nfs/dbraw/zinc/04/09/98/558040998.db2.gz VOODZSFFLDGBHW-NSHDSACASA-N 0 3 356.810 2.169 20 5 FEBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598425 558054832 /nfs/dbraw/zinc/05/48/32/558054832.db2.gz NGNDAQNEBNHWJF-NOLJZWGESA-N 0 3 360.414 2.042 20 5 FEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000376045627 558118879 /nfs/dbraw/zinc/11/88/79/558118879.db2.gz GGYNERKCTLITEG-UHFFFAOYSA-N 0 3 372.429 2.722 20 5 FEBDHN CCN1C(=O)N=NC1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000378133847 558488019 /nfs/dbraw/zinc/48/80/19/558488019.db2.gz AYKSXMVWSVGLRD-UHFFFAOYSA-N 0 3 361.402 2.170 20 5 FEBDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253324 558512440 /nfs/dbraw/zinc/51/24/40/558512440.db2.gz QJKBLYBBUWHAAM-KSZLIROESA-N 0 3 361.442 2.494 20 5 FEBDHN CCc1ccc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000378364628 558539781 /nfs/dbraw/zinc/53/97/81/558539781.db2.gz CRAYHDQJEMQRKX-OAHLLOKOSA-N 0 3 374.485 2.398 20 5 FEBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457529 558693699 /nfs/dbraw/zinc/69/36/99/558693699.db2.gz TZGUGXDBBPPDRW-HOCLYGCPSA-N 0 3 357.414 2.133 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000525103986 562240655 /nfs/dbraw/zinc/24/06/55/562240655.db2.gz VUJCBVWOPVXTBC-RYUDHWBXSA-N 0 3 351.403 2.215 20 5 FEBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000525385596 562247084 /nfs/dbraw/zinc/24/70/84/562247084.db2.gz CJSBUOTVBNKJHG-KGLIPLIRSA-N 0 3 355.460 2.397 20 5 FEBDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424713 558892709 /nfs/dbraw/zinc/89/27/09/558892709.db2.gz LLTMVTUZTDKJTL-UONOGXRCSA-N 0 3 364.446 2.347 20 5 FEBDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424706 558892850 /nfs/dbraw/zinc/89/28/50/558892850.db2.gz LLTMVTUZTDKJTL-KBPBESRZSA-N 0 3 364.446 2.347 20 5 FEBDHN NC(=O)[C@@]1(c2ccccc2)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411956130 558994555 /nfs/dbraw/zinc/99/45/55/558994555.db2.gz AWVSONFDDKPQKH-IBGZPJMESA-N 0 3 355.394 2.103 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@](C)(OC)C1CC1 ZINC000411964287 558996150 /nfs/dbraw/zinc/99/61/50/558996150.db2.gz DBEZMWCKTQGWPN-DIFFPNOSSA-N 0 3 351.403 2.335 20 5 FEBDHN CCOc1ccc(NC(=O)CN[C@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412026497 559003674 /nfs/dbraw/zinc/00/36/74/559003674.db2.gz SPXRJXXGGFCVOY-GFCCVEGCSA-N 0 3 351.403 2.479 20 5 FEBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1F ZINC000412361314 559030601 /nfs/dbraw/zinc/03/06/01/559030601.db2.gz KWFKZFUUFDQVFL-SFHVURJKSA-N 0 3 365.405 2.229 20 5 FEBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000412415674 559033978 /nfs/dbraw/zinc/03/39/78/559033978.db2.gz JURSZDTWHPHKFU-UHFFFAOYSA-N 0 3 364.333 2.027 20 5 FEBDHN CN1CCC(CNc2ccc([N+](=O)[O-])cc2Cl)(N2CCOCC2)CC1 ZINC000413482111 559111070 /nfs/dbraw/zinc/11/10/70/559111070.db2.gz OOYTWRYMZOMEJE-UHFFFAOYSA-N 0 3 368.865 2.457 20 5 FEBDHN NC(=O)C1CCN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000413575626 559117781 /nfs/dbraw/zinc/11/77/81/559117781.db2.gz GHUGMSODBUNXAG-UHFFFAOYSA-N 0 3 369.425 2.299 20 5 FEBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161379 559151204 /nfs/dbraw/zinc/15/12/04/559151204.db2.gz BTRQLXNDAQTSJA-GDLVEWKHSA-N 0 3 351.403 2.334 20 5 FEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H](OC)C1CC1 