smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001212105190 742081761 /nfs/dbraw/zinc/08/17/61/742081761.db2.gz LKKYXDJFAXAWGL-JTQLQIEISA-N -1 3 324.362 1.974 20 5 DDBDHM CN(CCCNC(=O)C1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095466869 749925179 /nfs/dbraw/zinc/92/51/79/749925179.db2.gz DCLUHTGTTYIBJG-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCCC1 ZINC001110048490 764333583 /nfs/dbraw/zinc/33/35/83/764333583.db2.gz GEDFFSPYCGXHRB-UHFFFAOYSA-N -1 3 320.349 1.946 20 5 DDBDHM O=C(N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC1 ZINC001068433800 767299864 /nfs/dbraw/zinc/29/98/64/767299864.db2.gz AMJWMKNRQUOULZ-HOMQSWHASA-N -1 3 320.349 1.802 20 5 DDBDHM O=C(Cc1ccoc1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093566894 774837086 /nfs/dbraw/zinc/83/70/86/774837086.db2.gz JQKRHWLTFNCFOC-UHFFFAOYSA-N -1 3 306.278 1.059 20 5 DDBDHM Cc1coc(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093578717 774853077 /nfs/dbraw/zinc/85/30/77/774853077.db2.gz KTLSRYUXBLQVOB-UHFFFAOYSA-N -1 3 320.305 1.747 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001101473553 777157868 /nfs/dbraw/zinc/15/78/68/777157868.db2.gz CJGDUYPAQOEHMC-UHFFFAOYSA-N -1 3 300.290 1.314 20 5 DDBDHM CCC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC001112234313 779659439 /nfs/dbraw/zinc/65/94/39/779659439.db2.gz PRUUWDDOGKSFIJ-UHFFFAOYSA-N -1 3 324.337 1.183 20 5 DDBDHM CC[C@](C)(C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001322077671 867969570 /nfs/dbraw/zinc/96/95/70/867969570.db2.gz NGKOQQMSVNIREL-CQSZACIVSA-N -1 3 312.322 1.900 20 5 DDBDHM COC(=O)[C@]12CCC[C@H]1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001164020524 868886995 /nfs/dbraw/zinc/88/69/95/868886995.db2.gz AWZAJQQDVBIIJB-XPTSAGLGSA-N -1 3 307.306 1.475 20 5 DDBDHM O=c1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc[n-]1 ZINC001164303810 869105897 /nfs/dbraw/zinc/10/58/97/869105897.db2.gz XCUSGRCGXUQNET-VIFPVBQESA-N -1 3 302.294 1.176 20 5 DDBDHM Cc1nocc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC001309087643 871551509 /nfs/dbraw/zinc/55/15/09/871551509.db2.gz QLKUWTRODPRPML-UHFFFAOYSA-N -1 3 311.319 1.412 20 5 DDBDHM Cc1ccncc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309662944 871585653 /nfs/dbraw/zinc/58/56/53/871585653.db2.gz LAIQXESRSKPEPV-UHFFFAOYSA-N -1 3 322.346 1.214 20 5 DDBDHM COC[C@H](C)OC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690200 883134333 /nfs/dbraw/zinc/13/43/33/883134333.db2.gz HEFWGROIJOVYJU-DTWKUNHWSA-N -1 3 310.310 1.685 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCOCC2)c(Cl)c1 ZINC000079280318 185162953 /nfs/dbraw/zinc/16/29/53/185162953.db2.gz OPSIFINQWSEQRV-UHFFFAOYSA-N -1 3 320.754 1.706 20 5 DDBDHM Cc1noc([N-]C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000056911670 539032779 /nfs/dbraw/zinc/03/27/79/539032779.db2.gz KZBRTLNOJYYLBG-UHFFFAOYSA-N -1 3 314.261 1.724 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000451757624 231184286 /nfs/dbraw/zinc/18/42/86/231184286.db2.gz BJAMMZXARKDNEQ-SNVBAGLBSA-N -1 3 316.379 1.731 20 5 DDBDHM CC[C@@]1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000616460772 362710107 /nfs/dbraw/zinc/71/01/07/362710107.db2.gz XXCUEVUUICMPEG-CYBMUJFWSA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000343507131 282683994 /nfs/dbraw/zinc/68/39/94/282683994.db2.gz OFYSAWHSKGUDOK-VIFPVBQESA-N -1 3 320.392 1.670 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000189988368 186259724 /nfs/dbraw/zinc/25/97/24/186259724.db2.gz RUHQNYOZDDQTSA-SNVBAGLBSA-N -1 3 302.352 1.261 20 5 DDBDHM Cc1nc(C)c(CC(=O)NCc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000053868436 352670374 /nfs/dbraw/zinc/67/03/74/352670374.db2.gz YLYJJNWXKPWLRN-UHFFFAOYSA-N -1 3 316.317 1.154 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc(C2CC2)no1 ZINC000056121247 352760635 /nfs/dbraw/zinc/76/06/35/352760635.db2.gz KYOZLIYTSGMYJD-UHFFFAOYSA-N -1 3 324.318 1.334 20 5 DDBDHM COC(=O)c1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1[O-] ZINC000066635462 353009861 /nfs/dbraw/zinc/00/98/61/353009861.db2.gz DEKXMVOVNDIPPX-UHFFFAOYSA-N -1 3 320.261 1.371 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000093663847 353903722 /nfs/dbraw/zinc/90/37/22/353903722.db2.gz KQIWDYHYVODMQI-ZDUSSCGKSA-N -1 3 321.377 1.455 20 5 DDBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000147091176 354163569 /nfs/dbraw/zinc/16/35/69/354163569.db2.gz KASAUKYOAWVNLX-VIFPVBQESA-N -1 3 318.351 1.307 20 5 DDBDHM COc1cc(CN[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000152934337 354195424 /nfs/dbraw/zinc/19/54/24/354195424.db2.gz CSCHJOZRMPERCD-LLVKDONJSA-N -1 3 309.322 1.019 20 5 DDBDHM CC[C@@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000319913350 354524137 /nfs/dbraw/zinc/52/41/37/354524137.db2.gz IWEKBXFAPAJXPJ-LLVKDONJSA-N -1 3 307.350 1.857 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000592106667 355500896 /nfs/dbraw/zinc/50/08/96/355500896.db2.gz LBIAELZBCKACSY-BDAKNGLRSA-N -1 3 316.335 1.059 20 5 DDBDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593527142 355915193 /nfs/dbraw/zinc/91/51/93/355915193.db2.gz QRGUOIXGUYFESA-UHFFFAOYSA-N -1 3 317.367 1.331 20 5 DDBDHM CSCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546680 355920629 /nfs/dbraw/zinc/92/06/29/355920629.db2.gz JJADXPAZTKSYSG-UHFFFAOYSA-N -1 3 305.381 1.411 20 5 DDBDHM O=C([O-])[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000594734079 356300973 /nfs/dbraw/zinc/30/09/73/356300973.db2.gz NYBYKJBVAAETAM-MCIONIFRSA-N -1 3 322.365 1.757 20 5 DDBDHM O=c1[n-]ccc(N2CCC(N3CCCCC3=O)CC2)c1[N+](=O)[O-] ZINC000596162796 356797589 /nfs/dbraw/zinc/79/75/89/356797589.db2.gz PDMAIUCBAHWYMQ-UHFFFAOYSA-N -1 3 320.349 1.677 20 5 DDBDHM O=c1[n-]ccc(NCCc2cn3c(n2)SCC3)c1[N+](=O)[O-] ZINC000596195769 356809347 /nfs/dbraw/zinc/80/93/47/356809347.db2.gz NUGOHFVLYSPKQS-UHFFFAOYSA-N -1 3 307.335 1.652 20 5 DDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000596215917 356818535 /nfs/dbraw/zinc/81/85/35/356818535.db2.gz ANEZSRPBBAURPH-AWEZNQCLSA-N -1 3 309.322 1.470 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C)nnc2N(C)C)n1 ZINC000598856824 357746089 /nfs/dbraw/zinc/74/60/89/357746089.db2.gz SFNDCVAELCHOQP-UHFFFAOYSA-N -1 3 319.325 1.228 20 5 DDBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599460703 357946352 /nfs/dbraw/zinc/94/63/52/357946352.db2.gz PDCSEXJISZJTDP-APOZVJGGSA-N -1 3 315.351 1.080 20 5 DDBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985605 358096874 /nfs/dbraw/zinc/09/68/74/358096874.db2.gz HPWNQLMOFIGSFP-UHFFFAOYSA-N -1 3 308.338 1.252 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)CN(C)C)c([N+](=O)[O-])s1 ZINC000601434671 358551587 /nfs/dbraw/zinc/55/15/87/358551587.db2.gz JPHDTUYRWRWJFT-UHFFFAOYSA-N -1 3 321.424 1.583 20 5 DDBDHM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000601961952 358755271 /nfs/dbraw/zinc/75/52/71/358755271.db2.gz AFMVIZHIWYAJSY-OAHLLOKOSA-N -1 3 308.334 1.826 20 5 DDBDHM COC[C@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000565600420 304079353 /nfs/dbraw/zinc/07/93/53/304079353.db2.gz NQCLNAYUKZZVOM-HNNXBMFYSA-N -1 3 324.333 1.527 20 5 DDBDHM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000358950343 299289709 /nfs/dbraw/zinc/28/97/09/299289709.db2.gz INZJOBKUGUNFJO-UHFFFAOYSA-N -1 3 311.323 1.385 20 5 DDBDHM CC1CCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186935684 200034113 /nfs/dbraw/zinc/03/41/13/200034113.db2.gz HRSHGXGMOUMMLC-UHFFFAOYSA-N -1 3 308.338 1.157 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)C1CC1 ZINC000604399838 359747414 /nfs/dbraw/zinc/74/74/14/359747414.db2.gz MTXSYBFQWWOXOU-SECBINFHSA-N -1 3 314.363 1.928 20 5 DDBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000610266654 360404092 /nfs/dbraw/zinc/40/40/92/360404092.db2.gz NAZOXROCUDRHHJ-LLVKDONJSA-N -1 3 320.342 1.683 20 5 DDBDHM COc1ccc([O-])c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000340320702 251005174 /nfs/dbraw/zinc/00/51/74/251005174.db2.gz ZZOHBRTWIWNFKV-UHFFFAOYSA-N -1 3 306.278 1.603 20 5 DDBDHM O=C([O-])[C@@H]1CSCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000579614345 422803881 /nfs/dbraw/zinc/80/38/81/422803881.db2.gz ABMHQMIMQJOURH-LBPRGKRZSA-N -1 3 312.347 1.476 20 5 DDBDHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000270322853 208393454 /nfs/dbraw/zinc/39/34/54/208393454.db2.gz IYTKGGHBJWCOTF-SSDOTTSWSA-N -1 3 312.307 1.255 20 5 DDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000352516268 285107758 /nfs/dbraw/zinc/10/77/58/285107758.db2.gz KQPYUZRYIQJFSN-UHFFFAOYSA-N -1 3 303.274 1.391 20 5 DDBDHM Nc1c(C(=O)NCc2ncccc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000352518739 285109555 /nfs/dbraw/zinc/10/95/55/285109555.db2.gz ZCCOGGMGENJDNY-UHFFFAOYSA-N -1 3 306.253 1.347 20 5 DDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCc2cccc([O-])c21 ZINC000155624026 197072726 /nfs/dbraw/zinc/07/27/26/197072726.db2.gz NBZRJDOLBQFIMV-UHFFFAOYSA-N -1 3 316.317 1.866 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c([N+](=O)[O-])c1 ZINC000428375012 292181908 /nfs/dbraw/zinc/18/19/08/292181908.db2.gz ONOPOOVEIDGNEC-MRVPVSSYSA-N -1 3 324.305 1.198 20 5 DDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000068961982 406675123 /nfs/dbraw/zinc/67/51/23/406675123.db2.gz KFVNKAMVHPXPLS-UHFFFAOYSA-N -1 3 324.300 1.705 20 5 DDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000068961982 406675124 /nfs/dbraw/zinc/67/51/24/406675124.db2.gz KFVNKAMVHPXPLS-UHFFFAOYSA-N -1 3 324.300 1.705 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000087040561 407115577 /nfs/dbraw/zinc/11/55/77/407115577.db2.gz DGCHCODZYSLUFS-GFCCVEGCSA-N -1 3 318.351 1.043 20 5 DDBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000281164450 408873617 /nfs/dbraw/zinc/87/36/17/408873617.db2.gz LWGBGSDVGGCGKM-UHFFFAOYSA-N -1 3 324.362 1.722 20 5 DDBDHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000277214938 408906565 /nfs/dbraw/zinc/90/65/65/408906565.db2.gz HLAWIAVZZQRFCP-CQSZACIVSA-N -1 3 307.350 1.624 20 5 DDBDHM COC(=O)Cn1ncc([N-]c2nc(C)ccc2[N+](=O)[O-])c1C ZINC000193019217 163244913 /nfs/dbraw/zinc/24/49/13/163244913.db2.gz FVAVIAMNOPXRJA-UHFFFAOYSA-N -1 3 305.294 1.720 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C ZINC000193917172 163271781 /nfs/dbraw/zinc/27/17/81/163271781.db2.gz NROQJKXYLMWMHL-UHFFFAOYSA-N -1 3 302.352 1.928 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCCC1 ZINC000282099439 408991315 /nfs/dbraw/zinc/99/13/15/408991315.db2.gz VZBCOYDVDNRWKK-UHFFFAOYSA-N -1 3 315.351 1.746 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccnn2C)cc1C ZINC000299073955 410509648 /nfs/dbraw/zinc/50/96/48/410509648.db2.gz XFBRQXFSYLUVAJ-UHFFFAOYSA-N -1 3 324.362 1.424 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000352343718 410635760 /nfs/dbraw/zinc/63/57/60/410635760.db2.gz AFMPTDBQXRKHHS-HTRCEHHLSA-N -1 3 322.433 1.995 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000352947830 410693581 /nfs/dbraw/zinc/69/35/81/410693581.db2.gz DFJSWKRIATUREV-VIFPVBQESA-N -1 3 311.319 1.763 20 5 DDBDHM C[C@@H](O)CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330453928 410701632 /nfs/dbraw/zinc/70/16/32/410701632.db2.gz MDDOIBCSIRSLFX-NWDGAFQWSA-N -1 3 309.366 1.187 20 5 DDBDHM COc1cc(CNCCc2ncc(C)cn2)c([N+](=O)[O-])cc1[O-] ZINC000340109151 410679883 /nfs/dbraw/zinc/67/98/83/410679883.db2.gz QKDOYEZGOQUCCP-UHFFFAOYSA-N -1 3 318.333 1.740 20 5 DDBDHM O=[N+]([O-])c1ccn(Cc2nc(-c3ccc4n[n-]nc4c3)no2)n1 ZINC000350490938 306751748 /nfs/dbraw/zinc/75/17/48/306751748.db2.gz WCYITWZIXLEHCD-UHFFFAOYSA-N -1 3 312.249 1.161 20 5 DDBDHM COC(=O)[C@]1(C)CCN(C(=O)c2cc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000375090866 418602560 /nfs/dbraw/zinc/60/25/60/418602560.db2.gz QWGHFWIGTCXVRM-CQSZACIVSA-N -1 3 323.305 1.029 20 5 DDBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)CN(C)CC3)c1[N+](=O)[O-] ZINC000299495513 229154278 /nfs/dbraw/zinc/15/42/78/229154278.db2.gz BBCHZSAUISQSKN-UHFFFAOYSA-N -1 3 322.350 1.323 20 5 DDBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000420704132 420363055 /nfs/dbraw/zinc/36/30/55/420363055.db2.gz IKOQFSJQCCOLKG-SECBINFHSA-N -1 3 302.352 1.928 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccnn2)c([N+](=O)[O-])c1 ZINC000443935003 230037763 /nfs/dbraw/zinc/03/77/63/230037763.db2.gz GHRICNDJDJUVDX-UHFFFAOYSA-N -1 3 308.319 1.172 20 5 DDBDHM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1 ZINC000563184808 421469217 /nfs/dbraw/zinc/46/92/17/421469217.db2.gz QEVMNNRDNGBKMG-UHFFFAOYSA-N -1 3 313.741 1.778 20 5 DDBDHM COc1cc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])nn1C ZINC000516128955 421528141 /nfs/dbraw/zinc/52/81/41/421528141.db2.gz FRQVYLDJXPMWFO-UHFFFAOYSA-N -1 3 308.294 1.663 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000583997224 422236917 /nfs/dbraw/zinc/23/69/17/422236917.db2.gz ZBUXCMCQNDNZFX-UWVGGRQHSA-N -1 3 308.338 1.891 20 5 DDBDHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c1 ZINC000179212609 263355484 /nfs/dbraw/zinc/35/54/84/263355484.db2.gz BQSBEGFATFOMFQ-UHFFFAOYSA-N -1 3 324.362 1.851 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]CC(F)(F)CO)c1 ZINC000341651235 271155769 /nfs/dbraw/zinc/15/57/69/271155769.db2.gz PGKWTHXNCCBFJR-UHFFFAOYSA-N -1 3 324.305 1.118 20 5 DDBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342197964 271337044 /nfs/dbraw/zinc/33/70/44/271337044.db2.gz ZJCJPLWHADUQJU-RQJHMYQMSA-N -1 3 308.381 1.666 20 5 DDBDHM NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000344725467 272100634 /nfs/dbraw/zinc/10/06/34/272100634.db2.gz GGMINDWSXKLZPX-UHFFFAOYSA-N -1 3 302.246 1.047 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Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826291263 609406141 /nfs/dbraw/zinc/40/61/41/609406141.db2.gz XERYDJWKBPVCJY-UHFFFAOYSA-N -1 3 313.277 1.664 20 5 DDBDHM C[C@@H]1OCC[C@]1(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825011961 609593599 /nfs/dbraw/zinc/59/35/99/609593599.db2.gz AZNSBNZANGFCDI-SDBXPKJASA-N -1 3 304.310 1.754 20 5 DDBDHM C[C@@H]1OCC[C@]1(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825011961 609593600 /nfs/dbraw/zinc/59/36/00/609593600.db2.gz AZNSBNZANGFCDI-SDBXPKJASA-N -1 3 304.310 1.754 20 5 DDBDHM COc1cc(C=Cc2nccc(=O)[n-]2)c([N+](=O)[O-])cc1OC ZINC000131767548 696808540 /nfs/dbraw/zinc/80/85/40/696808540.db2.gz HPIROWGKPXIPCN-ONEGZZNKSA-N -1 3 303.274 1.866 20 5 DDBDHM O=C([N-]c1nc[nH]n1)c1cccc([N+](=O)[O-])c1Br ZINC000156243625 696960547 /nfs/dbraw/zinc/96/05/47/696960547.db2.gz CJWAVUNXWSXPRF-UHFFFAOYSA-N -1 3 312.083 1.728 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC2CCOCC2)c1 ZINC000773940349 697825054 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CC1(C(=O)N2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001057248604 763068745 /nfs/dbraw/zinc/06/87/45/763068745.db2.gz WMJQDMFKGVJWGS-UHFFFAOYSA-N -1 3 320.349 1.534 20 5 DDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001132783783 769192132 /nfs/dbraw/zinc/19/21/32/769192132.db2.gz VJPQDZMOCWBTNA-UHFFFAOYSA-N -1 3 314.301 1.612 20 5 DDBDHM O=C(/C=C\C1CC1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097021460 771582802 /nfs/dbraw/zinc/58/28/02/771582802.db2.gz CTCAICWFCDGVTP-PJAPWPDISA-N -1 3 318.333 1.721 20 5 DDBDHM CCCC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091304058 772670741 /nfs/dbraw/zinc/67/07/41/772670741.db2.gz HRNSLKVBUOCTKM-AOOOYVTPSA-N -1 3 308.338 1.802 20 5 DDBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)cc1[N+](=O)[O-] ZINC001148264660 773416330 /nfs/dbraw/zinc/41/63/30/773416330.db2.gz QXBLDCSZZPKCCW-SECBINFHSA-N -1 3 302.290 1.890 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001093449178 774691097 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CC(=O)c1cnc(=O)[n-]c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226236597 882298419 /nfs/dbraw/zinc/29/84/19/882298419.db2.gz BLXDPHLYXIPWLD-LBPRGKRZSA-N -1 3 315.285 1.839 20 5 DDBDHM O=C1[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1c1ccc(F)cc1 ZINC001307095821 871395914 /nfs/dbraw/zinc/39/59/14/871395914.db2.gz UEUBGTDHLONYEE-NSHDSACASA-N -1 3 318.264 1.662 20 5 DDBDHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1(=O)=O ZINC001307223491 871413589 /nfs/dbraw/zinc/41/35/89/871413589.db2.gz QCODQKHTQXQMDX-QMMMGPOBSA-N -1 3 315.351 1.463 20 5 DDBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccn2nnnc2c1 ZINC001349886542 875433030 /nfs/dbraw/zinc/43/30/30/875433030.db2.gz QERZWGJYERJTFG-UHFFFAOYSA-N -1 3 302.225 1.424 20 5 DDBDHM CS(=O)(=O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001350486139 875718268 /nfs/dbraw/zinc/71/82/68/875718268.db2.gz JEFLDYWGIMJEKH-SECBINFHSA-N -1 3 315.351 1.099 20 5 DDBDHM COC(=O)c1nccnc1[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC001248456932 893640480 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C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cn1cccn1 ZINC000047413435 352493750 /nfs/dbraw/zinc/49/37/50/352493750.db2.gz IZJLHRJKSLDHFD-LLVKDONJSA-N -1 3 324.362 1.406 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000592106349 355501037 /nfs/dbraw/zinc/50/10/37/355501037.db2.gz DPNDIDOZNIDTNR-NXEZZACHSA-N -1 3 300.336 1.359 20 5 DDBDHM O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)cc1 ZINC000593213997 355825160 /nfs/dbraw/zinc/82/51/60/355825160.db2.gz CPNIABIJWUNEQE-VIFPVBQESA-N -1 3 310.291 1.009 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595361957 