ZINC000414195538 559152467 /nfs/dbraw/zinc/15/24/67/559152467.db2.gz WTTOMIUEYKLDCA-XMZIXOGTSA-N 0 3 351.403 2.334 20 5 FEBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953362 559196947 /nfs/dbraw/zinc/19/69/47/559196947.db2.gz RLVJZLUJNQELKH-KCJUWKMLSA-N 0 3 374.344 2.431 20 5 FEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416412180 559311082 /nfs/dbraw/zinc/31/10/82/559311082.db2.gz MCQPGUAEVQBCGS-CQSZACIVSA-N 0 3 355.460 2.316 20 5 FEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000417706809 559373438 /nfs/dbraw/zinc/37/34/38/559373438.db2.gz AIBMFDUSNOJMNB-CQSZACIVSA-N 0 3 356.373 2.214 20 5 FEBDHN Cc1ccc(NCCCNC(=O)N[C@H]2CNCCC2(F)F)c([N+](=O)[O-])c1 ZINC000417724876 559374102 /nfs/dbraw/zinc/37/41/02/559374102.db2.gz ZNBDNEGYZGNRCM-AWEZNQCLSA-N 0 3 371.388 2.002 20 5 FEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OC2CCC2)CC1 ZINC000419294238 559435713 /nfs/dbraw/zinc/43/57/13/559435713.db2.gz BABFVPKNHGRTHA-AWEZNQCLSA-N 0 3 350.415 2.368 20 5 FEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420007316 559468714 /nfs/dbraw/zinc/46/87/14/559468714.db2.gz CHPNTOWINQGLIF-INIZCTEOSA-N 0 3 355.460 2.139 20 5 FEBDHN CN(C[C@@H]1CCCN1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000421703085 559549806 /nfs/dbraw/zinc/54/98/06/559549806.db2.gz LLRZXSXYIJQALW-INIZCTEOSA-N 0 3 360.458 2.364 20 5 FEBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000425050714 559685177 /nfs/dbraw/zinc/68/51/77/559685177.db2.gz RSSFFCMMFWVFMU-SWLSCSKDSA-N 0 3 363.414 2.168 20 5 FEBDHN O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)nn21 ZINC000425277125 559694545 /nfs/dbraw/zinc/69/45/45/559694545.db2.gz QTMKPJAQZDVCGN-JKSUJKDBSA-N 0 3 364.409 2.348 20 5 FEBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)n1 ZINC000425615705 559711582 /nfs/dbraw/zinc/71/15/82/559711582.db2.gz ZVJNQCKORJRDMY-AWEZNQCLSA-N 0 3 357.414 2.334 20 5 FEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000426850789 559742995 /nfs/dbraw/zinc/74/29/95/559742995.db2.gz KFRPGXOMEPFJQY-UHFFFAOYSA-N 0 3 373.409 2.474 20 5 FEBDHN CNc1c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428543314 559777652 /nfs/dbraw/zinc/77/76/52/559777652.db2.gz WEULAQKTHBGKDK-HNNXBMFYSA-N 0 3 370.409 2.455 20 5 FEBDHN CCN1CCN([C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432339342 559856791 /nfs/dbraw/zinc/85/67/91/559856791.db2.gz YXZVXTIRQPGKCD-HNNXBMFYSA-N 0 3 355.442 2.359 20 5 FEBDHN CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077816 559871185 /nfs/dbraw/zinc/87/11/85/559871185.db2.gz SULZRNGTHSZXGP-HUUCEWRRSA-N 0 3 358.402 2.418 20 5 FEBDHN COCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193610 559873139 /nfs/dbraw/zinc/87/31/39/559873139.db2.gz RKZNZSUSUMBSCV-JKSUJKDBSA-N 0 3 370.471 2.179 20 5 FEBDHN CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440715475 560017071 /nfs/dbraw/zinc/01/70/71/560017071.db2.gz GZCKIULGAUAFIW-CQSZACIVSA-N 0 3 364.446 2.128 20 5 FEBDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444709670 560118678 /nfs/dbraw/zinc/11/86/78/560118678.db2.gz TUELMSNAXQKFAI-LBPRGKRZSA-N 0 3 374.235 2.292 20 5 FEBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446110393 560140061 /nfs/dbraw/zinc/14/00/61/560140061.db2.gz ZZWMTLDKNLLONX-NSHDSACASA-N 0 3 370.247 2.452 20 5 FEBDHN CN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446188021 560141411 /nfs/dbraw/zinc/14/14/11/560141411.db2.gz TWRNHQWIJQJNIC-UHFFFAOYSA-N 0 3 370.247 2.454 20 5 FEBDHN O=C1NCCc2ccc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593582 560164969 /nfs/dbraw/zinc/16/49/69/560164969.db2.gz SZOHVNGPKIBCIP-IRXDYDNUSA-N 0 3 369.425 2.351 20 5 FEBDHN CN(C)CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000447649750 560165854 /nfs/dbraw/zinc/16/58/54/560165854.db2.gz KDMVNKQMHZWCJF-UHFFFAOYSA-N 0 3 359.473 2.033 20 5 FEBDHN O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448676994 560193718 /nfs/dbraw/zinc/19/37/18/560193718.db2.gz KFHZPOILJFVBBZ-UHFFFAOYSA-N 0 3 357.414 2.386 20 5 FEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449931059 560245754 /nfs/dbraw/zinc/24/57/54/560245754.db2.gz XWALEBNSBCUYBF-HIFRSBDPSA-N 0 3 357.414 2.335 20 5 FEBDHN O=[N+]([O-])c1ccc(-c2csc(NC[C@@H](O)CN3CCCCC3)n2)cc1 ZINC000450258562 560256094 /nfs/dbraw/zinc/25/60/94/560256094.db2.gz REXIQOTZHIUHDH-OAHLLOKOSA-N 0 3 362.455 2.977 20 5 FEBDHN C[C@H]1CN(C2CC2)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451093171 560286593 /nfs/dbraw/zinc/28/65/93/560286593.db2.gz NFQXIBXNBKUBRZ-KBXCAEBGSA-N 0 3 358.442 2.116 20 5 FEBDHN C[C@H]1CN(C2CC2)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451093175 560286608 /nfs/dbraw/zinc/28/66/08/560286608.db2.gz NFQXIBXNBKUBRZ-KSSFIOAISA-N 0 3 358.442 2.116 20 5 FEBDHN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414361 560305603 /nfs/dbraw/zinc/30/56/03/560305603.db2.gz IFHCCORKGVCBRO-KBAYOESNSA-N 0 3 359.426 2.109 20 5 FEBDHN CS(=O)(=O)N1CC[C@@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549676 560314198 /nfs/dbraw/zinc/31/41/98/560314198.db2.gz QBTIQQSGQLOMRH-HOCLYGCPSA-N 0 3 367.471 2.056 20 5 FEBDHN CC(C)[C@@H](CO)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599698 560316694 /nfs/dbraw/zinc/31/66/94/560316694.db2.gz QTKJNGHNNNVTIQ-SJLPKXTDSA-N 0 3 351.447 2.436 20 5 FEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451720522 560324470 /nfs/dbraw/zinc/32/44/70/560324470.db2.gz NDWASWFRKWEFJO-HNNXBMFYSA-N 0 3 357.414 2.385 20 5 FEBDHN COc1ccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000457929016 560594581 /nfs/dbraw/zinc/59/45/81/560594581.db2.gz MZOPOHZHEVXOON-CYBMUJFWSA-N 0 3 362.430 2.229 20 5 FEBDHN C[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458728035 560644115 /nfs/dbraw/zinc/64/41/15/560644115.db2.gz QJELZWLFSRVBTH-CABCVRRESA-N 0 3 364.446 2.456 20 5 FEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](n2cccn2)C1 ZINC000463451835 560815210 /nfs/dbraw/zinc/81/52/10/560815210.db2.gz QOFYOPCRPHSCLB-AWEZNQCLSA-N 0 3 357.370 2.036 20 5 FEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000469932575 560969231 /nfs/dbraw/zinc/96/92/31/560969231.db2.gz KUSHPVQZYKHBRQ-QGZVFWFLSA-N 0 3 361.442 2.241 20 5 FEBDHN COC(=O)COc1ccc(CNC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000473997904 561063232 /nfs/dbraw/zinc/06/32/32/561063232.db2.gz YEWKXPCAZPLSKE-ZDUSSCGKSA-N 0 3 352.387 2.194 20 5 FEBDHN COC(=O)COc1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000474345751 561071812 /nfs/dbraw/zinc/07/18/12/561071812.db2.gz ABQMBCYOZOEGSQ-CYBMUJFWSA-N 0 3 360.370 2.037 20 5 FEBDHN COC(=O)COc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722721 561103326 /nfs/dbraw/zinc/10/33/26/561103326.db2.gz