356465667 /nfs/dbraw/zinc/46/56/67/356465667.db2.gz DMKZASSTSYVJPH-UHFFFAOYSA-N -1 3 312.347 1.992 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1nccn1C ZINC000595381999 356472994 /nfs/dbraw/zinc/47/29/94/356472994.db2.gz AWVANOVNXZUOPC-SNVBAGLBSA-N -1 3 324.362 1.676 20 5 DDBDHM C[C@@H]1C[C@@]2(CCO1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C[C@H](C)O2 ZINC000596216272 356818528 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DDBDHM Cc1cc([N-]C(=O)COc2c(Cl)cncc2[N+](=O)[O-])on1 ZINC000349919239 284105970 /nfs/dbraw/zinc/10/59/70/284105970.db2.gz CYTDTTDDWVAZKZ-UHFFFAOYSA-N -1 3 312.669 1.957 20 5 DDBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)s1 ZINC000350101243 284148321 /nfs/dbraw/zinc/14/83/21/284148321.db2.gz DGVDLVNHUJPXDX-UHFFFAOYSA-N -1 3 308.323 1.628 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)Cn1ccnc1 ZINC000350396832 284190601 /nfs/dbraw/zinc/19/06/01/284190601.db2.gz RNDPPTFISCPUAZ-LLVKDONJSA-N -1 3 324.362 1.467 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000339119221 250303569 /nfs/dbraw/zinc/30/35/69/250303569.db2.gz HFGFDGGUCDFAAS-ZJUUUORDSA-N -1 3 318.326 1.772 20 5 DDBDHM Cc1nn2c(nnc2SCc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000106404427 194208141 /nfs/dbraw/zinc/20/81/41/194208141.db2.gz FGOXFKZYQRLSJQ-UHFFFAOYSA-N -1 3 318.318 1.734 20 5 DDBDHM CCN1CCCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579597776 422798517 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O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2nc[n-]c(=O)c2C1 ZINC000179048339 407703308 /nfs/dbraw/zinc/70/33/08/407703308.db2.gz QEKTYHPUBFUHGB-UHFFFAOYSA-N -1 3 318.264 1.016 20 5 DDBDHM C[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000119039774 407980989 /nfs/dbraw/zinc/98/09/89/407980989.db2.gz QJVZXWJRPAUEBH-JQWIXIFHSA-N -1 3 307.350 1.855 20 5 DDBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000119280314 408029598 /nfs/dbraw/zinc/02/95/98/408029598.db2.gz IMMPFQWMUDCYMQ-JTQLQIEISA-N -1 3 302.352 1.343 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOC(C)C ZINC000273402882 408186071 /nfs/dbraw/zinc/18/60/71/408186071.db2.gz HCLRVNWFCIHZCK-UHFFFAOYSA-N -1 3 318.351 1.307 20 5 DDBDHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176309216 408336797 /nfs/dbraw/zinc/33/67/97/408336797.db2.gz GRKKVCUEICRVSP-OLZOCXBDSA-N -1 3 319.361 1.999 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000228205085 163340758 /nfs/dbraw/zinc/34/07/58/163340758.db2.gz FHEWFXRAGDTIMA-BDAKNGLRSA-N -1 3 318.351 1.041 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000283903200 409236497 /nfs/dbraw/zinc/23/64/97/409236497.db2.gz KBTZTPWDXLKVTF-UHFFFAOYSA-N -1 3 314.363 1.751 20 5 DDBDHM CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OC ZINC000289422645 409268474 /nfs/dbraw/zinc/26/84/74/409268474.db2.gz CIVQZKAIODKBKG-SNVBAGLBSA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000332199794 409970822 /nfs/dbraw/zinc/97/08/22/409970822.db2.gz SGPYOAWLLDPEMI-APPZFPTMSA-N -1 3 302.327 1.977 20 5 DDBDHM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000330602316 410817544 /nfs/dbraw/zinc/81/75/44/410817544.db2.gz FHKOUZBNQXMHOU-OCCSQVGLSA-N -1 3 323.393 1.577 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cnccn2)c([N+](=O)[O-])c1 ZINC000341227368 410952951 /nfs/dbraw/zinc/95/29/51/410952951.db2.gz JQAYKBUXYQDHTI-UHFFFAOYSA-N -1 3 322.346 1.214 20 5 DDBDHM O=C([N-]c1n[nH]cc1Br)c1n[nH]cc1[N+](=O)[O-] ZINC000353649447 411098201 /nfs/dbraw/zinc/09/82/01/411098201.db2.gz XFLNYBDHCQGWIQ-UHFFFAOYSA-N -1 3 301.060 1.056 20 5 DDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000361866564 307009548 /nfs/dbraw/zinc/00/95/48/307009548.db2.gz VQVMUGKWQCGOKW-UHFFFAOYSA-N -1 3 300.196 1.998 20 5 DDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2cnccc21)c1nnn[n-]1 ZINC000132887438 196293273 /nfs/dbraw/zinc/29/32/73/196293273.db2.gz WBAFPPITFIVNTG-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2cnccc21)c1nn[n-]n1 ZINC000132887438 196293275 /nfs/dbraw/zinc/29/32/75/196293275.db2.gz WBAFPPITFIVNTG-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM O=C([N-]c1cccc(F)c1-c1nc[nH]n1)c1n[nH]cc1[N+](=O)[O-] ZINC000373341925 418421862 /nfs/dbraw/zinc/42/18/62/418421862.db2.gz SMUAOTBILWSEQT-UHFFFAOYSA-N -1 3 317.240 1.494 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1OCC(=O)[N-]c1cc(C)no1 ZINC000194604321 222180373 /nfs/dbraw/zinc/18/03/73/222180373.db2.gz BHXPYGRQXIDHFY-UHFFFAOYSA-N -1 3 307.262 1.917 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2ccncc21 ZINC000570825994 421672762 /nfs/dbraw/zinc/67/27/62/421672762.db2.gz GUAPIDDGFXBFND-UHFFFAOYSA-N -1 3 302.246 1.130 20 5 DDBDHM Cc1cnc(N2CCN(C(C)(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000574640900 422150373 /nfs/dbraw/zinc/15/03/73/422150373.db2.gz OKEUDYBKJGCDKG-UHFFFAOYSA-N -1 3 308.338 1.283 20 5 DDBDHM O=C(NCCCNc1ccc([N+](=O)[O-])nc1)c1cccc([O-])c1 ZINC000344424529 272022504 /nfs/dbraw/zinc/02/25/04/272022504.db2.gz UMOFKXKHMULIQP-UHFFFAOYSA-N -1 3 316.317 1.927 20 5 DDBDHM C[C@@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000286356266 278124411 /nfs/dbraw/zinc/12/44/11/278124411.db2.gz LSFWMWOLJXVFBI-WFASDCNBSA-N -1 3 318.333 1.552 20 5 DDBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000175601365 281827236 /nfs/dbraw/zinc/82/72/36/281827236.db2.gz ANQKPVZMEWJBHI-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)C1 ZINC000294093645 290004280 /nfs/dbraw/zinc/00/42/80/290004280.db2.gz KJFJACQWRZEKBD-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)C1 ZINC000293962298 290188028 /nfs/dbraw/zinc/18/80/28/290188028.db2.gz TXGRFYNFMZNFCZ-OAHLLOKOSA-N -1 3 305.334 1.468 20 5 DDBDHM C[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000452175290 300188213 /nfs/dbraw/zinc/18/82/13/300188213.db2.gz SHCGDGFSURVSQR-LLVKDONJSA-N -1 3 319.361 1.857 20 5 DDBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1csc([N+](=O)[O-])c1 ZINC000370327557 301316935 /nfs/dbraw/zinc/31/69/35/301316935.db2.gz RFVBUDGRLDHSDB-UHFFFAOYSA-N -1 3 316.302 1.884 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000531940650 303266987 /nfs/dbraw/zinc/26/69/87/303266987.db2.gz FZOOHFGJKHOLIP-UHFFFAOYSA-N -1 3 316.335 1.061 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C)C1 ZINC000520803788 307462613 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5 DDBDHM CCC(CC)[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736338458 598679665 /nfs/dbraw/zinc/67/96/65/598679665.db2.gz VNYJPWMQASFBQJ-ZDUSSCGKSA-N -1 3 320.353 1.984 20 5 DDBDHM CCC(CC)[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736338458 598679667 /nfs/dbraw/zinc/67/96/67/598679667.db2.gz VNYJPWMQASFBQJ-ZDUSSCGKSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C)[C@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736328239 598773744 /nfs/dbraw/zinc/77/37/44/598773744.db2.gz GVTDFNWITURJBL-PRHODGIISA-N -1 3 306.326 1.594 20 5 DDBDHM CC[C@@H](C)[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736328239 598773746 /nfs/dbraw/zinc/77/37/46/598773746.db2.gz GVTDFNWITURJBL-PRHODGIISA-N -1 3 306.326 1.594 20 5 DDBDHM CCN(C[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821206876 607466008 /nfs/dbraw/zinc/46/60/08/607466008.db2.gz GMKWITMMPOSXHN-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CCN(C[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821206876 607466009 /nfs/dbraw/zinc/46/60/09/607466009.db2.gz GMKWITMMPOSXHN-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM COc1ccc(Cn2nccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826208311 607544485 /nfs/dbraw/zinc/54/44/85/607544485.db2.gz DNFFPIXFEVXSSS-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM COc1ccc(Cn2nccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826208311 607544486 /nfs/dbraw/zinc/54/44/86/607544486.db2.gz DNFFPIXFEVXSSS-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM O=C([O-])N[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000740597437 605919525 /nfs/dbraw/zinc/91/95/25/605919525.db2.gz ZMQOXBWZKNKJCN-NSHDSACASA-N -1 3 309.322 1.706 20 5 DDBDHM Cc1cnc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822394730 606061833 /nfs/dbraw/zinc/06/18/33/606061833.db2.gz FOQRQXNHEVWXEK-UHFFFAOYSA-N -1 3 301.266 1.683 20 5 DDBDHM Cc1cnc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000822394730 606061839 /nfs/dbraw/zinc/06/18/39/606061839.db2.gz FOQRQXNHEVWXEK-UHFFFAOYSA-N -1 3 301.266 1.683 20 5 DDBDHM CCOC(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821325456 606726203 /nfs/dbraw/zinc/72/62/03/606726203.db2.gz FQZNLBCADRUEOB-MRVPVSSYSA-N -1 3 320.309 1.529 20 5 DDBDHM CCOC(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821325456 606726205 /nfs/dbraw/zinc/72/62/05/606726205.db2.gz FQZNLBCADRUEOB-MRVPVSSYSA-N -1 3 320.309 1.529 20 5 DDBDHM CC(C)CSCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824275015 607905021 /nfs/dbraw/zinc/90/50/21/607905021.db2.gz QRZKKDIIWBCWMJ-UHFFFAOYSA-N -1 3 323.382 1.971 20 5 DDBDHM CC(C)CSCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824275015 607905022 /nfs/dbraw/zinc/90/50/22/607905022.db2.gz QRZKKDIIWBCWMJ-UHFFFAOYSA-N -1 3 323.382 1.971 20 5 DDBDHM Cc1ocnc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826342887 608077459 /nfs/dbraw/zinc/07/74/59/608077459.db2.gz DHQCSBMOXRFRAW-UHFFFAOYSA-N -1 3 301.266 1.683 20 5 DDBDHM Cc1ocnc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826342887 608077460 /nfs/dbraw/zinc/07/74/60/608077460.db2.gz DHQCSBMOXRFRAW-UHFFFAOYSA-N -1 3 301.266 1.683 20 5 DDBDHM O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000072988743 696399717 /nfs/dbraw/zinc/39/97/17/696399717.db2.gz XGUGGTWKFKMFNZ-NTEUORMPSA-N -1 3 324.296 1.822 20 5 DDBDHM Cn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789586780 699397007 /nfs/dbraw/zinc/39/70/07/699397007.db2.gz CMYRZWRZVOXINE-UHFFFAOYSA-N -1 3 311.279 1.629 20 5 DDBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncccn1 ZINC000743336974 699907672 /nfs/dbraw/zinc/90/76/72/699907672.db2.gz LFLMJYKJPNWKGR-UHFFFAOYSA-N -1 3 311.261 1.422 20 5 DDBDHM COCC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1 ZINC000796452572 699934636 /nfs/dbraw/zinc/93/46/36/699934636.db2.gz ZLFPVDYUGHGDLO-UHFFFAOYSA-N -1 3 320.261 1.122 20 5 DDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ncccc1[O-] ZINC000801972083 700361009 /nfs/dbraw/zinc/36/10/09/700361009.db2.gz YLKRUCYDBFNUTE-UHFFFAOYSA-N -1 3 306.253 1.347 20 5 DDBDHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000805604983 701398118 /nfs/dbraw/zinc/39/81/18/701398118.db2.gz DSRSZBWWSLXDRE-ZCFIWIBFSA-N -1 3 323.240 1.036 20 5 DDBDHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000805604983 701398119 /nfs/dbraw/zinc/39/81/19/701398119.db2.gz DSRSZBWWSLXDRE-ZCFIWIBFSA-N -1 3 323.240 1.036 20 5 DDBDHM CCOC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821373042 704398908 /nfs/dbraw/zinc/39/89/08/704398908.db2.gz CAMZNSWGBPVZMK-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CCOC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821373042 704398910 /nfs/dbraw/zinc/39/89/10/704398910.db2.gz CAMZNSWGBPVZMK-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM O=c1[n-]ccc(N2CCC(CO)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000896328586 711706902 /nfs/dbraw/zinc/70/69/02/711706902.db2.gz JVRXXBWNPQSSCK-UHFFFAOYSA-N -1 3 321.255 1.837 20 5 DDBDHM CCOCCO[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935454292 715059225 /nfs/dbraw/zinc/05/92/25/715059225.db2.gz LHQIJCJITGOXHG-UHFFFAOYSA-N -1 3 300.286 1.751 20 5 DDBDHM CC/C(C)=C\C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105386199 740470498 /nfs/dbraw/zinc/47/04/98/740470498.db2.gz CUEKUUORKLUHLS-KHPPLWFESA-N -1 3 322.365 1.946 20 5 DDBDHM CC1(CC(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110281412 743580183 /nfs/dbraw/zinc/58/01/83/743580183.db2.gz SDMPRRCGZCFRAN-UHFFFAOYSA-N -1 3 320.349 1.946 20 5 DDBDHM CC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110372098 744297965 /nfs/dbraw/zinc/29/79/65/744297965.db2.gz SSZRAUJRQJQLJS-UHFFFAOYSA-N -1 3 306.322 1.556 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccco1 ZINC001106661061 745881855 /nfs/dbraw/zinc/88/18/55/745881855.db2.gz DOLPHLNJHKYPLM-UHFFFAOYSA-N -1 3 320.305 1.863 20 5 DDBDHM CCC(=O)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127540689 747332394 /nfs/dbraw/zinc/33/23/94/747332394.db2.gz YKUAGYJHLMTBOQ-UHFFFAOYSA-N -1 3 306.322 1.358 20 5 DDBDHM CC(C)C(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095337790 749568152 /nfs/dbraw/zinc/56/81/52/749568152.db2.gz RLZBTNGWYQAPRQ-UHFFFAOYSA-N -1 3 322.365 1.684 20 5 DDBDHM CCC(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067226992 758776426 /nfs/dbraw/zinc/77/64/26/758776426.db2.gz AQRPRZGSNVWTKE-UHFFFAOYSA-N -1 3 308.338 1.898 20 5 DDBDHM CN(CCNC(=O)C1CC=CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099973163 759323260 /nfs/dbraw/zinc/32/32/60/759323260.db2.gz XOLHCIBHGRBFNG-UHFFFAOYSA-N -1 3 306.322 1.214 20 5 DDBDHM CN(CCNC(=O)CC1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100001119 775552938 /nfs/dbraw/zinc/55/29/38/775552938.db2.gz ARFZAVMXHDWBPS-UHFFFAOYSA-N -1 3 308.338 1.438 20 5 DDBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001094280614 775636710 /nfs/dbraw/zinc/63/67/10/775636710.db2.gz NOQMHEGDVUPHFP-UHFFFAOYSA-N -1 3 317.305 1.322 20 5 DDBDHM COc1cc(C[NH2+]C[C@H](C)CCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001116779767 780557054 /nfs/dbraw/zinc/55/70/54/780557054.db2.gz PTAHRBKLYJPCMH-SECBINFHSA-N -1 3 312.322 1.900 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccncn2)c(F)c1 ZINC001190938643 851148913 /nfs/dbraw/zinc/14/89/13/851148913.db2.gz WWNVGQFNLBUTFH-UHFFFAOYSA-N -1 3 312.282 1.002 20 5 DDBDHM CCc1nc(O[C@H](C)Cn2c(C)ncc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001226475873 882455008 /nfs/dbraw/zinc/45/50/08/882455008.db2.gz NIFQVQMIBFSEPN-MRVPVSSYSA-N -1 3 307.310 1.625 20 5 DDBDHM C[C@H](Oc1cc(=O)[n-]cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226948037 882737608 /nfs/dbraw/zinc/73/76/08/882737608.db2.gz ZMHSAGPPGCKUAS-ZETCQYMHSA-N -1 3 305.246 1.959 20 5 DDBDHM O=c1ccc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)n[n-]1 ZINC001227092776 882825339 /nfs/dbraw/zinc/82/53/39/882825339.db2.gz DRCOIMVSATUGFT-VIFPVBQESA-N -1 3 320.280 1.887 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C2([C@H](C)O)CC2)c([N+](=O)[O-])s1 ZINC001213193623 875846981 /nfs/dbraw/zinc/84/69/81/875846981.db2.gz BTWUMNOKPXKRKO-ZETCQYMHSA-N -1 3 306.365 1.156 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000278725718 214358019 /nfs/dbraw/zinc/35/80/19/214358019.db2.gz LNPWJQITKUMQRZ-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000452013486 231269668 /nfs/dbraw/zinc/26/96/68/231269668.db2.gz GWSSSIVKBCWMSQ-LLVKDONJSA-N -1 3 314.363 1.690 20 5 DDBDHM COCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000056066399 352757456 /nfs/dbraw/zinc/75/74/56/352757456.db2.gz XCHPHGAWTZASJE-UHFFFAOYSA-N -1 3 318.351 1.308 20 5 DDBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CN1C1CC1 ZINC000182091300 199385716 /nfs/dbraw/zinc/38/57/16/199385716.db2.gz JOKGHMDBNABILI-NXEZZACHSA-N -1 3 305.334 1.655 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000145420007 354156742 /nfs/dbraw/zinc/15/67/42/354156742.db2.gz OXNAHIICOAQZLY-NSHDSACASA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCN(C)C(C)C)c([N+](=O)[O-])c1 ZINC000155614999 354214449 /nfs/dbraw/zinc/21/44/49/354214449.db2.gz AOLILOUJYBPFND-UHFFFAOYSA-N -1 3 315.395 1.522 20 5 DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160312286 354238350 /nfs/dbraw/zinc/23/83/50/354238350.db2.gz UOHVOKBYFQPNDH-SECBINFHSA-N -1 3 322.770 1.952 20 5 DDBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601320474 358495071 /nfs/dbraw/zinc/49/50/71/358495071.db2.gz PZQXMJHZISWZSH-QMMMGPOBSA-N -1 3 320.342 1.603 20 5 DDBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000074792489 191362038 /nfs/dbraw/zinc/36/20/38/191362038.db2.gz JWMKDIKKKSGWSA-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593561388 355926269 /nfs/dbraw/zinc/92/62/69/355926269.db2.gz BPXYSOYEJBOJMN-VHSXEESVSA-N -1 3 315.351 1.083 20 5 DDBDHM COc1ccc(OCCN2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000593749571 355985383 /nfs/dbraw/zinc/98/53/83/355985383.db2.gz AWIFAFPNEJTISE-JQWIXIFHSA-N -1 3 324.333 1.777 20 5 DDBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593613672 355942863 /nfs/dbraw/zinc/94/28/63/355942863.db2.gz VTBJDEWARFPSKV-UWVGGRQHSA-N -1 3 317.367 1.065 20 5 DDBDHM COc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1[O-] ZINC000594985858 356368073 /nfs/dbraw/zinc/36/80/73/356368073.db2.gz AYIMBLUQARFXTN-ZIAGYGMSSA-N -1 3 308.334 1.702 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2([C@H](C)O)CC2)cc1C ZINC000595361257 356464500 /nfs/dbraw/zinc/46/45/00/356464500.db2.gz JRZSKKFBGFOFBT-JTQLQIEISA-N -1 3 314.363 1.403 20 5 DDBDHM CC(C)CN1CCO[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596058044 356756013 /nfs/dbraw/zinc/75/60/13/356756013.db2.gz BICKTEPHYLVGCW-NSHDSACASA-N -1 3 310.354 1.464 20 5 DDBDHM Cn1cc(N2CCC[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cn1 ZINC000596139615 356788106 /nfs/dbraw/zinc/78/81/06/356788106.db2.gz DDYPVKXMUXKJFV-JTQLQIEISA-N -1 3 318.337 1.510 20 5 DDBDHM CCC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1CCOC ZINC000596176189 356802954 /nfs/dbraw/zinc/80/29/54/356802954.db2.gz