STDDJWULRFRNRM-LSDHHAIUSA-N 0 3 364.398 2.005 20 5 FEBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000476654854 561125298 /nfs/dbraw/zinc/12/52/98/561125298.db2.gz GAUVNZOLBMZHMR-UHFFFAOYSA-N 0 3 357.414 2.065 20 5 FEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCCN1CCN(C)CC1 ZINC000531014710 562432052 /nfs/dbraw/zinc/43/20/52/562432052.db2.gz GQCCIOKDWBXHBS-UHFFFAOYSA-N 0 3 363.462 2.361 20 5 FEBDHN CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534827184 562543336 /nfs/dbraw/zinc/54/33/36/562543336.db2.gz DERVLOIBOHXYSW-ZIAGYGMSSA-N 0 3 355.485 2.191 20 5 FEBDHN CN(CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000546063946 562633257 /nfs/dbraw/zinc/63/32/57/562633257.db2.gz UYHKKJOTXNSYKU-UHFFFAOYSA-N 0 3 355.460 2.279 20 5 FEBDHN CCN1[C@H](C)CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874819 568010002 /nfs/dbraw/zinc/01/00/02/568010002.db2.gz SDQIFQGTDCLQBQ-OKILXGFUSA-N 0 3 364.446 2.347 20 5 FEBDHN CC(C)N1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC000568577185 568058613 /nfs/dbraw/zinc/05/86/13/568058613.db2.gz ZTBNFZULYFRILE-BBRMVZONSA-N 0 3 362.430 2.228 20 5 FEBDHN COC(=O)c1cnc(NCC2(SC)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000568702999 568129603 /nfs/dbraw/zinc/12/96/03/568129603.db2.gz GZQWZCTXFBXISV-UHFFFAOYSA-N 0 3 354.432 2.016 20 5 FEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000604566990 568317414 /nfs/dbraw/zinc/31/74/14/568317414.db2.gz PIKPCTQLTSRDFF-UHFFFAOYSA-N 0 3 370.409 2.447 20 5 FEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609489641 568507341 /nfs/dbraw/zinc/50/73/41/568507341.db2.gz XJGKJQHRFIEIHJ-MRXNPFEDSA-N 0 3 357.414 2.385 20 5 FEBDHN O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738375328 598679262 /nfs/dbraw/zinc/67/92/62/598679262.db2.gz YRYRRRTYVFNYIG-UHFFFAOYSA-N 0 3 360.422 2.238 20 5 FEBDHN O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738375328 598679263 /nfs/dbraw/zinc/67/92/63/598679263.db2.gz YRYRRRTYVFNYIG-UHFFFAOYSA-N 0 3 360.422 2.238 20 5 FEBDHN O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644274 599478468 /nfs/dbraw/zinc/47/84/68/599478468.db2.gz JFSDDRMTPHWBEH-UHFFFAOYSA-N 0 3 368.401 2.221 20 5 FEBDHN O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644274 599478471 /nfs/dbraw/zinc/47/84/71/599478471.db2.gz JFSDDRMTPHWBEH-UHFFFAOYSA-N 0 3 368.401 2.221 20 5 FEBDHN C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668335 599590038 /nfs/dbraw/zinc/59/00/38/599590038.db2.gz RRSRBDHPYDHNRV-WDEREUQCSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668335 599590041 /nfs/dbraw/zinc/59/00/41/599590041.db2.gz RRSRBDHPYDHNRV-WDEREUQCSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668335 599590043 /nfs/dbraw/zinc/59/00/43/599590043.db2.gz RRSRBDHPYDHNRV-WDEREUQCSA-N 0 3 368.401 2.218 20 5 FEBDHN C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668335 599590047 /nfs/dbraw/zinc/59/00/47/599590047.db2.gz RRSRBDHPYDHNRV-WDEREUQCSA-N 0 3 368.401 2.218 20 5 FEBDHN CC(COC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)[N+](=O)[O-] ZINC000813115176 674721603 /nfs/dbraw/zinc/72/16/03/674721603.db2.gz LZYVQQUVQJXASW-GHMZBOCLSA-N 0 3 350.400 2.116 20 5 FEBDHN CO[C@@H]1[C@@H](C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452250 675122387 /nfs/dbraw/zinc/12/23/87/675122387.db2.gz