AJURIZSYQMSJPE-LBPRGKRZSA-N -1 3 324.381 1.633 20 5 DDBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@]12CCCO2 ZINC000596192920 356808606 /nfs/dbraw/zinc/80/86/06/356808606.db2.gz YJMSGUTXMWLSLH-MISXGVKJSA-N -1 3 309.322 1.834 20 5 DDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000596215919 356818455 /nfs/dbraw/zinc/81/84/55/356818455.db2.gz ANEZSRPBBAURPH-CQSZACIVSA-N -1 3 309.322 1.470 20 5 DDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596571366 356921053 /nfs/dbraw/zinc/92/10/53/356921053.db2.gz HBKYJMLVKFGTMR-JVXZTZIISA-N -1 3 303.265 1.944 20 5 DDBDHM COc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000599007662 357791368 /nfs/dbraw/zinc/79/13/68/357791368.db2.gz SCOBXTQSASOBMX-SMDDNHRTSA-N -1 3 308.334 1.966 20 5 DDBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000599316421 357890421 /nfs/dbraw/zinc/89/04/21/357890421.db2.gz HHDWKRILZINIQC-UHFFFAOYSA-N -1 3 312.307 1.073 20 5 DDBDHM O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600836792 358329187 /nfs/dbraw/zinc/32/91/87/358329187.db2.gz CFALFRGMLKDFCU-LLVKDONJSA-N -1 3 320.349 1.442 20 5 DDBDHM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000358949430 299289429 /nfs/dbraw/zinc/28/94/29/299289429.db2.gz GPNHHQAUTYSPMQ-UHFFFAOYSA-N -1 3 311.323 1.385 20 5 DDBDHM Cn1[n-]c(=O)c2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000603417199 359627476 /nfs/dbraw/zinc/62/74/76/359627476.db2.gz ZQMWAENAZWNWLI-UHFFFAOYSA-N -1 3 309.713 1.645 20 5 DDBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000173634612 306685321 /nfs/dbraw/zinc/68/53/21/306685321.db2.gz LYTHGUIQAPQYCR-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000619500284 364040388 /nfs/dbraw/zinc/04/03/88/364040388.db2.gz HISMLXSWRHXVOV-BZBKMWRSSA-N -1 3 312.347 1.680 20 5 DDBDHM COc1cc(CN[C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1[O-] ZINC000282679912 217171416 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)CO)cc1C ZINC000086630816 407113696 /nfs/dbraw/zinc/11/36/96/407113696.db2.gz GMIXLTWCJUBSMQ-MRVPVSSYSA-N -1 3 302.352 1.118 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCCO ZINC000094946839 407205090 /nfs/dbraw/zinc/20/50/90/407205090.db2.gz DUNCAKCPMKOYHD-SECBINFHSA-N -1 3 318.351 1.043 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC2)c(Cl)c1 ZINC000178819936 407614889 /nfs/dbraw/zinc/61/48/89/407614889.db2.gz USSGHJULOWIJJU-SSDOTTSWSA-N -1 3 306.727 1.315 20 5 DDBDHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc([N+](=O)[O-])o1 ZINC000153095475 407752997 /nfs/dbraw/zinc/75/29/97/407752997.db2.gz PXMGPPWFGROUEO-UHFFFAOYSA-N -1 3 319.273 1.053 20 5 DDBDHM CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272344710 407878718 /nfs/dbraw/zinc/87/87/18/407878718.db2.gz BGCGEXUKQATWPE-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000272506521 407952348 /nfs/dbraw/zinc/95/23/48/407952348.db2.gz JHLUUSGATXIKIQ-CMPLNLGQSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1cnccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188836117 407981151 /nfs/dbraw/zinc/98/11/51/407981151.db2.gz LSTXWJHFAZKLEQ-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119268202 408027174 /nfs/dbraw/zinc/02/71/74/408027174.db2.gz FGENTIZOMQEGJM-SECBINFHSA-N -1 3 322.770 1.688 20 5 DDBDHM O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272657427 408009161 /nfs/dbraw/zinc/00/91/61/408009161.db2.gz GKEORUOIRSLZLF-GFCCVEGCSA-N -1 3 302.290 1.831 20 5 DDBDHM CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176077336 408282506 /nfs/dbraw/zinc/28/25/06/408282506.db2.gz ZFNCLWQHTIMZDS-GFCCVEGCSA-N -1 3 307.350 1.857 20 5 DDBDHM Nc1c(C(=O)NCc2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000176607004 408402971 /nfs/dbraw/zinc/40/29/71/408402971.db2.gz KBVLWZMLHUHORG-UHFFFAOYSA-N -1 3 305.265 1.952 20 5 DDBDHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000270349761 408497903 /nfs/dbraw/zinc/49/79/03/408497903.db2.gz SEOCJVZPELXNKR-ZETCQYMHSA-N -1 3 312.307 1.255 20 5 DDBDHM COC(C)(C)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184591594 408649559 /nfs/dbraw/zinc/64/95/59/408649559.db2.gz BVCQRHYBOMGLNS-UHFFFAOYSA-N -1 3 302.352 1.439 20 5 DDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000280791395 408833638 /nfs/dbraw/zinc/83/36/38/408833638.db2.gz QPVCWZDRPIZIHO-PSASIEDQSA-N -1 3 300.336 1.680 20 5 DDBDHM CN(C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000188018017 163037218 /nfs/dbraw/zinc/03/72/18/163037218.db2.gz JGYLEXXMUWCLJR-UHFFFAOYSA-N -1 3 303.278 1.409 20 5 DDBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000289437116 409271725 /nfs/dbraw/zinc/27/17/25/409271725.db2.gz DRXRNSSCTVSDDD-SNVBAGLBSA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](C)CCO ZINC000296367020 409514806 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DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000270649289 295199473 /nfs/dbraw/zinc/19/94/73/295199473.db2.gz QDKATTFVYCMSOM-PSASIEDQSA-N -1 3 316.335 1.059 20 5 DDBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)nc1C ZINC000531635079 307621157 /nfs/dbraw/zinc/62/11/57/307621157.db2.gz QEACFKFSYHSBFV-UHFFFAOYSA-N -1 3 322.302 1.794 20 5 DDBDHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)COC1 ZINC000451952040 527749293 /nfs/dbraw/zinc/74/92/93/527749293.db2.gz NENPVIHOEGZPSU-UHFFFAOYSA-N -1 3 320.392 1.670 20 5 DDBDHM COCCOC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821692129 599044056 /nfs/dbraw/zinc/04/40/56/599044056.db2.gz OXARRQYQARUEBE-SECBINFHSA-N -1 3 322.325 1.238 20 5 DDBDHM COCCOC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821692129 599044059 /nfs/dbraw/zinc/04/40/59/599044059.db2.gz OXARRQYQARUEBE-SECBINFHSA-N -1 3 322.325 1.238 20 5 DDBDHM O=[N+]([O-])c1cc(NC[C@H](O)c2ccco2)ccc1-c1nnn[n-]1 ZINC000823634434 607347126 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CC1(O)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820629659 607117178 /nfs/dbraw/zinc/11/71/78/607117178.db2.gz ZRDJOXPBACOKBS-UHFFFAOYSA-N -1 3 304.310 1.126 20 5 DDBDHM CC1(O)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820629659 607117180 /nfs/dbraw/zinc/11/71/80/607117180.db2.gz ZRDJOXPBACOKBS-UHFFFAOYSA-N -1 3 304.310 1.126 20 5 DDBDHM Cn1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000826363465 608232855 /nfs/dbraw/zinc/23/28/55/608232855.db2.gz NSMMLUYDPYUHAC-UHFFFAOYSA-N -1 3 300.282 1.121 20 5 DDBDHM Cn1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000826363465 608232856 /nfs/dbraw/zinc/23/28/56/608232856.db2.gz NSMMLUYDPYUHAC-UHFFFAOYSA-N -1 3 300.282 1.121 20 5 DDBDHM CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824222823 609319819 /nfs/dbraw/zinc/31/98/19/609319819.db2.gz CCTQUJQGUQPQAS-LLVKDONJSA-N -1 3 319.325 1.031 20 5 DDBDHM CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824222823 609319820 /nfs/dbraw/zinc/31/98/20/609319820.db2.gz CCTQUJQGUQPQAS-LLVKDONJSA-N -1 3 319.325 1.031 20 5 DDBDHM Cc1nnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000826335221 609577828 /nfs/dbraw/zinc/57/78/28/609577828.db2.gz DFCZERIDIGAEPH-UHFFFAOYSA-N -1 3 318.322 1.547 20 5 DDBDHM Cc1nnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000826335221 609577831 /nfs/dbraw/zinc/57/78/31/609577831.db2.gz DFCZERIDIGAEPH-UHFFFAOYSA-N -1 3 318.322 1.547 20 5 DDBDHM Cc1cc(NC[C@](C)(O)C(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC000263556460 698513457 /nfs/dbraw/zinc/51/34/57/698513457.db2.gz OOCQFFPMULEATE-AWEZNQCLSA-N -1 3 305.290 1.699 20 5 DDBDHM CC(C)Oc1cc(C(=O)[N-]N2CCCNC2=O)ccc1[N+](=O)[O-] ZINC000839724337 701797863 /nfs/dbraw/zinc/79/78/63/701797863.db2.gz NBTGKCJHKLVBCQ-UHFFFAOYSA-N -1 3 322.321 1.442 20 5 DDBDHM O=C([N-][C@@H]1CCCOC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581754 703565286 /nfs/dbraw/zinc/56/52/86/703565286.db2.gz QQVFHZLQUGUAEH-SECBINFHSA-N -1 3 316.260 1.862 20 5 DDBDHM O=c1[n-]ccc(N2CCC(OC[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000853427729 704239235 /nfs/dbraw/zinc/23/92/35/704239235.db2.gz OZRLJAQDSYHHNP-GFCCVEGCSA-N -1 3 323.349 1.860 20 5 DDBDHM CN(C)C(=O)OC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853647461 704292616 /nfs/dbraw/zinc/29/26/16/704292616.db2.gz DHCTWQTYWAYLDM-UHFFFAOYSA-N -1 3 310.310 1.362 20 5 DDBDHM CO[C@]1(C(F)(F)F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000882843296 707813904 /nfs/dbraw/zinc/81/39/04/707813904.db2.gz QBFCZIARAXNVKE-SNVBAGLBSA-N -1 3 307.228 1.853 20 5 DDBDHM O=c1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc[n-]1 ZINC000891451831 710205400 /nfs/dbraw/zinc/20/54/00/710205400.db2.gz TXCQDEYNTRJQOD-UHFFFAOYSA-N -1 3 301.306 1.417 20 5 DDBDHM COc1c([O-])ccc(CN2CCO[C@H](CCF)C2)c1[N+](=O)[O-] ZINC000895627750 711564148 /nfs/dbraw/zinc/56/41/48/711564148.db2.gz GHZDHTYAOHLUJX-LLVKDONJSA-N -1 3 314.313 1.869 20 5 DDBDHM O=c1[n-]ccc(N2CCC3(CC2)C[C@@H](O)CCO3)c1[N+](=O)[O-] ZINC001187701734 744593977 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DDBDHM O=C(NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1)C1CCC1 ZINC001101269198 777020175 /nfs/dbraw/zinc/02/01/75/777020175.db2.gz UNOTXDIASUCOCV-UHFFFAOYSA-N -1 3 320.349 1.581 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001101478767 777162859 /nfs/dbraw/zinc/16/28/59/777162859.db2.gz GJYKIXPACRQOAM-UHFFFAOYSA-N -1 3 316.317 1.880 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cc1ccc[nH]1 ZINC001101636440 777333648 /nfs/dbraw/zinc/33/36/48/777333648.db2.gz LHEUFECFJCPRCX-UHFFFAOYSA-N -1 3 319.321 1.137 20 5 DDBDHM Cc1coc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001101916034 777675091 /nfs/dbraw/zinc/67/50/91/777675091.db2.gz KCBMAMGCFBWCLA-UHFFFAOYSA-N -1 3 320.305 1.781 20 5 DDBDHM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001116281800 780493237 /nfs/dbraw/zinc/49/32/37/780493237.db2.gz DYRKFIBSUJKHQG-UHFFFAOYSA-N -1 3 307.331 1.829 20 5 DDBDHM CC(C)Oc1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001156284436 862904599 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DDBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593590687 355936082 /nfs/dbraw/zinc/93/60/82/355936082.db2.gz LMUSJFDSWJHGFT-QWRGUYRKSA-N -1 3 315.351 1.226 20 5 DDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000594766346 356311497 /nfs/dbraw/zinc/31/14/97/356311497.db2.gz UPIHSKQVCUZATG-VIFPVBQESA-N -1 3 323.330 1.210 20 5 DDBDHM COC1CC(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594789994 356317593 /nfs/dbraw/zinc/31/75/93/356317593.db2.gz OYUAJGBCBKBYEM-UHFFFAOYSA-N -1 3 314.363 1.688 20 5 DDBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000594851962 356337408 /nfs/dbraw/zinc/33/74/08/356337408.db2.gz NRCRLBWIWVJQPS-WDEREUQCSA-N -1 3 314.363 1.831 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000184671620 199748992 /nfs/dbraw/zinc/74/89/92/199748992.db2.gz FKXDFXVVTCAQAW-UHFFFAOYSA-N -1 3 318.326 1.357 20 5 DDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000596144689 356790582 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20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609875350 360359379 /nfs/dbraw/zinc/35/93/79/360359379.db2.gz JIPIMSACFZXVRY-NSHDSACASA-N -1 3 324.724 1.490 20 5 DDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000612032875 360895391 /nfs/dbraw/zinc/89/53/91/360895391.db2.gz ALHKTDQARGGJGW-UHFFFAOYSA-N -1 3 315.289 1.681 20 5 DDBDHM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cn1 ZINC000266271871 205228501 /nfs/dbraw/zinc/22/85/01/205228501.db2.gz RIEVUUOSJUADBL-UHFFFAOYSA-N -1 3 304.310 1.685 20 5 DDBDHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000351592846 284399278 /nfs/dbraw/zinc/39/92/78/284399278.db2.gz AWWJTACSFANPJV-BYCRGOAPSA-N -1 3 314.363 1.509 20 5 DDBDHM CN(C)c1nc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC000338769236 250129282 /nfs/dbraw/zinc/12/92/82/250129282.db2.gz OFPVZKAZDMWGCO-UHFFFAOYSA-N -1 3 317.305 1.086 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O ZINC000120810133 195241726 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CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000188744540 407971991 /nfs/dbraw/zinc/97/19/91/407971991.db2.gz QJDUGSZEPMMHEV-SNVBAGLBSA-N -1 3 314.363 1.831 20 5 DDBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000119502560 408083031 /nfs/dbraw/zinc/08/30/31/408083031.db2.gz RIXJYMCCCXOOFR-UHFFFAOYSA-N -1 3 312.289 1.971 20 5 DDBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000119502560 408083038 /nfs/dbraw/zinc/08/30/38/408083038.db2.gz RIXJYMCCCXOOFR-UHFFFAOYSA-N -1 3 312.289 1.971 20 5 DDBDHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000120642901 408139992 /nfs/dbraw/zinc/13/99/92/408139992.db2.gz PVPCQKCJJRLKIF-JTQLQIEISA-N -1 3 322.770 1.543 20 5 DDBDHM C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN1C1CC1 ZINC000158582288 408347559 /nfs/dbraw/zinc/34/75/59/408347559.db2.gz CWCHRZUXCWUAAS-UWVGGRQHSA-N -1 3 305.334 1.655 20 5 DDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000191219466 408387209 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC1(O)CCC1 ZINC000420715624 420367628 /nfs/dbraw/zinc/36/76/28/420367628.db2.gz AYHPCEHOGJYSMH-UHFFFAOYSA-N -1 3 314.363 1.568 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000416525279 420406179 /nfs/dbraw/zinc/40/61/79/420406179.db2.gz OONBVIFKUKUADO-MWLCHTKSSA-N -1 3 300.336 1.095 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416560089 420418042 /nfs/dbraw/zinc/41/80/42/420418042.db2.gz LWFCKCSCCLDURV-SECBINFHSA-N -1 3 310.335 1.368 20 5 DDBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CS1 ZINC000416597781 420429620 /nfs/dbraw/zinc/42/96/20/420429620.db2.gz SKIYSGGZKHDUKT-JGVFFNPUSA-N -1 3 320.367 1.906 20 5 DDBDHM CC1(C)CCCN1CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000457053076 420598418 /nfs/dbraw/zinc/59/84/18/420598418.db2.gz JSVIBXRGPBLDRJ-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCn2cccc2)c([N+](=O)[O-])c1 ZINC000487106338 421005035 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DDBDHM COC(=O)c1ccc(OCc2n[n-]c(=O)s2)c([N+](=O)[O-])c1 ZINC000554398134 490304720 /nfs/dbraw/zinc/30/47/20/490304720.db2.gz WYDSTVJSLCLRHI-UHFFFAOYSA-N -1 3 311.275 1.518 20 5 DDBDHM O=C([N-]O[C@H]1CCCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000299718124 534717643 /nfs/dbraw/zinc/71/76/43/534717643.db2.gz UNURLHHSIWMNRE-NSHDSACASA-N -1 3 311.250 1.691 20 5 DDBDHM CCc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)on1 ZINC000736677349 599043704 /nfs/dbraw/zinc/04/37/04/599043704.db2.gz YCKCVMRCFRKXCX-UHFFFAOYSA-N -1 3 315.293 1.937 20 5 DDBDHM CCc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)on1 ZINC000736677349 599043707 /nfs/dbraw/zinc/04/37/07/599043707.db2.gz YCKCVMRCFRKXCX-UHFFFAOYSA-N -1 3 315.293 1.937 20 5 DDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1csc([N+](=O)[O-])c1 ZINC000738149177 598662229 /nfs/dbraw/zinc/66/22/29/598662229.db2.gz AJSIGDORQPTUPK-UHFFFAOYSA-N -1 3 317.290 1.484 20 5 DDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1csc([N+](=O)[O-])c1 ZINC000738149177 598662231 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306.315 1.172 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000432324201 229095510 /nfs/dbraw/zinc/09/55/10/229095510.db2.gz GBHHQISBCJIXHD-QWRGUYRKSA-N -1 3 314.363 1.607 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000433341446 229189131 /nfs/dbraw/zinc/18/91/31/229189131.db2.gz GARRLDPDQIDHRO-SSDOTTSWSA-N -1 3 308.381 1.404 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000416521820 420406234 /nfs/dbraw/zinc/40/62/34/420406234.db2.gz CUUAMZUZDLSFRQ-VXNVDRBHSA-N -1 3 306.365 1.156 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2ncc(C(C)=O)s2)c1[N+](=O)[O-] ZINC000439409711 420509346 /nfs/dbraw/zinc/50/93/46/420509346.db2.gz KCZLVVURVAZAGQ-UHFFFAOYSA-N -1 3 309.307 1.792 20 5 DDBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000457098792 420612090 /nfs/dbraw/zinc/61/20/90/420612090.db2.gz ULLLFHKPWWSSQI-GFCCVEGCSA-N -1 3 307.350 1.855 20 5 DDBDHM CCC(=O)c1ccc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])c1 ZINC000530532744 421604856 /nfs/dbraw/zinc/60/48/56/421604856.db2.gz XJLPKBPRQZCDIU-UHFFFAOYSA-N -1 3 308.319 1.949 20 5 DDBDHM CCN1CCC[C@@H]1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574210219 422077873 /nfs/dbraw/zinc/07/78/73/422077873.db2.gz OTRKTYOEZWTAML-SNVBAGLBSA-N -1 3 308.338 1.893 20 5 DDBDHM Nc1cc(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)[nH]n1 ZINC000596150966 422367309 /nfs/dbraw/zinc/36/73/09/422367309.db2.gz GEFURNQCZOVZOZ-UHFFFAOYSA-N -1 3 304.310 1.385 20 5 DDBDHM COCCc1ccnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000341888649 271233274 /nfs/dbraw/zinc/23/32/74/271233274.db2.gz QCKKCMBVCRRZAF-UHFFFAOYSA-N -1 3 318.289 1.532 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342517388 271445182 /nfs/dbraw/zinc/44/51/82/271445182.db2.gz UOWNSBHZLOFVRY-QMMMGPOBSA-N -1 3 308.381 1.260 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000127163080 281266344 /nfs/dbraw/zinc/26/63/44/281266344.db2.gz XYBOOYKYXGSKOL-UHFFFAOYSA-N -1 3 320.392 1.858 20 5 DDBDHM Cc1noc2ncc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])cc12 ZINC000357896776 299016706 /nfs/dbraw/zinc/01/67/06/299016706.db2.gz FVVBEOKAPIVWEA-UHFFFAOYSA-N -1 3 302.250 1.425 20 5 DDBDHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000121406652 300629524 /nfs/dbraw/zinc/62/95/24/300629524.db2.gz BALTVUMINAVXSY-VXNVDRBHSA-N -1 3 320.754 1.704 20 5 DDBDHM Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375094739 301893213 /nfs/dbraw/zinc/89/32/13/301893213.db2.gz RBNALJDJQUSFRT-NWDGAFQWSA-N -1 3 321.333 1.787 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c([N+](=O)[O-])c1 ZINC000452054523 534210269 /nfs/dbraw/zinc/21/02/69/534210269.db2.gz RGUXCPYJPMIDFL-LBPRGKRZSA-N -1 3 314.363 1.343 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000738371675 598977956 /nfs/dbraw/zinc/97/79/56/598977956.db2.gz WJIRXCWHSYWVAF-RNCFNFMXSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@@H]2O)c(-c2nn[n-]n2)c1 ZINC000738371675 598977958 /nfs/dbraw/zinc/97/79/58/598977958.db2.gz WJIRXCWHSYWVAF-RNCFNFMXSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(NC[C@H]2CCC[C@@H]2O)ccc1-c1nnn[n-]1 ZINC000826498305 607842381 /nfs/dbraw/zinc/84/23/81/607842381.db2.gz PABFHMIXVMNWJG-PELKAZGASA-N -1 3 304.310 1.348 20 5 DDBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738246221 598436275 /nfs/dbraw/zinc/43/62/75/598436275.db2.gz CTPJOEOUTCBVLF-UHFFFAOYSA-N -1 3 312.245 1.389 20 5 DDBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738246221 598436277 /nfs/dbraw/zinc/43/62/77/598436277.db2.gz CTPJOEOUTCBVLF-UHFFFAOYSA-N -1 3 312.245 1.389 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCOCC2CC2)c(-c2nnn[n-]2)c1 ZINC000738374190 598504603 /nfs/dbraw/zinc/50/46/03/598504603.db2.gz KPYHOJDRCCRTFH-UHFFFAOYSA-N -1 3 305.298 1.008 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCOCC2CC2)c(-c2nn[n-]n2)c1 ZINC000738374190 598504604 /nfs/dbraw/zinc/50/46/04/598504604.db2.gz KPYHOJDRCCRTFH-UHFFFAOYSA-N -1 3 305.298 1.008 20 5 DDBDHM Cc1nn(Cc2ccc(F)cc2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000737521816 598643434 /nfs/dbraw/zinc/64/34/34/598643434.db2.gz KHHLOGODKAJYQE-UHFFFAOYSA-N -1 3 317.284 1.776 20 5 DDBDHM Cc1nn(Cc2ccc(F)cc2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000737521816 598643436 /nfs/dbraw/zinc/64/34/36/598643436.db2.gz KHHLOGODKAJYQE-UHFFFAOYSA-N -1 3 317.284 1.776 20 5 DDBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736140721 598756150 /nfs/dbraw/zinc/75/61/50/598756150.db2.gz AMYRWGZKNZRFED-ZDUSSCGKSA-N -1 3 304.310 1.348 20 5 DDBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736140721 598756152 /nfs/dbraw/zinc/75/61/52/598756152.db2.gz AMYRWGZKNZRFED-ZDUSSCGKSA-N -1 3 304.310 1.348 20 5 DDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC000736292871 598757029 /nfs/dbraw/zinc/75/70/29/598757029.db2.gz MKUOFQSFPXJJPF-QMMMGPOBSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC000736292871 598757031 /nfs/dbraw/zinc/75/70/31/598757031.db2.gz MKUOFQSFPXJJPF-QMMMGPOBSA-N -1 3 306.351 1.717 20 5 DDBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000826450556 607523395 /nfs/dbraw/zinc/52/33/95/607523395.db2.gz RFGXEGQBUIZNCH-UHFFFAOYSA-N -1 3 308.685 1.777 20 5 DDBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000826450556 607523397 /nfs/dbraw/zinc/52/33/97/607523397.db2.gz RFGXEGQBUIZNCH-UHFFFAOYSA-N -1 3 308.685 1.777 20 5 DDBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000826151957 607543150 /nfs/dbraw/zinc/54/31/50/607543150.db2.gz MVDDYEHEWFODGJ-LBPRGKRZSA-N -1 3 304.310 1.612 20 5 DDBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000826151957 607543153 /nfs/dbraw/zinc/54/31/53/607543153.db2.gz MVDDYEHEWFODGJ-LBPRGKRZSA-N -1 3 304.310 1.612 20 5 DDBDHM C[C@H](NC(=O)[O-])C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000825288137 603705516 /nfs/dbraw/zinc/70/55/16/603705516.db2.gz MMBDOOZUIMLVGV-JTQLQIEISA-N -1 3 311.342 1.159 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc(F)n1 ZINC000826497787 607682175 /nfs/dbraw/zinc/68/21/75/607682175.db2.gz UTKCVTLABSIOOU-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc(F)n1 ZINC000826497787 607682176 /nfs/dbraw/zinc/68/21/76/607682176.db2.gz UTKCVTLABSIOOU-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@]2(CCOC2)C1 ZINC000823630018 606802458 /nfs/dbraw/zinc/80/24/58/606802458.db2.gz PVBATFDSSONWHC-AWEZNQCLSA-N -1 3 316.321 1.392 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@]2(CCOC2)C1 ZINC000823630018 606802460 /nfs/dbraw/zinc/80/24/60/606802460.db2.gz PVBATFDSSONWHC-AWEZNQCLSA-N -1 3 316.321 1.392 20 5 DDBDHM O=[N+]([O-])c1ncccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823651146 607007794 /nfs/dbraw/zinc/00/77/94/607007794.db2.gz GZIZVRKXMLQVAF-UHFFFAOYSA-N -1 3 316.252 1.888 20 5 DDBDHM O=[N+]([O-])c1ncccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823651146 607007796 /nfs/dbraw/zinc/00/77/96/607007796.db2.gz GZIZVRKXMLQVAF-UHFFFAOYSA-N -1 3 316.252 1.888 20 5 DDBDHM O=[N+]([O-])c1ccc(NCCc2cnccn2)c(-c2nnn[n-]2)c1 ZINC000826498736 608416028 /nfs/dbraw/zinc/41/60/28/608416028.db2.gz HOBCFKAVKFMUSE-UHFFFAOYSA-N -1 3 312.293 1.220 20 5 DDBDHM O=[N+]([O-])c1ccc(NCCc2cnccn2)c(-c2nn[n-]n2)c1 ZINC000826498736 608416029 /nfs/dbraw/zinc/41/60/29/608416029.db2.gz HOBCFKAVKFMUSE-UHFFFAOYSA-N -1 3 312.293 1.220 20 5 DDBDHM CN(CC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825915429 608440523 /nfs/dbraw/zinc/44/05/23/608440523.db2.gz ZJKWMFBKMBRZNZ-UHFFFAOYSA-N -1 3 318.337 1.638 20 5 DDBDHM CN(CC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825915429 608440525 /nfs/dbraw/zinc/44/05/25/608440525.db2.gz ZJKWMFBKMBRZNZ-UHFFFAOYSA-N -1 3 318.337 1.638 20 5 DDBDHM O=c1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc[nH]1 ZINC000826498655 608668895 /nfs/dbraw/zinc/66/88/95/608668895.db2.gz DNJALHSAIQGQOR-UHFFFAOYSA-N -1 3 313.277 1.488 20 5 DDBDHM O=c1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc[nH]1 ZINC000826498655 608668897 /nfs/dbraw/zinc/66/88/97/608668897.db2.gz DNJALHSAIQGQOR-UHFFFAOYSA-N -1 3 313.277 1.488 20 5 DDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824961817 609318567 /nfs/dbraw/zinc/31/85/67/609318567.db2.gz JHVKKFDGSKOAGD-XCBNKYQSSA-N -1 3 307.289 1.354 20 5 DDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824961817 609318569 /nfs/dbraw/zinc/31/85/69/609318569.db2.gz JHVKKFDGSKOAGD-XCBNKYQSSA-N -1 3 307.289 1.354 20 5 DDBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000784172025 698913806 /nfs/dbraw/zinc/91/38/06/698913806.db2.gz QAGCHXPCQSXBGB-UHFFFAOYSA-N -1 3 317.261 1.561 20 5 DDBDHM CC(C)(C)S(=O)(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853327266 704234528 /nfs/dbraw/zinc/23/45/28/704234528.db2.gz GPAMMRVCPPMXGK-UHFFFAOYSA-N -1 3 303.340 1.321 20 5 DDBDHM COc1cc(S(=O)(=O)[N-][C@@H](C)C(F)F)ccc1[N+](=O)[O-] ZINC000882870440 707829816 /nfs/dbraw/zinc/82/98/16/707829816.db2.gz 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O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](N2CCCC2)C1 ZINC000179474519 407793655 /nfs/dbraw/zinc/79/36/55/407793655.db2.gz QDOGWZJOQVSJMT-LBPRGKRZSA-N -1 3 305.334 1.611 20 5 DDBDHM CC(C)NC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272130465 407787461 /nfs/dbraw/zinc/78/74/61/407787461.db2.gz WKFRUHGFYNIREW-UHFFFAOYSA-N -1 3 315.276 1.327 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273271067 408134349 /nfs/dbraw/zinc/13/43/49/408134349.db2.gz RDTYVSMHJMWSER-UHFFFAOYSA-N -1 3 314.301 1.597 20 5 DDBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125324247 161869653 /nfs/dbraw/zinc/86/96/53/161869653.db2.gz KRBYYHQEGIKDAJ-VIFPVBQESA-N -1 3 322.408 1.652 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000157282468 408297332 /nfs/dbraw/zinc/29/73/32/408297332.db2.gz UAXKULQYEGODLJ-UHFFFAOYSA-N -1 3 314.363 1.344 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157721056 408312877 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CCOc1ccc(C(=O)[N-]c2nc(C)n(C)n2)cc1[N+](=O)[O-] ZINC000344508699 272043839 /nfs/dbraw/zinc/04/38/39/272043839.db2.gz DVXXSWLZSIUUSZ-UHFFFAOYSA-N -1 3 305.294 1.683 20 5 DDBDHM COC(=O)c1cc(C(=O)[N-]c2nc(C)n(C)n2)cc([N+](=O)[O-])c1 ZINC000344545912 272056605 /nfs/dbraw/zinc/05/66/05/272056605.db2.gz JSLATXBZTNFMQA-UHFFFAOYSA-N -1 3 319.277 1.071 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccn(C)n2)c1C ZINC000345551739 272279190 /nfs/dbraw/zinc/27/91/90/272279190.db2.gz ZHLDTYBRJRKJGK-UHFFFAOYSA-N -1 3 324.362 1.424 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1 ZINC000285917826 276376802 /nfs/dbraw/zinc/37/68/02/276376802.db2.gz GAHIGTPPIJNCKD-UHFFFAOYSA-N -1 3 320.309 1.430 20 5 DDBDHM CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)C1 ZINC000293617911 277160014 /nfs/dbraw/zinc/16/00/14/277160014.db2.gz DIFDDXMDVZTURX-OAHLLOKOSA-N -1 3 305.334 1.468 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000127799231 281286292 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Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000416671793 534211754 /nfs/dbraw/zinc/21/17/54/534211754.db2.gz XCNVSDCODJVOFL-WVSHTKLVSA-N -1 3 300.336 1.095 20 5 DDBDHM CCN1C[C@@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000445132748 527929714 /nfs/dbraw/zinc/92/97/14/527929714.db2.gz GYHZMFCAICFXRB-VHSXEESVSA-N -1 3 308.338 1.250 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822699091 599069980 /nfs/dbraw/zinc/06/99/80/599069980.db2.gz NWPRPGYQDVTJMO-UHFFFAOYSA-N -1 3 318.272 1.260 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822699091 599069981 /nfs/dbraw/zinc/06/99/81/599069981.db2.gz NWPRPGYQDVTJMO-UHFFFAOYSA-N -1 3 318.272 1.260 20 5 DDBDHM Cc1nc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)oc1C ZINC000737482550 598498415 /nfs/dbraw/zinc/49/84/15/598498415.db2.gz IBCMGXKQLOKUOL-UHFFFAOYSA-N -1 3 319.306 1.926 20 5 DDBDHM O=C([O-])NC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834220581 606028786 /nfs/dbraw/zinc/02/87/86/606028786.db2.gz OLZGOWUYKLYDCD-SMDDNHRTSA-N -1 3 323.349 1.608 20 5 DDBDHM O=[N+]([O-])c1cc(NCCc2ccccn2)ccc1-c1nnn[n-]1 ZINC000823634676 606644744 /nfs/dbraw/zinc/64/47/44/606644744.db2.gz JUHZGKVNWHKIHY-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM CN(C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821596882 606645388 /nfs/dbraw/zinc/64/53/88/606645388.db2.gz XNJIAQLSSOXECY-NSHDSACASA-N -1 3 318.337 1.780 20 5 DDBDHM CCOC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821369337 606645437 /nfs/dbraw/zinc/64/54/37/606645437.db2.gz ZHCRFZWWHAOCBE-UHFFFAOYSA-N -1 3 318.337 1.780 20 5 DDBDHM CC[C@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820903450 606723225 /nfs/dbraw/zinc/72/32/25/606723225.db2.gz UYCSISBCPGWCFT-SECBINFHSA-N -1 3 306.326 1.595 20 5 DDBDHM CC[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820903450 606723227 /nfs/dbraw/zinc/72/32/27/606723227.db2.gz UYCSISBCPGWCFT-SECBINFHSA-N -1 3 306.326 1.595 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CC(n3ccnc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639928 607017323 /nfs/dbraw/zinc/01/73/23/607017323.db2.gz MEEIZAAGKIYHCN-UHFFFAOYSA-N -1 3 312.293 1.033 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CC(n3ccnc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639928 607017324 /nfs/dbraw/zinc/01/73/24/607017324.db2.gz MEEIZAAGKIYHCN-UHFFFAOYSA-N -1 3 312.293 1.033 20 5 DDBDHM C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[S@](C)=O ZINC000820240532 607041387 /nfs/dbraw/zinc/04/13/87/607041387.db2.gz CGUIOFJURDLOKF-ZCAPAMDOSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[S@](C)=O ZINC000820240532 607041388 /nfs/dbraw/zinc/04/13/88/607041388.db2.gz CGUIOFJURDLOKF-ZCAPAMDOSA-N -1 3 324.366 1.344 20 5 DDBDHM Cc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822511041 607112118 /nfs/dbraw/zinc/11/21/18/607112118.db2.gz ZWPBKFOLDOBSLC-ZCFIWIBFSA-N -1 3 316.281 1.639 20 5 DDBDHM Cc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822511041 607112120 /nfs/dbraw/zinc/11/21/20/607112120.db2.gz ZWPBKFOLDOBSLC-ZCFIWIBFSA-N -1 3 316.281 1.639 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@@H]1C1CC1 ZINC000826497742 608077443 /nfs/dbraw/zinc/07/74/43/608077443.db2.gz SREYABLHKCZCIT-CYBMUJFWSA-N -1 3 316.321 1.390 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@@H]1C1CC1 ZINC000826497742 608077444 /nfs/dbraw/zinc/07/74/44/608077444.db2.gz SREYABLHKCZCIT-CYBMUJFWSA-N -1 3 316.321 1.390 20 5 DDBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824891911 608800377 /nfs/dbraw/zinc/80/03/77/608800377.db2.gz CEHJOYBAYNKCLE-BDAKNGLRSA-N -1 3 304.310 1.754 20 5 DDBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824891911 608800378 /nfs/dbraw/zinc/80/03/78/608800378.db2.gz CEHJOYBAYNKCLE-BDAKNGLRSA-N -1 3 304.310 1.754 20 5 DDBDHM CCCO[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000844079858 702968633 /nfs/dbraw/zinc/96/86/33/702968633.db2.gz CAOLRVJCXXTYRN-UHFFFAOYSA-N -1 3 323.305 1.741 20 5 DDBDHM O=C([N-][C@H]1CCCOC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581755 703565395 /nfs/dbraw/zinc/56/53/95/703565395.db2.gz QQVFHZLQUGUAEH-VIFPVBQESA-N -1 3 316.260 1.862 20 5 DDBDHM O=c1[n-]ccc(N2CCN(c3ccnc(F)c3)CC2)c1[N+](=O)[O-] ZINC000853662854 704295275 /nfs/dbraw/zinc/29/52/75/704295275.db2.gz UTWGLSBQPATZHI-UHFFFAOYSA-N -1 3 319.296 1.556 20 5 DDBDHM CCN1CCN(CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000910345658 709903717 /nfs/dbraw/zinc/90/37/17/709903717.db2.gz KVRMUARKWIOWTK-UHFFFAOYSA-N -1 3 322.365 1.342 20 5 DDBDHM COc1c([O-])ccc(CN2CC(F)(F)C[C@H]2CO)c1[N+](=O)[O-] ZINC000893865261 710862840 /nfs/dbraw/zinc/86/28/40/710862840.db2.gz CVVMBJKUWROQKY-VIFPVBQESA-N -1 3 318.276 1.511 20 5 DDBDHM COc1c([O-])ccc(CN2CC(F)(F)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000893865259 710862879 /nfs/dbraw/zinc/86/28/79/710862879.db2.gz CVVMBJKUWROQKY-SECBINFHSA-N -1 3 318.276 1.511 20 5 DDBDHM Cc1cc(N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC001059458669 740955866 /nfs/dbraw/zinc/95/58/66/740955866.db2.gz PVNRHYQDUKWFOZ-XYPYZODXSA-N -1 3 316.321 1.394 20 5 DDBDHM COc1c([O-])ccc(CN2CCCn3nncc3C2)c1[N+](=O)[O-] ZINC001183853410 743918692 /nfs/dbraw/zinc/91/86/92/743918692.db2.gz AFPFJNIEPISBNS-UHFFFAOYSA-N -1 3 319.321 1.306 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])s1 ZINC001188546088 744723988 /nfs/dbraw/zinc/72/39/88/744723988.db2.gz CKODAHBNNOXBRR-RNFRBKRXSA-N -1 3 308.381 1.402 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CSC ZINC001106666345 745884877 /nfs/dbraw/zinc/88/48/77/745884877.db2.gz SFAPINAEBUMDIX-UHFFFAOYSA-N -1 3 314.367 1.319 20 5 DDBDHM CSCC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095481349 749943206 /nfs/dbraw/zinc/94/32/06/749943206.db2.gz DIJWWMFPLZHMMO-UHFFFAOYSA-N -1 3 314.367 1.001 20 5 DDBDHM CC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001107441254 749962079 /nfs/dbraw/zinc/96/20/79/749962079.db2.gz AHKUILWMAGBNQH-NSCUHMNNSA-N -1 3 320.349 1.970 20 5 DDBDHM CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097251706 757035013 /nfs/dbraw/zinc/03/50/13/757035013.db2.gz IMCBEQXYOCVJSD-AOOOYVTPSA-N -1 3 320.349 1.945 20 5 DDBDHM CC[C@@H]1C(=O)NCCN1Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000822698864 758230836 /nfs/dbraw/zinc/23/08/36/758230836.db2.gz BXTYTCWSDNMRAQ-SNVBAGLBSA-N -1 3 309.322 1.019 20 5 DDBDHM COc1nc(NCc2ncccc2[O-])nc(OC)c1[N+](=O)[O-] ZINC001158774240 769486071 /nfs/dbraw/zinc/48/60/71/769486071.db2.gz HPNVHMPGKHXQNU-UHFFFAOYSA-N -1 3 307.266 1.115 20 5 DDBDHM CN(CCNC(=O)c1ccsc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099912543 774095040 /nfs/dbraw/zinc/09/50/40/774095040.db2.gz HDAALRIKGOHEJJ-UHFFFAOYSA-N -1 3 322.346 1.623 20 5 DDBDHM CN(CCNC(=O)CCC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099987615 775527089 /nfs/dbraw/zinc/52/70/89/775527089.db2.gz IBMVMVSVZASBGF-UHFFFAOYSA-N -1 3 308.338 1.438 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/CO)c(Cl)c1 ZINC000717439345 852026247 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DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(F)c1 ZINC000171540573 197938677 /nfs/dbraw/zinc/93/86/77/197938677.db2.gz INYXPMPJGRDDAR-MRVPVSSYSA-N -1 3 304.299 1.191 20 5 DDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000026856603 352211902 /nfs/dbraw/zinc/21/19/02/352211902.db2.gz BYCIUNDCWTZVPV-QMMMGPOBSA-N -1 3 321.786 1.477 20 5 DDBDHM COC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029939781 352247857 /nfs/dbraw/zinc/24/78/57/352247857.db2.gz YGELOJAOHHLZCN-ZETCQYMHSA-N -1 3 308.743 1.561 20 5 DDBDHM CCOCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048672298 352544997 /nfs/dbraw/zinc/54/49/97/352544997.db2.gz RKCYYMYRQVGQIR-UHFFFAOYSA-N -1 3 302.352 1.690 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccnc(C)n1 ZINC000056126642 352760741 /nfs/dbraw/zinc/76/07/41/352760741.db2.gz OPDDYUUVGPJMBC-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591653 355122847 /nfs/dbraw/zinc/12/28/47/355122847.db2.gz WDMFJJWRESLJIM-VIFPVBQESA-N -1 3 320.342 1.482 20 5 DDBDHM CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCN(C)C1 ZINC000592830166 355705737 /nfs/dbraw/zinc/70/57/37/355705737.db2.gz CRMZEGHEZVEMRW-GFCCVEGCSA-N -1 3 307.350 1.857 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)nc1 ZINC000593558635 355924737 /nfs/dbraw/zinc/92/47/37/355924737.db2.gz FBHOGJXGUJGZSU-SECBINFHSA-N -1 3 303.365 1.164 20 5 DDBDHM CN(CCN1CCCCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000593883443 356040201 /nfs/dbraw/zinc/04/02/01/356040201.db2.gz NWMLATUNOLAXRE-UHFFFAOYSA-N -1 3 307.350 1.858 20 5 DDBDHM Cc1c(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000595885645 356691037 /nfs/dbraw/zinc/69/10/37/356691037.db2.gz QYJRPOSZJJOGAM-IUODEOHRSA-N -1 3 306.318 1.436 20 5 DDBDHM CC(C)CN1CCO[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596058040 356756120 /nfs/dbraw/zinc/75/61/20/356756120.db2.gz BICKTEPHYLVGCW-LLVKDONJSA-N -1 3 310.354 1.464 20 5 DDBDHM CC(C)(C)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596076471 356764018 /nfs/dbraw/zinc/76/40/18/356764018.db2.gz RXHPHZRQKSPCHS-UHFFFAOYSA-N -1 3 308.338 1.390 20 5 DDBDHM COCCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596077135 356764402 /nfs/dbraw/zinc/76/44/02/356764402.db2.gz KWURMESTGVSVQQ-UHFFFAOYSA-N -1 3 320.305 1.728 20 5 DDBDHM Cc1nsc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596140890 356788958 /nfs/dbraw/zinc/78/89/58/356788958.db2.gz KNDJSEHQGXNGCW-UHFFFAOYSA-N -1 3 322.350 1.182 20 5 DDBDHM Cc1ccoc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596135105 356786441 /nfs/dbraw/zinc/78/64/41/356786441.db2.gz ROLNOCPNWJTBNX-UHFFFAOYSA-N -1 3 320.305 1.829 20 5 DDBDHM COc1cnc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC000347605235 283241436 /nfs/dbraw/zinc/24/14/36/283241436.db2.gz RJECKRPIXHVXHG-UHFFFAOYSA-N -1 3 304.262 1.654 20 5 DDBDHM CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000597857622 357359860 /nfs/dbraw/zinc/35/98/60/357359860.db2.gz GZEPIZWQQZRRFM-SNVBAGLBSA-N -1 3 307.350 1.903 20 5 DDBDHM CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597858788 357361393 /nfs/dbraw/zinc/36/13/93/357361393.db2.gz PABMNAKWDROZKN-NSHDSACASA-N -1 3 307.350 1.903 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601391245 358531434 /nfs/dbraw/zinc/53/14/34/358531434.db2.gz NHQBQCLRAVIUJH-KCJUWKMLSA-N -1 3 320.392 1.811 20 5 DDBDHM CC[C@]1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOC1 ZINC000601401876 358536461 /nfs/dbraw/zinc/53/64/61/358536461.db2.gz DKCIDLUWYSXXEC-NSHDSACASA-N -1 3 320.392 1.812 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CC2)c(F)c1 ZINC000611110334 360625248 /nfs/dbraw/zinc/62/52/48/360625248.db2.gz WMMTZWJJAKXSML-VIFPVBQESA-N -1 3 318.326 1.173 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ncn1 ZINC000611133862 360632606 /nfs/dbraw/zinc/63/26/06/360632606.db2.gz FWMIQJPMJVACSB-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM C[C@H](CN(C)c1ncnc2ccc([N+](=O)[O-])cc21)c1nnn[n-]1 ZINC000613892039 361621435 /nfs/dbraw/zinc/62/14/35/361621435.db2.gz FKXBXOGLYJMIBQ-MRVPVSSYSA-N -1 3 314.309 1.291 20 5 DDBDHM C[C@H](CN(C)c1ncnc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000613892039 361621438 /nfs/dbraw/zinc/62/14/38/361621438.db2.gz FKXBXOGLYJMIBQ-MRVPVSSYSA-N -1 3 314.309 1.291 20 5 DDBDHM CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619567076 364064104 /nfs/dbraw/zinc/06/41/04/364064104.db2.gz MTJNBCORYWQGJX-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000266233959 205203556 /nfs/dbraw/zinc/20/35/56/205203556.db2.gz UZWANJCVTCFFSO-RKDXNWHRSA-N -1 3 318.326 1.437 20 5 DDBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000336965572 249297841 /nfs/dbraw/zinc/29/78/41/249297841.db2.gz JGBIPDCQAPLEPX-UHFFFAOYSA-N -1 3 306.290 1.979 20 5 DDBDHM COC(=O)CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268898359 207066956 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CO ZINC000178915220 407654676 /nfs/dbraw/zinc/65/46/76/407654676.db2.gz OXIBDEKCKLTBFG-MNOVXSKESA-N -1 3 314.363 1.424 20 5 DDBDHM C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000261944516 407684222 /nfs/dbraw/zinc/68/42/22/407684222.db2.gz VHXVFQMLHVXIEK-NOZJJQNGSA-N -1 3 321.333 1.379 20 5 DDBDHM Cn1ncnc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181865883 408047888 /nfs/dbraw/zinc/04/78/88/408047888.db2.gz KBJKBTMAWGAGPW-UHFFFAOYSA-N -1 3 313.220 1.577 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCO)c1[N+](=O)[O-] ZINC000190000408 408142825 /nfs/dbraw/zinc/14/28/25/408142825.db2.gz MNNQBLIZDRZYHG-SNVBAGLBSA-N -1 3 302.352 1.261 20 5 DDBDHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000157422943 408303388 /nfs/dbraw/zinc/30/33/88/408303388.db2.gz UBLRPCSBDSNEGI-NEPJUHHUSA-N -1 3 319.361 1.999 20 5 DDBDHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000185269730 408790093 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CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c([O-])c1 ZINC000354469833 409880213 /nfs/dbraw/zinc/88/02/13/409880213.db2.gz ADJLGMIDOMWRGE-UHFFFAOYSA-N -1 3 320.261 1.453 20 5 DDBDHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000339123231 410062493 /nfs/dbraw/zinc/06/24/93/410062493.db2.gz ODIMQLFULIQAGE-UWVGGRQHSA-N -1 3 318.326 1.772 20 5 DDBDHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000298521245 410270873 /nfs/dbraw/zinc/27/08/73/410270873.db2.gz UTRQLSUJHDHIRH-OIBJUYFYSA-N -1 3 314.244 1.507 20 5 DDBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)o1 ZINC000353374470 410950893 /nfs/dbraw/zinc/95/08/93/410950893.db2.gz LQCYDSUUYLALBX-UHFFFAOYSA-N -1 3 310.287 1.844 20 5 DDBDHM CCOc1cc([O-])ccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000360564058 418466370 /nfs/dbraw/zinc/46/63/70/418466370.db2.gz UVSKIYKAGXETTH-UHFFFAOYSA-N -1 3 306.278 1.685 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC000428383031 419857434 /nfs/dbraw/zinc/85/74/34/419857434.db2.gz QOYVGMDITZYBEL-SECBINFHSA-N -1 3 324.305 1.030 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]CC(F)(F)CN)c1 ZINC000420429145 420279690 /nfs/dbraw/zinc/27/96/90/420279690.db2.gz TWXXIFYYOUPOEZ-UHFFFAOYSA-N -1 3 323.321 1.084 20 5 DDBDHM O=C(NCCNc1ccc([N+](=O)[O-])nc1)c1ccc([O-])cc1 ZINC000436857860 420376636 /nfs/dbraw/zinc/37/66/36/420376636.db2.gz LQARKANSQHMQBS-UHFFFAOYSA-N -1 3 302.290 1.537 20 5 DDBDHM CC(C)N1CC[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000457091918 420607969 /nfs/dbraw/zinc/60/79/69/420607969.db2.gz NCESVUBDLGOOMX-LBPRGKRZSA-N -1 3 307.350 1.855 20 5 DDBDHM CC1(C)COC[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450854489 420546095 /nfs/dbraw/zinc/54/60/95/420546095.db2.gz KSODYKXKVPHSNV-NSHDSACASA-N -1 3 304.306 2.482 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440366526 420571455 /nfs/dbraw/zinc/57/14/55/420571455.db2.gz RYZOJWQHPICJCF-UHFFFAOYSA-N -1 3 304.262 1.286 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000449430583 421010459 /nfs/dbraw/zinc/01/04/59/421010459.db2.gz BZKNDTNBZYKUSW-DJSGYFEHSA-N -1 3 322.361 1.662 20 5 DDBDHM O=[N+]([O-])c1c(Sc2n[n-]c(CO)n2)ccc2ncccc21 ZINC000527065376 421353028 /nfs/dbraw/zinc/35/30/28/421353028.db2.gz LOCLTPQQANVGTR-UHFFFAOYSA-N -1 3 303.303 1.905 20 5 DDBDHM O=C([N-]c1ncnn1-c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000564131201 421571226 /nfs/dbraw/zinc/57/12/26/421571226.db2.gz MCSPCHBTLATUMT-UHFFFAOYSA-N -1 3 310.273 1.245 20 5 DDBDHM C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000119039675 297258346 /nfs/dbraw/zinc/25/83/46/297258346.db2.gz QJVZXWJRPAUEBH-PWSUYJOCSA-N -1 3 307.350 1.855 20 5 DDBDHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248395273 300219792 /nfs/dbraw/zinc/21/97/92/300219792.db2.gz GDYOLSVFKMLGRO-CMPLNLGQSA-N -1 3 307.350 1.713 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000370170484 301288750 /nfs/dbraw/zinc/28/87/50/301288750.db2.gz CIZGZWOSZSZJMU-PWSUYJOCSA-N -1 3 305.334 1.467 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263413 301304567 /nfs/dbraw/zinc/30/45/67/301304567.db2.gz XOXPIIFZKQIUQI-PWSUYJOCSA-N -1 3 320.349 1.170 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263414 301304889 /nfs/dbraw/zinc/30/48/89/301304889.db2.gz XOXPIIFZKQIUQI-ZYHUDNBSSA-N -1 3 320.349 1.170 20 5 DDBDHM O=c1[n-]nc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000375334803 307222866 /nfs/dbraw/zinc/22/28/66/307222866.db2.gz CUFVQUZHOQKFGG-UHFFFAOYSA-N -1 3 310.339 1.186 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576179078 308295049 /nfs/dbraw/zinc/29/50/49/308295049.db2.gz GKAAGFPFCGYPOX-RNCFNFMXSA-N -1 3 318.333 1.327 20 5 DDBDHM COc1ccc([N-]C(=O)c2cn(CC3CC3)nn2)c([N+](=O)[O-])c1 ZINC000451081358 534174824 /nfs/dbraw/zinc/17/48/24/534174824.db2.gz KNVSVBDBAMIRQP-UHFFFAOYSA-N -1 3 317.305 1.857 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000157878894 522804712 /nfs/dbraw/zinc/80/47/12/522804712.db2.gz XJJQLFWWNAEGEA-VIFPVBQESA-N -1 3 322.770 1.688 20 5 DDBDHM CC/C=C\C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000451771443 528800850 /nfs/dbraw/zinc/80/08/50/528800850.db2.gz HMSHGYUGBHTJHJ-PLNGDYQASA-N -1 3 300.336 1.848 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295696294 529197941 /nfs/dbraw/zinc/19/79/41/529197941.db2.gz JPILNUJGYSAVIH-GMSGAONNSA-N -1 3 324.305 1.278 20 5 DDBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451976052 529237899 /nfs/dbraw/zinc/23/78/99/529237899.db2.gz MBOCJVUYLIDCHY-WCBMZHEXSA-N -1 3 322.408 1.793 20 5 DDBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000820462326 599043373 /nfs/dbraw/zinc/04/33/73/599043373.db2.gz XRLRZHKQVBDRHJ-RKDXNWHRSA-N -1 3 304.310 1.612 20 5 DDBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820462326 599043375 /nfs/dbraw/zinc/04/33/75/599043375.db2.gz XRLRZHKQVBDRHJ-RKDXNWHRSA-N -1 3 304.310 1.612 20 5 DDBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])o1 ZINC000738165945 598592877 /nfs/dbraw/zinc/59/28/77/598592877.db2.gz HYJZJVIYYBJYJU-UHFFFAOYSA-N -1 3 318.224 1.759 20 5 DDBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])o1 ZINC000738165945 598592878 /nfs/dbraw/zinc/59/28/78/598592878.db2.gz HYJZJVIYYBJYJU-UHFFFAOYSA-N -1 3 318.224 1.759 20 5 DDBDHM CCC(CC)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736337953 598679881 /nfs/dbraw/zinc/67/98/81/598679881.db2.gz NBRYNQRDCPHMMG-NSHDSACASA-N -1 3 321.341 1.379 20 5 DDBDHM CCC(CC)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736337953 598679884 /nfs/dbraw/zinc/67/98/84/598679884.db2.gz NBRYNQRDCPHMMG-NSHDSACASA-N -1 3 321.341 1.379 20 5 DDBDHM CCC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736419327 598774623 /nfs/dbraw/zinc/77/46/23/598774623.db2.gz KZZBPUWHYSLIGB-ZDUSSCGKSA-N -1 3 306.326 1.738 20 5 DDBDHM CCC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736419327 598774625 /nfs/dbraw/zinc/77/46/25/598774625.db2.gz KZZBPUWHYSLIGB-ZDUSSCGKSA-N -1 3 306.326 1.738 20 5 DDBDHM CC(C)(C)C[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819907883 607469342 /nfs/dbraw/zinc/46/93/42/607469342.db2.gz SAHOEYPSVPCHNW-SNVBAGLBSA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)C[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819907883 607469344 /nfs/dbraw/zinc/46/93/44/607469344.db2.gz SAHOEYPSVPCHNW-SNVBAGLBSA-N -1 3 320.353 1.984 20 5 DDBDHM C[C@@H]1COCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820814055 607469475 /nfs/dbraw/zinc/46/94/75/607469475.db2.gz QQQYKMZWEHJMNO-SECBINFHSA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@@H]1COCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820814055 607469476 /nfs/dbraw/zinc/46/94/76/607469476.db2.gz QQQYKMZWEHJMNO-SECBINFHSA-N -1 3 304.310 1.390 20 5 DDBDHM Nc1nc(Sc2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC000822907489 606945761 /nfs/dbraw/zinc/94/57/61/606945761.db2.gz PBKCBBAEAYCGQJ-UHFFFAOYSA-N -1 3 316.306 1.298 20 5 DDBDHM Nc1nc(Sc2cccc(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC000822907489 606945763 /nfs/dbraw/zinc/94/57/63/606945763.db2.gz PBKCBBAEAYCGQJ-UHFFFAOYSA-N -1 3 316.306 1.298 20 5 DDBDHM CCN1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910283415 709863981 /nfs/dbraw/zinc/86/39/81/709863981.db2.gz ZHRKATIYLLXRTA-LLVKDONJSA-N -1 3 307.350 1.857 20 5 DDBDHM Cc1nc(N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000910455788 709952515 /nfs/dbraw/zinc/95/25/15/709952515.db2.gz NOBRWBQKVRKLQE-JTQLQIEISA-N -1 3 308.338 1.283 20 5 DDBDHM C[C@H]1[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000928432588 713193326 /nfs/dbraw/zinc/19/33/26/713193326.db2.gz QVJPQQHAPVMZHB-OIBJUYFYSA-N -1 3 313.741 1.776 20 5 DDBDHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000928432577 713193362 /nfs/dbraw/zinc/19/33/62/713193362.db2.gz QVJPQQHAPVMZHB-GMSGAONNSA-N -1 3 313.741 1.776 20 5 DDBDHM COc1c([O-])ccc(CN(CC(F)F)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000894755152 711260759 /nfs/dbraw/zinc/26/07/59/711260759.db2.gz NEDBTMHQOCSWHG-MRVPVSSYSA-N -1 3 320.292 1.757 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN2C)c(F)cc1[N+](=O)[O-] ZINC000921411894 713760883 /nfs/dbraw/zinc/76/08/83/713760883.db2.gz BASITADRESGHOG-VIFPVBQESA-N -1 3 317.342 1.025 20 5 DDBDHM CCC1(C(=O)N(C)CCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001105547801 742109985 /nfs/dbraw/zinc/10/99/85/742109985.db2.gz KNQXJTOKZADGKK-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001064501223 754694457 /nfs/dbraw/zinc/69/44/57/754694457.db2.gz QBHRGZRAJAONMF-PHIMTYICSA-N -1 3 320.349 1.675 20 5 DDBDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001118996589 756883110 /nfs/dbraw/zinc/88/31/10/756883110.db2.gz PPXXTKUESLGAML-IUCAKERBSA-N -1 3 320.392 1.811 20 5 DDBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001109354631 763595372 /nfs/dbraw/zinc/59/53/72/763595372.db2.gz NCAARCYQVBFJBX-UHFFFAOYSA-N -1 3 314.317 1.704 20 5 DDBDHM CN(CCNC(=O)c1ccco1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099899866 773784845 /nfs/dbraw/zinc/78/48/45/773784845.db2.gz AAXWRPNJOBULTI-UHFFFAOYSA-N -1 3 306.278 1.155 20 5 DDBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1ccccc1[O-] ZINC001094338764 775725345 /nfs/dbraw/zinc/72/53/45/775725345.db2.gz PHQNKANTGQOHHJ-UHFFFAOYSA-N -1 3 316.317 1.927 20 5 DDBDHM O=C(NCCCNc1ccccc1[N+](=O)[O-])c1cnc[n-]c1=O ZINC001094642989 776163844 /nfs/dbraw/zinc/16/38/44/776163844.db2.gz JXLIEZUMJGKUOY-UHFFFAOYSA-N -1 3 317.305 1.322 20 5 DDBDHM Cc1ncc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(=O)[n-]1 ZINC001172906679 776917278 /nfs/dbraw/zinc/91/72/78/776917278.db2.gz OGBFNSAQCLQPDN-ZFWWWQNUSA-N -1 3 314.345 1.830 20 5 DDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001176775178 778233949 /nfs/dbraw/zinc/23/39/49/778233949.db2.gz PUWZIKDRHBWRNF-UHFFFAOYSA-N -1 3 322.350 1.264 20 5 DDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001176775178 778233953 /nfs/dbraw/zinc/23/39/53/778233953.db2.gz PUWZIKDRHBWRNF-UHFFFAOYSA-N -1 3 322.350 1.264 20 5 DDBDHM O=C(Nc1ccnn1[C@@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001179342702 779355623 /nfs/dbraw/zinc/35/56/23/779355623.db2.gz XPJNFMYQTKZUBW-SECBINFHSA-N -1 3 319.277 1.106 20 5 DDBDHM O=c1[n-]c(CNc2ncc([N+](=O)[O-])cc2F)nc2c1COCC2 ZINC001163967147 868832809 /nfs/dbraw/zinc/83/28/09/868832809.db2.gz IDYVFUFSAPFFOC-UHFFFAOYSA-N -1 3 321.268 1.309 20 5 DDBDHM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001164265628 869072973 /nfs/dbraw/zinc/07/29/73/869072973.db2.gz XAJJAJSZYSOFLK-LOKLDPHHSA-N -1 3 307.306 1.695 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001164374131 869164088 /nfs/dbraw/zinc/16/40/88/869164088.db2.gz INHQUOHHYRWDOM-JTQLQIEISA-N -1 3 314.305 1.462 20 5 DDBDHM Nc1c(C(=O)[N-]N2CCOC2=O)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001300867626 870962885 /nfs/dbraw/zinc/96/28/85/870962885.db2.gz USQFPUGMGQVPLU-UHFFFAOYSA-N -1 3 318.648 1.067 20 5 DDBDHM C[C@@H]1CCCN1c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001344703768 873086030 /nfs/dbraw/zinc/08/60/30/873086030.db2.gz ORVFSDIOKDCPFR-MRVPVSSYSA-N -1 3 304.310 1.480 20 5 DDBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cscn2)cc1 ZINC001208481187 874177419 /nfs/dbraw/zinc/17/74/19/874177419.db2.gz JODJNPYXJUFKHG-UHFFFAOYSA-N -1 3 313.360 1.572 20 5 DDBDHM COc1ccc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)c([N+](=O)[O-])c1 ZINC001248465677 893639707 /nfs/dbraw/zinc/63/97/07/893639707.db2.gz CHXVRIJOSQTVLR-UHFFFAOYSA-N -1 3 307.222 1.946 20 5 DDBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccccn2)c1 ZINC000154298287 290666118 /nfs/dbraw/zinc/66/61/18/290666118.db2.gz JNVGPOJSMPGJBW-UHFFFAOYSA-N -1 3 307.331 1.511 20 5 DDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000318307680 282405661 /nfs/dbraw/zinc/40/56/61/282405661.db2.gz OQYPLFMUZCJMFF-SNVBAGLBSA-N -1 3 306.322 1.363 20 5 DDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000160331051 290770523 /nfs/dbraw/zinc/77/05/23/290770523.db2.gz IQTDODKMVAPGOH-NSHDSACASA-N -1 3 316.379 1.915 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC000280108619 215382254 /nfs/dbraw/zinc/38/22/54/215382254.db2.gz BORULUUQIKFHRB-LLVKDONJSA-N -1 3 314.363 1.424 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000355721157 290983410 /nfs/dbraw/zinc/98/34/10/290983410.db2.gz DIMYKXAFUFIDQI-MNOVXSKESA-N -1 3 314.363 1.688 20 5 DDBDHM CCN(CC)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000076825470 353439770 /nfs/dbraw/zinc/43/97/70/353439770.db2.gz CTJCVYXMQZVDQG-UHFFFAOYSA-N -1 3 315.395 1.523 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000093817327 353905240 /nfs/dbraw/zinc/90/52/40/353905240.db2.gz VNMNNKDNQAUPFY-CYBMUJFWSA-N -1 3 321.377 1.455 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601313963 358491906 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DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000266359306 205291942 /nfs/dbraw/zinc/29/19/42/205291942.db2.gz YVGUVCADIXITCC-MRVPVSSYSA-N -1 3 318.376 1.387 20 5 DDBDHM C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000159398596 197350885 /nfs/dbraw/zinc/35/08/85/197350885.db2.gz UFAJVUMQYURDRE-QWRGUYRKSA-N -1 3 307.350 1.855 20 5 DDBDHM COCC(C)(C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000066936440 184440006 /nfs/dbraw/zinc/44/00/06/184440006.db2.gz KZURUAOZBGMQMQ-UHFFFAOYSA-N -1 3 302.352 1.607 20 5 DDBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352872005 285349939 /nfs/dbraw/zinc/34/99/39/285349939.db2.gz PTRAWPDYICFSHB-MNOVXSKESA-N -1 3 316.379 1.670 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249454912 304810113 /nfs/dbraw/zinc/81/01/13/304810113.db2.gz DFPGWGQKNFFVCE-UMNHJUIQSA-N -1 3 312.347 1.441 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CC1 ZINC000032415509 406948081 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COc1ccc(OCCN2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000262667430 407893908 /nfs/dbraw/zinc/89/39/08/407893908.db2.gz QBXOTUHXNCOPOD-UHFFFAOYSA-N -1 3 324.333 1.779 20 5 DDBDHM Cn1cnnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272594057 407997612 /nfs/dbraw/zinc/99/76/12/407997612.db2.gz UCCIQBORHSOISU-UHFFFAOYSA-N -1 3 311.248 1.132 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1O ZINC000136011538 408066534 /nfs/dbraw/zinc/06/65/34/408066534.db2.gz IIMUCSALDOOWRH-ZYHUDNBSSA-N -1 3 314.363 1.567 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000189783337 408107706 /nfs/dbraw/zinc/10/77/06/408107706.db2.gz FKDYLSZPBKAJNF-LLVKDONJSA-N -1 3 314.363 1.669 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189992892 408140738 /nfs/dbraw/zinc/14/07/38/408140738.db2.gz XZBXUENXHVUUSQ-CYBMUJFWSA-N -1 3 316.379 1.651 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCn2cccc2)c1C ZINC000121290761 408177922 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DDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000291824011 408928691 /nfs/dbraw/zinc/92/86/91/408928691.db2.gz FKCYOBVJEVWOPH-JTQLQIEISA-N -1 3 302.352 1.261 20 5 DDBDHM COc1cc(C(=O)[N-]c2nc(C)n(C)n2)cc([N+](=O)[O-])c1OC ZINC000293622614 409148864 /nfs/dbraw/zinc/14/88/64/409148864.db2.gz FVOIAUSVFXSCJG-UHFFFAOYSA-N -1 3 321.293 1.301 20 5 DDBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000285450469 409448832 /nfs/dbraw/zinc/44/88/32/409448832.db2.gz SONSSLMMBXTPBU-SSDOTTSWSA-N -1 3 311.323 1.061 20 5 DDBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000285450469 409448836 /nfs/dbraw/zinc/44/88/36/409448836.db2.gz SONSSLMMBXTPBU-SSDOTTSWSA-N -1 3 311.323 1.061 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000337936082 164075755 /nfs/dbraw/zinc/07/57/55/164075755.db2.gz JOBZFSFYKOCHHE-LLVKDONJSA-N -1 3 314.363 1.608 20 5 DDBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000296309316 409497376 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DDBDHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000360123685 411058075 /nfs/dbraw/zinc/05/80/75/411058075.db2.gz PQRMLYFEAGFZAT-UHFFFAOYSA-N -1 3 324.362 1.598 20 5 DDBDHM CCC[C@@]1(CO)CCN(C(=O)c2cc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000366453536 418475509 /nfs/dbraw/zinc/47/55/09/418475509.db2.gz OGIQQQNMQHKXSA-OAHLLOKOSA-N -1 3 323.349 1.629 20 5 DDBDHM CN(C(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)c1nncs1 ZINC000361298952 418621100 /nfs/dbraw/zinc/62/11/00/418621100.db2.gz KXAIFVSOPLTVIF-UHFFFAOYSA-N -1 3 304.291 1.599 20 5 DDBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1nncs1 ZINC000361298952 418621103 /nfs/dbraw/zinc/62/11/03/418621103.db2.gz KXAIFVSOPLTVIF-UHFFFAOYSA-N -1 3 304.291 1.599 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000365647244 418887267 /nfs/dbraw/zinc/88/72/67/418887267.db2.gz CCUJVAGKXRWPJG-UHFFFAOYSA-N -1 3 317.305 1.438 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000365647244 418887269 /nfs/dbraw/zinc/88/72/69/418887269.db2.gz CCUJVAGKXRWPJG-UHFFFAOYSA-N -1 3 317.305 1.438 20 5 DDBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000416558241 420417641 /nfs/dbraw/zinc/41/76/41/420417641.db2.gz LMENJECZUMTTHS-PWSUYJOCSA-N -1 3 314.363 1.749 20 5 DDBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416592782 420428528 /nfs/dbraw/zinc/42/85/28/420428528.db2.gz VUOAUJYLRCGEMY-SNVBAGLBSA-N -1 3 302.352 1.546 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000492378884 420540323 /nfs/dbraw/zinc/54/03/23/420540323.db2.gz URQNZJHXVRNGPH-IUCAKERBSA-N -1 3 320.392 1.402 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451978160 420617034 /nfs/dbraw/zinc/61/70/34/420617034.db2.gz OKUQMJHUEXGVLB-GFCCVEGCSA-N -1 3 314.363 1.607 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000447945340 420824356 /nfs/dbraw/zinc/82/43/56/420824356.db2.gz PXHADECKLYFYQC-MRVPVSSYSA-N -1 3 322.433 1.996 20 5 DDBDHM COc1cc(O)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000560478327 421270857 /nfs/dbraw/zinc/27/08/57/421270857.db2.gz UCSVUNMFKJICRK-UHFFFAOYSA-N -1 3 305.246 1.662 20 5 DDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCCF)OCCO2 ZINC000532260663 421653495 /nfs/dbraw/zinc/65/34/95/421653495.db2.gz SXMKTHSZOCKNHB-UHFFFAOYSA-N -1 3 320.298 1.004 20 5 DDBDHM COc1cc(C(=O)[N-]c2nnc(C)n2C)c([N+](=O)[O-])cc1OC ZINC000345380601 272235956 /nfs/dbraw/zinc/23/59/56/272235956.db2.gz RRNNPMOVMQHULB-UHFFFAOYSA-N -1 3 321.293 1.301 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC000274990534 290156313 /nfs/dbraw/zinc/15/63/13/290156313.db2.gz YVTSWQHEOJSUCI-ZWNOBZJWSA-N -1 3 305.334 1.467 20 5 DDBDHM COc1cccc(C(=O)[N-]c2nnc3n2CCCC3)c1[N+](=O)[O-] ZINC000194929143 295288964 /nfs/dbraw/zinc/28/89/64/295288964.db2.gz GFSNBDQGMFCKJW-UHFFFAOYSA-N -1 3 317.305 1.784 20 5 DDBDHM C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175775698 300217032 /nfs/dbraw/zinc/21/70/32/300217032.db2.gz ZJDCKBBZRMVTCU-JQWIXIFHSA-N -1 3 307.350 1.713 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000530792320 303212595 /nfs/dbraw/zinc/21/25/95/303212595.db2.gz BWJAAXNSVIUDLQ-ZDUSSCGKSA-N -1 3 318.333 1.156 20 5 DDBDHM O=C(Nc1cnc2c(c1)CNCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000367643190 307100184 /nfs/dbraw/zinc/10/01/84/307100184.db2.gz MIXJMMQYKBLZOI-UHFFFAOYSA-N -1 3 314.301 1.593 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000566717917 308061218 /nfs/dbraw/zinc/06/12/18/308061218.db2.gz XRKBJNVVTSXZSZ-SNVBAGLBSA-N -1 3 304.306 1.145 20 5 DDBDHM CO[C@@H]1C[C@H](CC(=O)[O-])N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000577380670 308383953 /nfs/dbraw/zinc/38/39/53/308383953.db2.gz HKRJPBMGDURUQF-TZMCWYRMSA-N -1 3 324.333 1.538 20 5 DDBDHM C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2c([O-])cccc21 ZINC000331869830 533956582 /nfs/dbraw/zinc/95/65/82/533956582.db2.gz APOWMONNKSDHGK-SECBINFHSA-N -1 3 317.305 1.432 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000491862067 528152420 /nfs/dbraw/zinc/15/24/20/528152420.db2.gz AOXHOUJVTJTOPA-LVDDQXARSA-N -1 3 316.317 1.236 20 5 DDBDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000451800728 529363215 /nfs/dbraw/zinc/36/32/15/529363215.db2.gz FDTVLBAQFCJKIN-GFCCVEGCSA-N -1 3 320.342 1.827 20 5 DDBDHM Cc1nnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822510838 607304776 /nfs/dbraw/zinc/30/47/76/607304776.db2.gz WYRCKOXFERBFKY-YFKPBYRVSA-N -1 3 317.269 1.034 20 5 DDBDHM Cc1nnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822510838 607304777 /nfs/dbraw/zinc/30/47/77/607304777.db2.gz WYRCKOXFERBFKY-YFKPBYRVSA-N -1 3 317.269 1.034 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000738368232 598244177 /nfs/dbraw/zinc/24/41/77/598244177.db2.gz AWHKMHOQVYNAMO-JTQLQIEISA-N -1 3 318.337 1.374 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000738368232 598244178 /nfs/dbraw/zinc/24/41/78/598244178.db2.gz AWHKMHOQVYNAMO-JTQLQIEISA-N -1 3 318.337 1.374 20 5 DDBDHM O=[N+]([O-])c1cc(NC[C@@H](O)c2ccco2)ccc1-c1nnn[n-]1 ZINC000823634433 607347138 /nfs/dbraw/zinc/34/71/38/607347138.db2.gz FJIIQCRULQUPEJ-LLVKDONJSA-N -1 3 316.277 1.513 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(CCO)CC1 ZINC000738358542 598387228 /nfs/dbraw/zinc/38/72/28/598387228.db2.gz MVIHBVQBIROTBO-UHFFFAOYSA-N -1 3 318.337 1.374 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(CCO)CC1 ZINC000738358542 598387229 /nfs/dbraw/zinc/38/72/29/598387229.db2.gz MVIHBVQBIROTBO-UHFFFAOYSA-N -1 3 318.337 1.374 20 5 DDBDHM CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736211669 598394474 /nfs/dbraw/zinc/39/44/74/598394474.db2.gz RLHJNWNAJPQHJT-UHFFFAOYSA-N -1 3 303.326 1.796 20 5 DDBDHM CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736211669 598394476 /nfs/dbraw/zinc/39/44/76/598394476.db2.gz RLHJNWNAJPQHJT-UHFFFAOYSA-N -1 3 303.326 1.796 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736334493 598774780 /nfs/dbraw/zinc/77/47/80/598774780.db2.gz WPPYMMDZMSPMTE-XPTSAGLGSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736334493 598774782 /nfs/dbraw/zinc/77/47/82/598774782.db2.gz WPPYMMDZMSPMTE-XPTSAGLGSA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)OC(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735623728 599347490 /nfs/dbraw/zinc/34/74/90/599347490.db2.gz LYWHATXMXUGHCJ-UHFFFAOYSA-N -1 3 320.309 1.529 20 5 DDBDHM CC(C)(C)OC(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735623728 599347493 /nfs/dbraw/zinc/34/74/93/599347493.db2.gz LYWHATXMXUGHCJ-UHFFFAOYSA-N -1 3 320.309 1.529 20 5 DDBDHM C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828473009 601812921 /nfs/dbraw/zinc/81/29/21/601812921.db2.gz UJKTWRJEJWXPLL-BXKDBHETSA-N -1 3 304.306 1.555 20 5 DDBDHM C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739186595 602785708 /nfs/dbraw/zinc/78/57/08/602785708.db2.gz SZFFRSAMMHVIRI-VXGBXAGGSA-N -1 3 323.349 1.952 20 5 DDBDHM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)[nH]3)n2)cc1 ZINC000826498522 607685703 /nfs/dbraw/zinc/68/57/03/607685703.db2.gz YSQGEGGONARZDX-UHFFFAOYSA-N -1 3 324.260 1.820 20 5 DDBDHM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)[nH]3)n2)cc1 ZINC000826498522 607685704 /nfs/dbraw/zinc/68/57/04/607685704.db2.gz YSQGEGGONARZDX-UHFFFAOYSA-N -1 3 324.260 1.820 20 5 DDBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000820769663 606645358 /nfs/dbraw/zinc/64/53/58/606645358.db2.gz VLNDHIBUDNYTLK-VIFPVBQESA-N -1 3 318.337 1.779 20 5 DDBDHM CCOC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821325459 606725970 /nfs/dbraw/zinc/72/59/70/606725970.db2.gz FQZNLBCADRUEOB-QMMMGPOBSA-N -1 3 320.309 1.529 20 5 DDBDHM CCOC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821325459 606725972 /nfs/dbraw/zinc/72/59/72/606725972.db2.gz FQZNLBCADRUEOB-QMMMGPOBSA-N -1 3 320.309 1.529 20 5 DDBDHM Cc1cc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822161993 606785484 /nfs/dbraw/zinc/78/54/84/606785484.db2.gz VZHVIOYMTHVWSL-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM Cc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822161993 606785486 /nfs/dbraw/zinc/78/54/86/606785486.db2.gz VZHVIOYMTHVWSL-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM C[C@H]1OCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC000820818947 607028826 /nfs/dbraw/zinc/02/88/26/607028826.db2.gz CUOIWSQZBDEECO-DTWKUNHWSA-N -1 3 304.310 1.389 20 5 DDBDHM C[C@H]1OCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC000820818947 607028828 /nfs/dbraw/zinc/02/88/28/607028828.db2.gz CUOIWSQZBDEECO-DTWKUNHWSA-N -1 3 304.310 1.389 20 5 DDBDHM CCOC(=O)CCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821330022 607174311 /nfs/dbraw/zinc/17/43/11/607174311.db2.gz BGOCVEQLRBJVHL-UHFFFAOYSA-N -1 3 320.309 1.164 20 5 DDBDHM CCOC(=O)CCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821330022 607174312 /nfs/dbraw/zinc/17/43/12/607174312.db2.gz BGOCVEQLRBJVHL-UHFFFAOYSA-N -1 3 320.309 1.164 20 5 DDBDHM C[C@H](CO)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824441709 607967355 /nfs/dbraw/zinc/96/73/55/607967355.db2.gz RHHUHIPPZYQBIR-VIFPVBQESA-N -1 3 306.326 1.595 20 5 DDBDHM C[C@H](CO)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824441709 607967356 /nfs/dbraw/zinc/96/73/56/607967356.db2.gz RHHUHIPPZYQBIR-VIFPVBQESA-N -1 3 306.326 1.595 20 5 DDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1nccc1[N+](=O)[O-] ZINC000826174085 608264563 /nfs/dbraw/zinc/26/45/63/608264563.db2.gz IHDKIGVQOBGVIL-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1nccc1[N+](=O)[O-] ZINC000826174085 608264564 /nfs/dbraw/zinc/26/45/64/608264564.db2.gz IHDKIGVQOBGVIL-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM C[C@@]1(O)CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824844254 608304935 /nfs/dbraw/zinc/30/49/35/608304935.db2.gz UCCYXJPIIKGYPJ-CYBMUJFWSA-N -1 3 304.310 1.126 20 5 DDBDHM C[C@@]1(O)CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824844254 608304936 /nfs/dbraw/zinc/30/49/36/608304936.db2.gz UCCYXJPIIKGYPJ-CYBMUJFWSA-N -1 3 304.310 1.126 20 5 DDBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000826500890 609581689 /nfs/dbraw/zinc/58/16/89/609581689.db2.gz QPWZIXRRXVKMSH-JTQLQIEISA-N -1 3 319.325 1.541 20 5 DDBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000826500890 609581690 /nfs/dbraw/zinc/58/16/90/609581690.db2.gz QPWZIXRRXVKMSH-JTQLQIEISA-N -1 3 319.325 1.541 20 5 DDBDHM O=C([N-]n1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000000183327 696005315 /nfs/dbraw/zinc/00/53/15/696005315.db2.gz QHFIXVNUSGULLF-UHFFFAOYSA-N -1 3 310.269 1.689 20 5 DDBDHM NC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nc1 ZINC000102834207 696611855 /nfs/dbraw/zinc/61/18/55/696611855.db2.gz VEWSBNSSGOCBGV-UHFFFAOYSA-N -1 3 322.227 1.619 20 5 DDBDHM O=C1[N-]C(=O)/C(=C/NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000193714372 697677677 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DDBDHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1[N-]c1ccn(CCO)n1 ZINC001185299156 744200827 /nfs/dbraw/zinc/20/08/27/744200827.db2.gz OHBJNEJELFLOSD-UHFFFAOYSA-N -1 3 320.231 1.280 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CC1 ZINC001106654958 745875782 /nfs/dbraw/zinc/87/57/82/745875782.db2.gz UXIKRMALRNZIIF-UHFFFAOYSA-N -1 3 308.338 1.756 20 5 DDBDHM CN(CCCNC(=O)CC1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095511948 749995094 /nfs/dbraw/zinc/99/50/94/749995094.db2.gz ZFAPFUDTBQTYSY-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM Cc1nc(C)c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001093542574 774815105 /nfs/dbraw/zinc/81/51/05/774815105.db2.gz IGCIJFLSJLNZPG-UHFFFAOYSA-N -1 3 321.293 1.142 20 5 DDBDHM Cc1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])co1 ZINC001094405705 775864292 /nfs/dbraw/zinc/86/42/92/775864292.db2.gz QDMNGQUCVQQSCE-UHFFFAOYSA-N -1 3 320.305 1.829 20 5 DDBDHM COC[C@@H](C)OC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689950 844363425 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COc1cc(CN(CC(=O)[O-])CC2CC2)c([N+](=O)[O-])cc1OC ZINC000593331926 355856224 /nfs/dbraw/zinc/85/62/24/355856224.db2.gz JDZUZWGYKYNFHY-UHFFFAOYSA-N -1 3 324.333 1.909 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC000593573411 355930217 /nfs/dbraw/zinc/93/02/17/355930217.db2.gz QSIGFSWGUGOTNG-MWLCHTKSSA-N -1 3 315.351 1.226 20 5 DDBDHM COc1ccc(OCCN2CC[C@@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000593749570 355985491 /nfs/dbraw/zinc/98/54/91/355985491.db2.gz AWIFAFPNEJTISE-CMPLNLGQSA-N -1 3 324.333 1.777 20 5 DDBDHM CCC(C)(C)N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000593946843 356070129 /nfs/dbraw/zinc/07/01/29/356070129.db2.gz LUDKSSILWZUFAU-UHFFFAOYSA-N -1 3 322.365 1.999 20 5 DDBDHM CC[C@@H](Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1)C(=O)OC ZINC000594651661 356275052 /nfs/dbraw/zinc/27/50/52/356275052.db2.gz FINZPJHXXKCLJU-VIFPVBQESA-N -1 3 320.305 1.623 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595360275 356464489 /nfs/dbraw/zinc/46/44/89/356464489.db2.gz CZMOWKYSNUAERX-UHFFFAOYSA-N -1 3 312.347 1.992 20 5 DDBDHM CN(C[C@H]1COc2ccccc2O1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596055521 356755186 /nfs/dbraw/zinc/75/51/86/356755186.db2.gz VWOIRXPBYFOMBH-JTQLQIEISA-N -1 3 317.301 1.972 20 5 DDBDHM O=c1[n-]ccc(N2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000596197220 356810134 /nfs/dbraw/zinc/81/01/34/356810134.db2.gz UVKFXSWNSBVMOY-UHFFFAOYSA-N -1 3 311.363 1.798 20 5 DDBDHM COC(=O)CCSCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128486 356783842 /nfs/dbraw/zinc/78/38/42/356783842.db2.gz LJLAFJYNAYJHCT-UHFFFAOYSA-N -1 3 301.324 1.404 20 5 DDBDHM COc1ccc([N-]C(=O)c2noc3c2COCC3)cc1[N+](=O)[O-] ZINC000598939820 357765144 /nfs/dbraw/zinc/76/51/44/357765144.db2.gz GVISJFWMCKGNHK-UHFFFAOYSA-N -1 3 319.273 1.916 20 5 DDBDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000179048227 198974403 /nfs/dbraw/zinc/97/44/03/198974403.db2.gz UWWVOEDWHGDGCW-UHFFFAOYSA-N -1 3 314.301 1.185 20 5 DDBDHM O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600836793 358329410 /nfs/dbraw/zinc/32/94/10/358329410.db2.gz CFALFRGMLKDFCU-NSHDSACASA-N -1 3 320.349 1.442 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000604562072 359771093 /nfs/dbraw/zinc/77/10/93/359771093.db2.gz JJIUPIVGHABMKG-UHFFFAOYSA-N -1 3 305.279 1.050 20 5 DDBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000188542271 200263809 /nfs/dbraw/zinc/26/38/09/200263809.db2.gz PJDMXRKWJSFDSG-WDEREUQCSA-N -1 3 316.379 1.913 20 5 DDBDHM CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000610161316 360387199 /nfs/dbraw/zinc/38/71/99/360387199.db2.gz AEDGFLOTAYHOPK-UHFFFAOYSA-N -1 3 311.319 1.624 20 5 DDBDHM CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613959030 361640618 /nfs/dbraw/zinc/64/06/18/361640618.db2.gz YKCQBIPLLCTZQU-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(C2CCC2)CC1 ZINC000265077297 204382334 /nfs/dbraw/zinc/38/23/34/204382334.db2.gz PJYNSRBSPDQQMX-UHFFFAOYSA-N -1 3 306.322 1.006 