ZRPDHFHQARHJOX-TUKIKUTGSA-N 0 3 356.444 2.018 20 5 FEBDHN C[C@H](CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000579946888 671772104 /nfs/dbraw/zinc/77/21/04/671772104.db2.gz DPEQWIDHQSFISU-SECBINFHSA-N 0 3 369.365 2.048 20 5 FEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000129572052 672064313 /nfs/dbraw/zinc/06/43/13/672064313.db2.gz GLVBIDIEXDZEDA-NSHDSACASA-N 0 3 361.851 2.271 20 5 FEBDHN CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000583810160 672128274 /nfs/dbraw/zinc/12/82/74/672128274.db2.gz YVDZBUHXPLTEDD-KRWDZBQOSA-N 0 3 367.471 2.264 20 5 FEBDHN COCCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593100962 672876144 /nfs/dbraw/zinc/87/61/44/672876144.db2.gz MGNCTHVEMKOQMX-UHFFFAOYSA-N 0 3 351.447 2.406 20 5 FEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594043868 673024968 /nfs/dbraw/zinc/02/49/68/673024968.db2.gz PBBFPQPGPVEEQK-DZGCQCFKSA-N 0 3 351.403 2.479 20 5 FEBDHN COC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595615955 673273796 /nfs/dbraw/zinc/27/37/96/673273796.db2.gz OGJXQBAVISJMPS-AWEZNQCLSA-N 0 3 371.821 2.218 20 5 FEBDHN Nc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc1[N+](=O)[O-] ZINC000596224785 673369430 /nfs/dbraw/zinc/36/94/30/673369430.db2.gz ZPQHSYPJBGZPLN-UHFFFAOYSA-N 0 3 359.352 2.789 20 5 FEBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091661 673446123 /nfs/dbraw/zinc/44/61/23/673446123.db2.gz BOYHRRNXPIVKIJ-NSHDSACASA-N 0 3 371.825 2.063 20 5 FEBDHN CC[C@@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536588 673579971 /nfs/dbraw/zinc/57/99/71/673579971.db2.gz TVWUSWBRSUGVEX-GXTWGEPZSA-N 0 3 367.471 2.436 20 5 FEBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545864229 673778536 /nfs/dbraw/zinc/77/85/36/673778536.db2.gz XNFLHJRDHHZNFG-QGZVFWFLSA-N 0 3 367.471 2.139 20 5 FEBDHN CCOc1cc(C(=O)NCCN2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000744344802 673793944 /nfs/dbraw/zinc/79/39/44/673793944.db2.gz FWTGLKQAAGZHBT-LBPRGKRZSA-N 0 3 351.403 2.216 20 5 FEBDHN Cc1[nH]nc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000600825995 673802051 /nfs/dbraw/zinc/80/20/51/673802051.db2.gz KYEBGMVFUXMHID-UHFFFAOYSA-N 0 3 363.340 2.115 20 5 FEBDHN Cn1nnc2c1CC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602705203 673910196 /nfs/dbraw/zinc/91/01/96/673910196.db2.gz MHDXJAFBENNBHQ-ZETCQYMHSA-N 0 3 372.248 2.194 20 5 FEBDHN COc1cccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000566642285 675231237 /nfs/dbraw/zinc/23/12/37/675231237.db2.gz QAKMIWDKYDNHLC-UHFFFAOYSA-N 0 3 364.423 2.209 20 5 FEBDHN C[C@H](NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000819332509 675282101 /nfs/dbraw/zinc/28/21/01/675282101.db2.gz DHHAPFGNGIFVDS-SWLSCSKDSA-N 0 3 353.419 2.473 20 5 FEBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825644195 675662172 /nfs/dbraw/zinc/66/21/72/675662172.db2.gz XRDAGTDIALJUQE-RYUDHWBXSA-N 0 3 353.806 2.150 20 5 FEBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201068 680434716 /nfs/dbraw/zinc/43/47/16/680434716.db2.gz BMDFYCAUWDRSCY-GFCCVEGCSA-N 0 3 356.810 2.217 20 5 FEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836699348 680501727 /nfs/dbraw/zinc/50/17/27/680501727.db2.gz WTRZKZFDJWBTIZ-ZDUSSCGKSA-N 0 3 368.865 2.312 20 5 FEBDHN O=C(NC1CCN(CCc2c(F)cccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789014 