20 5 DDBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000135573960 248291159 /nfs/dbraw/zinc/29/11/59/248291159.db2.gz POSAGMSAPHIFHJ-UHFFFAOYSA-N -1 3 324.300 1.951 20 5 DDBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000135573960 248291165 /nfs/dbraw/zinc/29/11/65/248291165.db2.gz POSAGMSAPHIFHJ-UHFFFAOYSA-N -1 3 324.300 1.951 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)c1[N+](=O)[O-] ZINC000337131243 249358518 /nfs/dbraw/zinc/35/85/18/249358518.db2.gz JSWBORGNSYWNCD-UHFFFAOYSA-N -1 3 324.318 1.508 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2)c(F)c1 ZINC000055943003 184001200 /nfs/dbraw/zinc/00/12/00/184001200.db2.gz CETJRZWWYDKIPC-UHFFFAOYSA-N -1 3 311.294 1.607 20 5 DDBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352331523 284969480 /nfs/dbraw/zinc/96/94/80/284969480.db2.gz QWKWHULUXWUQGV-OIBJUYFYSA-N -1 3 320.367 1.764 20 5 DDBDHM O=C(CNc1ccccc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000352515737 285107057 /nfs/dbraw/zinc/10/70/57/285107057.db2.gz IFWJHGARTYNYMA-UHFFFAOYSA-N -1 3 302.290 1.424 20 5 DDBDHM CNc1c(C(=O)NCc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000352518311 285108974 /nfs/dbraw/zinc/10/89/74/285108974.db2.gz WQOAOUYIMGBFRF-UHFFFAOYSA-N -1 3 302.290 1.667 20 5 DDBDHM O=C([O-])[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568066299 304266071 /nfs/dbraw/zinc/26/60/71/304266071.db2.gz WNXWIKRLCQWHBE-NWDGAFQWSA-N -1 3 324.333 1.131 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H](C)CO)cc1C ZINC000120517495 195181680 /nfs/dbraw/zinc/18/16/80/195181680.db2.gz JKDZTBKIGDCTGT-WDEREUQCSA-N -1 3 316.379 1.507 20 5 DDBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000352897490 285371281 /nfs/dbraw/zinc/37/12/81/285371281.db2.gz PAFDQVKIACVKPT-RYUDHWBXSA-N -1 3 314.363 1.687 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccn2)c(F)c1 ZINC000055216420 407197743 /nfs/dbraw/zinc/19/77/43/407197743.db2.gz MLVUVOFYDGEXEU-UHFFFAOYSA-N -1 3 311.294 1.607 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000101577328 407311843 /nfs/dbraw/zinc/31/18/43/407311843.db2.gz DIUGBBBIHUICEP-NSHDSACASA-N -1 3 316.379 1.915 20 5 DDBDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124317122 407354408 /nfs/dbraw/zinc/35/44/08/407354408.db2.gz ZEDULVMTCNSYIE-JTQLQIEISA-N -1 3 308.381 1.404 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOC2)c(Cl)c1 ZINC000171540567 407699488 /nfs/dbraw/zinc/69/94/88/407699488.db2.gz KZFUTWCUZRJDEM-QMMMGPOBSA-N -1 3 320.754 1.706 20 5 DDBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000155604293 408185661 /nfs/dbraw/zinc/18/56/61/408185661.db2.gz HYSNCUWWFBGOFT-UHFFFAOYSA-N -1 3 319.358 1.352 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157720785 408312778 /nfs/dbraw/zinc/31/27/78/408312778.db2.gz POIOPKJWZUBKDM-PWSUYJOCSA-N -1 3 314.363 1.831 20 5 DDBDHM CC[C@@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000158909686 408371488 /nfs/dbraw/zinc/37/14/88/408371488.db2.gz NAFJMLLIPTYVOK-VIFPVBQESA-N -1 3 318.351 1.043 20 5 DDBDHM C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159252863 408394553 /nfs/dbraw/zinc/39/45/53/408394553.db2.gz PMHOHWQONKWAHN-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000162778521 408733280 /nfs/dbraw/zinc/73/32/80/408733280.db2.gz ORWXMBVYCIVGCL-PWSUYJOCSA-N -1 3 314.363 1.343 20 5 DDBDHM CO[C@H]1COC[C@@H]1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000290837841 408841743 /nfs/dbraw/zinc/84/17/43/408841743.db2.gz DEVUZOYLYPDALE-QWRGUYRKSA-N -1 3 316.260 1.217 20 5 DDBDHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286663658 408993941 /nfs/dbraw/zinc/99/39/41/408993941.db2.gz DLRPHIAHMGTKSC-UHFFFAOYSA-N -1 3 322.228 1.527 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000284041745 409263613 /nfs/dbraw/zinc/26/36/13/409263613.db2.gz RVLQPFKYUHAYHP-UHFFFAOYSA-N -1 3 300.336 1.442 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000342481914 409668582 /nfs/dbraw/zinc/66/85/82/409668582.db2.gz ATJNWNCUUHVDNQ-NSHDSACASA-N -1 3 320.392 1.812 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000342490941 409673036 /nfs/dbraw/zinc/67/30/36/409673036.db2.gz HGRKBXFHWMLOMP-ZCFIWIBFSA-N -1 3 317.348 1.992 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC000354489675 409891102 /nfs/dbraw/zinc/89/11/02/409891102.db2.gz GNKURVOYOMPYIH-CYBMUJFWSA-N -1 3 314.363 1.608 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000332465646 410178496 /nfs/dbraw/zinc/17/84/96/410178496.db2.gz KRFPOYKENPUCKQ-UHFFFAOYSA-N -1 3 300.336 1.097 20 5 DDBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=O)n1 ZINC000343590554 410556549 /nfs/dbraw/zinc/55/65/49/410556549.db2.gz WQDIUKWNTAHNLG-VIFPVBQESA-N -1 3 302.290 1.890 20 5 DDBDHM COC(=O)c1c(F)cccc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000355519275 410557968 /nfs/dbraw/zinc/55/79/68/410557968.db2.gz VTTJDIMYHUEIIF-UHFFFAOYSA-N -1 3 322.252 1.506 20 5 DDBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc2n(n1)CCO2 ZINC000366018563 418417978 /nfs/dbraw/zinc/41/79/78/418417978.db2.gz VBQZCPQLYGAWLF-UHFFFAOYSA-N -1 3 306.253 1.884 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cnn(C)c1 ZINC000360474028 418444140 /nfs/dbraw/zinc/44/41/40/418444140.db2.gz MNTXWMNSQSSABK-ZETCQYMHSA-N -1 3 316.364 1.429 20 5 DDBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000221106779 418561788 /nfs/dbraw/zinc/56/17/88/418561788.db2.gz NTTPTWOUKJJJTF-UHFFFAOYSA-N -1 3 302.352 1.423 20 5 DDBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000418110982 419540025 /nfs/dbraw/zinc/54/00/25/419540025.db2.gz KGESZPHNGHOCRE-RYUDHWBXSA-N -1 3 309.366 1.187 20 5 DDBDHM CC[C@@H](O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000420722194 420369068 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-1 3 309.307 1.347 20 5 DDBDHM CC[C@@H](CN1CCCC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556703 360759245 /nfs/dbraw/zinc/75/92/45/360759245.db2.gz OCAGCGWETQWUOG-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613959031 361640970 /nfs/dbraw/zinc/64/09/70/361640970.db2.gz YKCQBIPLLCTZQU-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM COc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195103584 201340419 /nfs/dbraw/zinc/34/04/19/201340419.db2.gz WLRKGLRSAZGEJY-UHFFFAOYSA-N -1 3 315.285 1.907 20 5 DDBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1=CCN(C)CC1 ZINC000274939634 296105239 /nfs/dbraw/zinc/10/52/39/296105239.db2.gz PGNKWGADMNFJPH-SNVBAGLBSA-N -1 3 305.334 1.681 20 5 DDBDHM COc1ccc(OCCN2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262679801 203377259 /nfs/dbraw/zinc/37/72/59/203377259.db2.gz SGYKEFNCELQIAD-NSHDSACASA-N -1 3 324.333 1.779 20 5 DDBDHM COc1ccc(OCCN2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262690724 203382156 /nfs/dbraw/zinc/38/21/56/203382156.db2.gz ZEPNQIOZTKADBW-SNVBAGLBSA-N -1 3 310.306 1.389 20 5 DDBDHM CN(CC1CCN(C)CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160265287 197396858 /nfs/dbraw/zinc/39/68/58/197396858.db2.gz RUTKDKKVWGJQEU-UHFFFAOYSA-N -1 3 307.350 1.714 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000567100839 304197618 /nfs/dbraw/zinc/19/76/18/304197618.db2.gz OEJHJDUTRFZVEQ-UHFFFAOYSA-N -1 3 318.289 1.594 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000567100839 304197619 /nfs/dbraw/zinc/19/76/19/304197619.db2.gz OEJHJDUTRFZVEQ-UHFFFAOYSA-N -1 3 318.289 1.594 20 5 DDBDHM C[C@@H](CO)N1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339116766 250301391 /nfs/dbraw/zinc/30/13/91/250301391.db2.gz BCWQEHFEBFOJOR-LBPRGKRZSA-N -1 3 309.366 1.189 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000339121637 250303911 /nfs/dbraw/zinc/30/39/11/250303911.db2.gz WBWQOIWJKLBBIZ-ZJUUUORDSA-N -1 3 318.326 1.772 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(COC)s2)n1 ZINC000340819386 251227971 /nfs/dbraw/zinc/22/79/71/251227971.db2.gz OYQCEHFUYRKYGN-UHFFFAOYSA-N -1 3 311.323 1.666 20 5 DDBDHM O=C(COc1ccccc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000352509927 285101244 /nfs/dbraw/zinc/10/12/44/285101244.db2.gz QNAIRFYUJIUFKA-UHFFFAOYSA-N -1 3 303.274 1.391 20 5 DDBDHM CN1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000157112218 197163261 /nfs/dbraw/zinc/16/32/61/197163261.db2.gz YTZMFEFYPDBVCK-UHFFFAOYSA-N -1 3 317.342 1.106 20 5 DDBDHM Cc1[nH]ncc1CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156674309 197132519 /nfs/dbraw/zinc/13/25/19/197132519.db2.gz XISVQGMEVLHMKB-UHFFFAOYSA-N -1 3 304.306 1.695 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1 ZINC000121798797 195349388 /nfs/dbraw/zinc/34/93/88/195349388.db2.gz UJOLVIIXSFYQFT-GHMZBOCLSA-N -1 3 314.363 1.424 20 5 DDBDHM O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000123092273 407319014 /nfs/dbraw/zinc/31/90/14/407319014.db2.gz NYLRACWRWBLHOJ-UHFFFAOYSA-N -1 3 308.338 1.301 20 5 DDBDHM CCN(CC)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122651244 407307225 /nfs/dbraw/zinc/30/72/25/407307225.db2.gz VBYACCRLNNNDDW-UHFFFAOYSA-N -1 3 321.424 1.585 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124488350 407359514 /nfs/dbraw/zinc/35/95/14/407359514.db2.gz LNQPXJLVNZNVKP-MRVPVSSYSA-N -1 3 308.381 1.404 20 5 DDBDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124392617 407357079 /nfs/dbraw/zinc/35/70/79/407357079.db2.gz SMFFVGPLNNMLMJ-XVKPBYJWSA-N -1 3 322.408 1.650 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(Cl)c1 ZINC000171540564 407697767 /nfs/dbraw/zinc/69/77/67/407697767.db2.gz KZFUTWCUZRJDEM-MRVPVSSYSA-N -1 3 320.754 1.706 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOC(C)C ZINC000186586549 407709027 /nfs/dbraw/zinc/70/90/27/407709027.db2.gz MNSKAQHBIXYCKH-UHFFFAOYSA-N -1 3 302.352 1.607 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272493317 407946599 /nfs/dbraw/zinc/94/65/99/407946599.db2.gz CPQSZZCAQHMBKT-HZMBPMFUSA-N -1 3 305.334 1.467 20 5 DDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000190750477 408313461 /nfs/dbraw/zinc/31/34/61/408313461.db2.gz IECDQPVWKOVFMZ-MRVPVSSYSA-N -1 3 322.770 1.870 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C[C@@H](C)O ZINC000228202785 163340471 /nfs/dbraw/zinc/34/04/71/163340471.db2.gz JOQLVAOZCKDHLA-RKDXNWHRSA-N -1 3 318.351 1.041 20 5 DDBDHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228203200 163340648 /nfs/dbraw/zinc/34/06/48/163340648.db2.gz FAYYLANTNNEOTE-HTQZYQBOSA-N -1 3 322.770 1.686 20 5 DDBDHM C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286905161 409000602 /nfs/dbraw/zinc/00/06/02/409000602.db2.gz COQKFBNTQHFMGI-WCQYABFASA-N -1 3 319.361 1.999 20 5 DDBDHM CC(C)(O)CO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000279162855 409160776 /nfs/dbraw/zinc/16/07/76/409160776.db2.gz IJCUEHLUYVQTDZ-UHFFFAOYSA-N -1 3 311.338 1.606 20 5 DDBDHM Cc1c(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000284241253 409302824 /nfs/dbraw/zinc/30/28/24/409302824.db2.gz KWWRTCCLNNLOMS-GFCCVEGCSA-N -1 3 318.333 1.959 20 5 DDBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295230893 409389184 /nfs/dbraw/zinc/38/91/84/409389184.db2.gz IIWAGXPSEIETCB-UHFFFAOYSA-N -1 3 302.352 1.282 20 5 DDBDHM CN1CC[C@]2(CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000319682208 409896193 /nfs/dbraw/zinc/89/61/93/409896193.db2.gz QZWWOVMGLPVMEV-AWEZNQCLSA-N -1 3 306.322 1.220 20 5 DDBDHM CS[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330460757 410707921 /nfs/dbraw/zinc/70/79/21/410707921.db2.gz VZQMDXVCVOLYNS-KBPBESRZSA-N -1 3 311.407 1.778 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330607531 410825028 /nfs/dbraw/zinc/82/50/28/410825028.db2.gz PFTOIKQTJBQXKI-MNOVXSKESA-N -1 3 314.363 1.749 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000343961646 410850773 /nfs/dbraw/zinc/85/07/73/410850773.db2.gz JJPBIUVCCPEAFP-JTQLQIEISA-N -1 3 300.336 1.300 20 5 DDBDHM COc1ccc([N-]C(=O)c2ccc(OC)nn2)c([N+](=O)[O-])c1 ZINC000348265274 410882908 /nfs/dbraw/zinc/88/29/08/410882908.db2.gz FNURZPIHDRGQTD-UHFFFAOYSA-N -1 3 304.262 1.654 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC(C)(C)O ZINC000295587228 225019428 /nfs/dbraw/zinc/01/94/28/225019428.db2.gz WFDFGYTVOBZTPH-JTQLQIEISA-N -1 3 316.379 1.731 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc2ccccn2n1 ZINC000427391479 419653490 /nfs/dbraw/zinc/65/34/90/419653490.db2.gz QNOHORMCJBHBEI-UHFFFAOYSA-N -1 3 313.273 1.898 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000432315129 229094528 /nfs/dbraw/zinc/09/45/28/229094528.db2.gz TVZMDQMOKITMII-UHFFFAOYSA-N -1 3 314.363 1.343 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000440351112 229787511 /nfs/dbraw/zinc/78/75/11/229787511.db2.gz CCMDAQUECUARHR-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c([O-])cccc1O ZINC000436647971 420351738 /nfs/dbraw/zinc/35/17/38/420351738.db2.gz OFARSOJMLHZCCP-UHFFFAOYSA-N -1 3 318.285 1.945 20 5 DDBDHM CC(C)(C)c1ccc(C(=O)[N-]N2CCCNC2=O)cc1[N+](=O)[O-] ZINC000273098635 277266936 /nfs/dbraw/zinc/26/69/36/277266936.db2.gz PIRXSAGLXXXZRE-UHFFFAOYSA-N -1 3 320.349 1.952 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC000428388484 302048126 /nfs/dbraw/zinc/04/81/26/302048126.db2.gz IWHMQESLZVDYNM-MRVPVSSYSA-N -1 3 324.305 1.198 20 5 DDBDHM CCc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC000531311399 303239252 /nfs/dbraw/zinc/23/92/52/303239252.db2.gz TZAHVGWTFOKMPZ-LBPRGKRZSA-N -1 3 318.333 1.399 20 5 DDBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573378896 308238941 /nfs/dbraw/zinc/23/89/41/308238941.db2.gz XRTOFNVQEKWZIC-WDEREUQCSA-N -1 3 316.379 1.670 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](CCO)C1 ZINC000738357105 598244007 /nfs/dbraw/zinc/24/40/07/598244007.db2.gz BJWDRPZKZFQFPS-JTQLQIEISA-N -1 3 318.337 1.374 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](CCO)C1 ZINC000738357105 598244010 /nfs/dbraw/zinc/24/40/10/598244010.db2.gz BJWDRPZKZFQFPS-JTQLQIEISA-N -1 3 318.337 1.374 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736333261 598774439 /nfs/dbraw/zinc/77/44/39/598774439.db2.gz UXZWGHRLZJYPCI-AMIZOPFISA-N -1 3 321.341 1.379 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736333261 598774442 /nfs/dbraw/zinc/77/44/42/598774442.db2.gz UXZWGHRLZJYPCI-AMIZOPFISA-N -1 3 321.341 1.379 20 5 DDBDHM CC[C@H](C)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736334491 598774618 /nfs/dbraw/zinc/77/46/18/598774618.db2.gz WPPYMMDZMSPMTE-LKFCYVNXSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736334491 598774620 /nfs/dbraw/zinc/77/46/20/598774620.db2.gz WPPYMMDZMSPMTE-LKFCYVNXSA-N -1 3 320.353 1.984 20 5 DDBDHM C[C@H]1C[C@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736230830 599323388 /nfs/dbraw/zinc/32/33/88/599323388.db2.gz VXDAAZVYBKUJRM-IUCAKERBSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@H]1C[C@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736230830 599323390 /nfs/dbraw/zinc/32/33/90/599323390.db2.gz VXDAAZVYBKUJRM-IUCAKERBSA-N -1 3 303.326 1.652 20 5 DDBDHM CC(C)(C)[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735589844 599349323 /nfs/dbraw/zinc/34/93/23/599349323.db2.gz PTCYCQADXKHIPM-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)(C)[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735589844 599349325 /nfs/dbraw/zinc/34/93/25/599349325.db2.gz PTCYCQADXKHIPM-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@H]1CSCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736299779 599535006 /nfs/dbraw/zinc/53/50/06/599535006.db2.gz URYBMOCNQLXVDY-QMMMGPOBSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@H]1CSCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736299779 599535009 /nfs/dbraw/zinc/53/50/09/599535009.db2.gz URYBMOCNQLXVDY-QMMMGPOBSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@H]1CSCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736295932 599535607 /nfs/dbraw/zinc/53/56/07/599535607.db2.gz CDUDUOLMVPVEKW-QMMMGPOBSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@H]1CSCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736295932 599535605 /nfs/dbraw/zinc/53/56/05/599535605.db2.gz CDUDUOLMVPVEKW-QMMMGPOBSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(=O)[O-] ZINC000828457065 601500300 /nfs/dbraw/zinc/50/03/00/601500300.db2.gz QKIJASLPHZPOFA-TVQRCGJNSA-N -1 3 322.317 1.614 20 5 DDBDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000825196161 603705579 /nfs/dbraw/zinc/70/55/79/603705579.db2.gz YTMRINGGJTYQCQ-MNOVXSKESA-N -1 3 311.342 1.302 20 5 DDBDHM CN(Cc1nccs1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821617798 606044776 /nfs/dbraw/zinc/04/47/76/606044776.db2.gz BVJSQSOIOJGGRI-UHFFFAOYSA-N -1 3 317.334 1.868 20 5 DDBDHM CN(Cc1nccs1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821617798 606044779 /nfs/dbraw/zinc/04/47/79/606044779.db2.gz BVJSQSOIOJGGRI-UHFFFAOYSA-N -1 3 317.334 1.868 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CCCO)C1CC1 ZINC000823629710 606644090 /nfs/dbraw/zinc/64/40/90/606644090.db2.gz FNDBPFRQSWXWKW-UHFFFAOYSA-N -1 3 304.310 1.126 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CCCO)C1CC1 ZINC000823629710 606644091 /nfs/dbraw/zinc/64/40/91/606644091.db2.gz FNDBPFRQSWXWKW-UHFFFAOYSA-N -1 3 304.310 1.126 20 5 DDBDHM CN(Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825998958 607848261 /nfs/dbraw/zinc/84/82/61/607848261.db2.gz HHLLZUIBAJCBET-UHFFFAOYSA-N -1 3 318.272 1.204 20 5 DDBDHM C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824899812 608802209 /nfs/dbraw/zinc/80/22/09/608802209.db2.gz ORNDHASYFPZESE-SFYZADRCSA-N -1 3 