680508229 /nfs/dbraw/zinc/50/82/29/680508229.db2.gz QTQXAIDZHQJUSC-CZUORRHYSA-N 0 3 369.824 2.267 20 5 FEBDHN COc1cccc(Cl)c1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789803 680508261 /nfs/dbraw/zinc/50/82/61/680508261.db2.gz XACBBBDYXUATIO-IUODEOHRSA-N 0 3 367.833 2.094 20 5 FEBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC001005379253 680573527 /nfs/dbraw/zinc/57/35/27/680573527.db2.gz RDJBRQFUWIUUMO-HZPDHXFCSA-N 0 3 353.369 2.053 20 5 FEBDHN CC1(C)CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000769706749 680992108 /nfs/dbraw/zinc/99/21/08/680992108.db2.gz DRKUBYNMSIMXIT-UHFFFAOYSA-N 0 3 353.394 2.351 20 5 FEBDHN CS[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000935112654 681690075 /nfs/dbraw/zinc/69/00/75/681690075.db2.gz GDTCOQDAGIWRAE-LSDHHAIUSA-N 0 3 355.435 2.171 20 5 FEBDHN CCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821668 682148358 /nfs/dbraw/zinc/14/83/58/682148358.db2.gz WVFJGLLWNXFNJQ-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN CCC[N@H+]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821668 682148359 /nfs/dbraw/zinc/14/83/59/682148359.db2.gz WVFJGLLWNXFNJQ-VIFPVBQESA-N 0 3 365.814 2.150 20 5 FEBDHN O=[N+]([O-])c1c(NC2CCN(C[C@@H]3CCCO3)CC2)nc2sccn21 ZINC000917064091 685529390 /nfs/dbraw/zinc/52/93/90/685529390.db2.gz IRGVVWUGORWCLE-LBPRGKRZSA-N 0 3 351.432 2.359 20 5 FEBDHN CCC(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000917652033 685533474 /nfs/dbraw/zinc/53/34/74/685533474.db2.gz LEGOXUGKWMTHSV-AWEZNQCLSA-N 0 3 361.439 2.379 20 5 FEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791211396 682728656 /nfs/dbraw/zinc/72/86/56/682728656.db2.gz OISXIMJBJNJPQA-GFCCVEGCSA-N 0 3 352.410 2.404 20 5 FEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575432 682980936 /nfs/dbraw/zinc/98/09/36/682980936.db2.gz BJZWIVGSWBZWEO-NDMJEZRESA-N 0 3 368.821 2.080 20 5 FEBDHN CC1(C)CC2(CC(NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000926150005 683083071 /nfs/dbraw/zinc/08/30/71/683083071.db2.gz DTSQVYDYFVJDNY-UHFFFAOYSA-N 0 3 368.455 2.306 20 5 FEBDHN COc1ccc(CSCC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451745 683453751 /nfs/dbraw/zinc/45/37/51/683453751.db2.gz GNQUZPOTAVYHEN-WCQYABFASA-N 0 3 353.444 2.045 20 5 FEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ncc1Br)C1CCN(C)CC1 ZINC000861892302 683494391 /nfs/dbraw/zinc/49/43/91/683494391.db2.gz FJSOUBHTIKELOG-UHFFFAOYSA-N 0 3 371.235 2.309 20 5 FEBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000930158919 683687166 /nfs/dbraw/zinc/68/71/66/683687166.db2.gz ARJUQYNBMBFDFL-CABCVRRESA-N 0 3 368.821 2.311 20 5 FEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309291 684244022 /nfs/dbraw/zinc/24/40/22/684244022.db2.gz RDRIZMKOVBQKIE-KWQFWETISA-N 0 3 365.814 2.100 20 5 FEBDHN COCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000870455107 684722587 /nfs/dbraw/zinc/72/25/87/684722587.db2.gz UPYUJYFEXOHNCO-IAQYHMDHSA-N 0 3 351.334 2.232 20 5 FEBDHN CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000879601072 686867345 /nfs/dbraw/zinc/86/73/45/686867345.db2.gz KBQMATOAEQQXCD-OAHLLOKOSA-N 0 3 354.838 2.459 20 5 FEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)N1CCCC1 ZINC000897830372 690086843 /nfs/dbraw/zinc/08/68/43/690086843.db2.gz UCCWAJSXEWAJJH-KAMYIIQDSA-N 0 3 353.444 2.013 20 5 FEBDHN