305.298 1.149 20 5 DDBDHM C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824899812 608802210 /nfs/dbraw/zinc/80/22/10/608802210.db2.gz ORNDHASYFPZESE-SFYZADRCSA-N -1 3 305.298 1.149 20 5 DDBDHM O=[N+]([O-])c1ccc(NCC[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498897 609603687 /nfs/dbraw/zinc/60/36/87/609603687.db2.gz NNYKDRULADEUDP-VIFPVBQESA-N -1 3 304.310 1.613 20 5 DDBDHM O=[N+]([O-])c1ccc(NCC[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498897 609603689 /nfs/dbraw/zinc/60/36/89/609603689.db2.gz NNYKDRULADEUDP-VIFPVBQESA-N -1 3 304.310 1.613 20 5 DDBDHM O=C(NN1CC(=O)[N-]C1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025612712 696092437 /nfs/dbraw/zinc/09/24/37/696092437.db2.gz OIQGBKQHLXJXGY-UHFFFAOYSA-N -1 3 320.286 1.006 20 5 DDBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCCC1=O ZINC000780706055 698552178 /nfs/dbraw/zinc/55/21/78/698552178.db2.gz ILUUQGVXQYPCAH-UHFFFAOYSA-N -1 3 309.347 1.974 20 5 DDBDHM COc1ccc(CC(=O)[N-]OC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000788120267 699280685 /nfs/dbraw/zinc/28/06/85/699280685.db2.gz VRXFYOBHJGWDNH-LLVKDONJSA-N -1 3 310.306 1.230 20 5 DDBDHM COCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737005382 699735946 /nfs/dbraw/zinc/73/59/46/699735946.db2.gz BQMYAOLJYKBEEW-UHFFFAOYSA-N -1 3 315.293 1.381 20 5 DDBDHM COCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737005382 699735948 /nfs/dbraw/zinc/73/59/48/699735948.db2.gz BQMYAOLJYKBEEW-UHFFFAOYSA-N -1 3 315.293 1.381 20 5 DDBDHM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000795302127 699856909 /nfs/dbraw/zinc/85/69/09/699856909.db2.gz KQYAEZHCEQSGBX-UHFFFAOYSA-N -1 3 316.273 1.886 20 5 DDBDHM O=C([N-]c1nn2cnnc2s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768691666 701196549 /nfs/dbraw/zinc/19/65/49/701196549.db2.gz WHQUQXCYJCNZAQ-UHFFFAOYSA-N -1 3 324.709 2.000 20 5 DDBDHM O=c1[n-]ccc(N2CCc3cc(Cl)nnc3C2)c1[N+](=O)[O-] ZINC000853707785 704302690 /nfs/dbraw/zinc/30/26/90/704302690.db2.gz UCSUKSNWYUWNBX-UHFFFAOYSA-N -1 3 307.697 1.702 20 5 DDBDHM CC(C)[C@@H](CO)O[N-]C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000836897641 707543280 /nfs/dbraw/zinc/54/32/80/707543280.db2.gz HUYNKTKOZIWTRR-CYBMUJFWSA-N -1 3 312.322 1.428 20 5 DDBDHM O=c1[n-]ccc(N2CC[C@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000884727068 708366448 /nfs/dbraw/zinc/36/64/48/708366448.db2.gz KSULUPCMWOCDPX-JTQLQIEISA-N -1 3 307.228 1.447 20 5 DDBDHM COc1c([O-])ccc(CN2CC[C@@H](O)C(F)(F)C2)c1[N+](=O)[O-] ZINC000895337700 711488439 /nfs/dbraw/zinc/48/84/39/711488439.db2.gz JOHUKTPMOYLBRM-SNVBAGLBSA-N -1 3 318.276 1.511 20 5 DDBDHM Cn1ccc([C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC000895641949 711567132 /nfs/dbraw/zinc/56/71/32/711567132.db2.gz URJZHQXRUXEHRU-JTQLQIEISA-N -1 3 303.322 1.813 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)(C)O ZINC001212017523 741945509 /nfs/dbraw/zinc/94/55/09/741945509.db2.gz FAWMPKYTJZPWDK-VIFPVBQESA-N -1 3 322.408 1.793 20 5 DDBDHM COC(=O)CN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C1CC1 ZINC001181372279 743169988 /nfs/dbraw/zinc/16/99/88/743169988.db2.gz HQXZTLUHAJTFEN-UHFFFAOYSA-N -1 3 310.306 1.446 20 5 DDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187283786 744534023 /nfs/dbraw/zinc/53/40/23/744534023.db2.gz YLSLLQKOLBDMQI-QMMMGPOBSA-N -1 3 306.315 1.092 20 5 DDBDHM NCc1nc(=O)[n-]n1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157934347 767391422 /nfs/dbraw/zinc/39/14/22/767391422.db2.gz VCPAFABKOXNWLK-UHFFFAOYSA-N -1 3 320.696 1.541 20 5 DDBDHM O=C(N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001068617970 767457560 /nfs/dbraw/zinc/45/75/60/767457560.db2.gz AFCYRDIHOHRMEB-MGCOHNPYSA-N -1 3 316.321 1.333 20 5 DDBDHM CCc1ncoc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094126565 775461129 /nfs/dbraw/zinc/46/11/29/775461129.db2.gz OAFWKSIDRZIQRC-UHFFFAOYSA-N -1 3 321.293 1.088 20 5 DDBDHM CCc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001094246719 775584360 /nfs/dbraw/zinc/58/43/60/775584360.db2.gz RMVMVUQYNNFTSI-UHFFFAOYSA-N -1 3 320.305 1.693 20 5 DDBDHM C/C=C(/C)C(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100487719 776223643 /nfs/dbraw/zinc/22/36/43/776223643.db2.gz AYDLCRSWKMYSJG-WMZJFQQLSA-N -1 3 308.338 1.604 20 5 DDBDHM CCOc1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001156284340 862904088 /nfs/dbraw/zinc/90/40/88/862904088.db2.gz GTJGMVPARAUXPD-VIFPVBQESA-N -1 3 307.310 1.312 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)nc1 ZINC001328710060 863163574 /nfs/dbraw/zinc/16/35/74/863163574.db2.gz NXPHHHHLROYPJD-BDAKNGLRSA-N -1 3 303.315 1.549 20 5 DDBDHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc([N+](=O)[O-])c1 ZINC001164337606 869133877 /nfs/dbraw/zinc/13/38/77/869133877.db2.gz CXOOVZUGVGAGJX-UHFFFAOYSA-N -1 3 320.330 1.618 20 5 DDBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC001309623094 871584116 /nfs/dbraw/zinc/58/41/16/871584116.db2.gz PCECYCUJULKPPX-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@H](C)O)c([N+](=O)[O-])s1 ZINC001309922084 871609145 /nfs/dbraw/zinc/60/91/45/871609145.db2.gz DFMSUMMLSVTYHT-QMMMGPOBSA-N -1 3 322.408 1.650 20 5 DDBDHM COc1cnc(=O)[n-]c1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001226827228 882673637 /nfs/dbraw/zinc/67/36/37/882673637.db2.gz BSCSREILBLWLDV-ZETCQYMHSA-N -1 3 309.282 1.071 20 5 DDBDHM COc1cnc(=O)[n-]c1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001226827223 882673861 /nfs/dbraw/zinc/67/38/61/882673861.db2.gz BSCSREILBLWLDV-SSDOTTSWSA-N -1 3 309.282 1.071 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC001213670418 876017802 /nfs/dbraw/zinc/01/78/02/876017802.db2.gz BSGPDCKZVCEZES-SNVBAGLBSA-N -1 3 322.346 1.733 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(OC2CCN(C)CC2)cc1[O-] ZINC001228812106 883684868 /nfs/dbraw/zinc/68/48/68/883684868.db2.gz UFJBFZWRZOWFDD-UHFFFAOYSA-N -1 3 310.306 1.560 20 5 DDBDHM CN(CCNC(=O)c1nccs1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001263220730 900537970 /nfs/dbraw/zinc/53/79/70/900537970.db2.gz QAWJLJHIQAYCFG-UHFFFAOYSA-N -1 3 323.334 1.018 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]CCSC)cc1[N+](=O)[O-] ZINC000614534591 361911655 /nfs/dbraw/zinc/91/16/55/361911655.db2.gz MKLLKOJXKWGZMW-UHFFFAOYSA-N -1 3 324.355 1.384 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1 ZINC000252701181 282211302 /nfs/dbraw/zinc/21/13/02/282211302.db2.gz CLBNZLBYZAANBH-MGCOHNPYSA-N -1 3 300.336 1.177 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)CO)c1C ZINC000159696435 186136528 /nfs/dbraw/zinc/13/65/28/186136528.db2.gz KTFGIVJDSOKZGM-MRVPVSSYSA-N -1 3 302.352 1.118 20 5 DDBDHM C[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000330605428 297258392 /nfs/dbraw/zinc/25/83/92/297258392.db2.gz HPBKVMZVOSBLBM-MNOVXSKESA-N -1 3 307.350 1.855 20 5 DDBDHM O=C(Nc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000024153803 352187853 /nfs/dbraw/zinc/18/78/53/352187853.db2.gz BXBGBKBRJLQSGU-UHFFFAOYSA-N -1 3 317.257 1.307 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000032474305 352280614 /nfs/dbraw/zinc/28/06/14/352280614.db2.gz LAGMUWDFKZJKEH-RKDXNWHRSA-N -1 3 300.336 1.538 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H]1CCCO1 ZINC000046034104 352433088 /nfs/dbraw/zinc/43/30/88/352433088.db2.gz FTONSSYGDUCANW-ZYHUDNBSSA-N -1 3 314.363 1.749 20 5 DDBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000157942734 354227610 /nfs/dbraw/zinc/22/76/10/354227610.db2.gz TWEWVOUHULCDNH-SECBINFHSA-N -1 3 304.393 1.933 20 5 DDBDHM CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000318757539 354517303 /nfs/dbraw/zinc/51/73/03/354517303.db2.gz YMWUZWVGWOSQCB-LBPRGKRZSA-N -1 3 307.350 1.857 20 5 DDBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590590824 355122182 /nfs/dbraw/zinc/12/21/82/355122182.db2.gz DLLJJCQJGYGBQZ-SECBINFHSA-N -1 3 320.342 1.746 20 5 DDBDHM CC1CCN(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000592969474 355758486 /nfs/dbraw/zinc/75/84/86/355758486.db2.gz SKHWBZFSQSUKBO-UHFFFAOYSA-N -1 3 308.338 1.832 20 5 DDBDHM Cc1c(-c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)cccc1[N+](=O)[O-] ZINC000593301737 355849234 /nfs/dbraw/zinc/84/92/34/355849234.db2.gz IGROMKUXDWPZBY-SECBINFHSA-N -1 3 324.318 1.317 20 5 DDBDHM Cc1cc(-c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)cc([N+](=O)[O-])c1 ZINC000593303073 355850245 /nfs/dbraw/zinc/85/02/45/355850245.db2.gz ZGLFIHVGQJMGOD-JTQLQIEISA-N -1 3 324.318 1.317 20 5 DDBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000593606399 355940256 /nfs/dbraw/zinc/94/02/56/355940256.db2.gz FAEHUZLBIILSQO-VIFPVBQESA-N -1 3 315.351 1.226 20 5 DDBDHM CSCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578994 355933209 /nfs/dbraw/zinc/93/32/09/355933209.db2.gz PNCQEBVOMAXTOX-UHFFFAOYSA-N -1 3 319.408 1.801 20 5 DDBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000593582828 355933636 /nfs/dbraw/zinc/93/36/36/355933636.db2.gz SCTMSDOEHBLMQZ-LLVKDONJSA-N -1 3 317.367 1.329 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C2(C)CC=CC2)c([N+](=O)[O-])c1 ZINC000594475521 356229518 /nfs/dbraw/zinc/22/95/18/356229518.db2.gz VBKVBPMAVQVJRK-UHFFFAOYSA-N -1 3 312.347 1.990 20 5 DDBDHM O=C([O-])[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000594734080 356300824 /nfs/dbraw/zinc/30/08/24/356300824.db2.gz NYBYKJBVAAETAM-MGPQQGTHSA-N -1 3 322.365 1.757 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000565256479 304058875 /nfs/dbraw/zinc/05/88/75/304058875.db2.gz ZQVZBUVRWANHHA-STQMWFEESA-N -1 3 324.333 1.667 20 5 DDBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000595932363 356710489 /nfs/dbraw/zinc/71/04/89/356710489.db2.gz NFKLCTBVXHDTQK-MRVPVSSYSA-N -1 3 317.305 1.353 20 5 DDBDHM Cc1cc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)ccc1[N+](=O)[O-] ZINC000596252164 356833256 /nfs/dbraw/zinc/83/32/56/356833256.db2.gz GDUIUMBVQBURSN-LBPRGKRZSA-N -1 3 302.338 1.786 20 5 DDBDHM O=c1[n-]ccc(N2CCN(c3ccc(F)cn3)CC2)c1[N+](=O)[O-] ZINC000596187161 356806243 /nfs/dbraw/zinc/80/62/43/356806243.db2.gz ZEDZUDOARGLPFX-UHFFFAOYSA-N -1 3 319.296 1.556 20 5 DDBDHM CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000597857621 357360337 /nfs/dbraw/zinc/36/03/37/357360337.db2.gz GZEPIZWQQZRRFM-JTQLQIEISA-N -1 3 307.350 1.903 20 5 DDBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN(CC)C1 ZINC000598038458 357437159 /nfs/dbraw/zinc/43/71/59/357437159.db2.gz DEIBXIOZGRNTCM-LLVKDONJSA-N -1 3 307.350 1.857 20 5 DDBDHM O=c1[n-]ccc(NC[C@H]2CCCN2CC(F)F)c1[N+](=O)[O-] ZINC000599134193 357825485 /nfs/dbraw/zinc/82/54/85/357825485.db2.gz RZXOJLBOYCEUAH-MRVPVSSYSA-N -1 3 302.281 1.837 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2c[nH]cn2)c1C ZINC000599356576 357907421 /nfs/dbraw/zinc/90/74/21/357907421.db2.gz MWQALUQNFNOQBW-UHFFFAOYSA-N -1 3 310.335 1.413 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000601361003 358516413 /nfs/dbraw/zinc/51/64/13/358516413.db2.gz AQAXUEBVVLVLAI-VIFPVBQESA-N -1 3 322.408 1.914 20 5 DDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601399569 358536262 /nfs/dbraw/zinc/53/62/62/358536262.db2.gz IZNHHHLEWCDCLE-MRVPVSSYSA-N -1 3 306.315 1.356 20 5 DDBDHM C[C@H]1CCNC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193407638 201048434 /nfs/dbraw/zinc/04/84/34/201048434.db2.gz WSQAGDWVZYWXJI-WCBMZHEXSA-N -1 3 317.342 1.010 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000613476926 361434907 /nfs/dbraw/zinc/43/49/07/361434907.db2.gz BZISELZWSSUWKW-UHFFFAOYSA-N -1 3 308.381 1.262 20 5 DDBDHM COCC[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000281541589 216371933 /nfs/dbraw/zinc/37/19/33/216371933.db2.gz JTRLFGBXMVZIBT-JTQLQIEISA-N -1 3 318.276 1.200 20 5 DDBDHM COc1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC000091329539 193041541 /nfs/dbraw/zinc/04/15/41/193041541.db2.gz YWOOPZBJYQQKBP-UHFFFAOYSA-N -1 3 311.681 1.155 20 5 DDBDHM O=c1[n-]c(=O)n(Cc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000091329434 193041635 /nfs/dbraw/zinc/04/16/35/193041635.db2.gz XUKDQBHPNSFDRG-UHFFFAOYSA-N -1 3 316.100 1.800 20 5 DDBDHM CCC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275136244 212142554 /nfs/dbraw/zinc/14/25/54/212142554.db2.gz CPTHOOBMWXAINU-UHFFFAOYSA-N -1 3 306.727 1.506 20 5 DDBDHM COC(=O)c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])[n-]1 ZINC000340561964 251114227 /nfs/dbraw/zinc/11/42/27/251114227.db2.gz CWNMMNUDNLVTCY-UHFFFAOYSA-N -1 3 315.285 1.912 20 5 DDBDHM C[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120292880 195136964 /nfs/dbraw/zinc/13/69/64/195136964.db2.gz BDQPGLRVCPXSGO-ZETCQYMHSA-N -1 3 308.743 1.297 20 5 DDBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158018512 197236519 /nfs/dbraw/zinc/23/65/19/197236519.db2.gz GHMCDFNLTWMIHI-MFKMUULPSA-N -1 3 307.350 1.713 20 5 DDBDHM CC[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC ZINC000289694026 221160422 /nfs/dbraw/zinc/16/04/22/221160422.db2.gz XRECFXXYQSLARZ-NSHDSACASA-N -1 3 302.352 1.439 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000029939638 406928838 /nfs/dbraw/zinc/92/88/38/406928838.db2.gz KWPOHWMODADDPN-VIFPVBQESA-N -1 3 320.754 1.706 20 5 DDBDHM CCC(O)(CC)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000087041370 407116158 /nfs/dbraw/zinc/11/61/58/407116158.db2.gz DDNPOADRNPPGIO-UHFFFAOYSA-N -1 3 316.379 1.565 20 5 DDBDHM CCCCN(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000112364055 407427352 /nfs/dbraw/zinc/42/73/52/407427352.db2.gz MGHBACVZLOHPFP-UHFFFAOYSA-N -1 3 321.424 1.667 20 5 DDBDHM CC(C)[C@H]1CN(C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185706681 407482707 /nfs/dbraw/zinc/48/27/07/407482707.db2.gz VSZXEHAUDPPJOV-GFCCVEGCSA-N -1 3 308.338 1.108 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCF)c2ncccc12 ZINC000185861068 407522629 /nfs/dbraw/zinc/52/26/29/407522629.db2.gz ZEJASMNRHRJNHW-UHFFFAOYSA-N -1 3 313.310 1.781 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000227644273 407635104 /nfs/dbraw/zinc/63/51/04/407635104.db2.gz WGMKHXCIOURVKG-UHFFFAOYSA-N -1 3 314.363 1.424 20 5 DDBDHM Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c([O-])c1C ZINC000129923448 407637481 /nfs/dbraw/zinc/63/74/81/407637481.db2.gz MVWBJXIAKFMDOH-UHFFFAOYSA-N -1 3 304.306 1.544 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H](C)O)cc1C ZINC000228073323 407642575 /nfs/dbraw/zinc/64/25/75/407642575.db2.gz FLZVBYJCIUZKIG-NSHDSACASA-N -1 3 316.379 1.651 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CO ZINC000178915206 407655689 /nfs/dbraw/zinc/65/56/89/407655689.db2.gz OXIBDEKCKLTBFG-GHMZBOCLSA-N -1 3 314.363 1.424 20 5 DDBDHM CC(C)[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272249216 407833527 /nfs/dbraw/zinc/83/35/27/407833527.db2.gz YXZIWXQEDHGQAD-LLVKDONJSA-N -1 3 302.277 1.820 20 5 DDBDHM O=C(Nc1cnn(CC2CC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000173188031 407868606 /nfs/dbraw/zinc/86/86/06/407868606.db2.gz NCBLCGLRDHFZGS-UHFFFAOYSA-N -1 3 303.278 1.554 20 5 DDBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1=CCN(C)CC1 ZINC000273035512 408027161 /nfs/dbraw/zinc/02/71/61/408027161.db2.gz VLZGJMDJFMOYEX-SNVBAGLBSA-N -1 3 305.334 1.681 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)O)c1C ZINC000154342967 408020805 /nfs/dbraw/zinc/02/08/05/408020805.db2.gz QYHXNSPWZPJODT-VIFPVBQESA-N -1 3 302.352 1.261 20 5 DDBDHM CCN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151138839 408263360 /nfs/dbraw/zinc/26/33/60/408263360.db2.gz ITYAEHJSPLWQHE-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000265649981 408730785 /nfs/dbraw/zinc/73/07/85/408730785.db2.gz MZHFONRPDBAIBT-VIFPVBQESA-N -1 3 318.351 1.307 20 5 DDBDHM CCC[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(N)=O ZINC000286205444 408941465 /nfs/dbraw/zinc/94/14/65/408941465.db2.gz AZEUTWNEUQWWGD-LURJTMIESA-N -1 3 321.380 1.126 20 5 DDBDHM COc1c(C(=O)NCc2cnc(C)[n-]c2=O)cccc1[N+](=O)[O-] ZINC000356709787 409537898 /nfs/dbraw/zinc/53/78/98/409537898.db2.gz ZJCMJHWIJQTGDH-UHFFFAOYSA-N -1 3 318.289 1.337 20 5 DDBDHM Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000350581121 409967446 /nfs/dbraw/zinc/96/74/46/409967446.db2.gz PPGMBYIMRNUKKA-UHFFFAOYSA-N -1 3 301.262 1.904 20 5 DDBDHM Cc1ncsc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354610737 409968500 /nfs/dbraw/zinc/96/85/00/409968500.db2.gz AIWHHYIEDAPYGP-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM COc1cc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)ccc1[O-] ZINC000350608266 409968668 /nfs/dbraw/zinc/96/86/68/409968668.db2.gz KCKWNQNEVBMICR-UHFFFAOYSA-N -1 3 317.261 1.760 20 5 DDBDHM O=[N+]([O-])c1cnn(Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000350480489 409950694 /nfs/dbraw/zinc/95/06/94/409950694.db2.gz IXAFRDXFEWYGEF-UHFFFAOYSA-N -1 3 312.249 1.161 20 5 DDBDHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330829442 410896079 /nfs/dbraw/zinc/89/60/79/410896079.db2.gz TXWVUFAOOMCYKW-STQMWFEESA-N -1 3 314.363 1.424 20 5 DDBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416606415 225001404 /nfs/dbraw/zinc/00/14/04/225001404.db2.gz NSQSHXLLFRHRKU-MXWKQRLJSA-N -1 3 314.363 1.687 20 5 DDBDHM Cc1cc(C(=O)N2CCOCC(F)(F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366509841 418483110 /nfs/dbraw/zinc/48/31/10/418483110.db2.gz DJXLNLARSOEXDM-UHFFFAOYSA-N -1 3 317.248 1.112 20 5 DDBDHM C[C@@H](CN(C)c1ncnc2cccc([N+](=O)[O-])c21)c1nnn[n-]1 ZINC000360967108 418556835 /nfs/dbraw/zinc/55/68/35/418556835.db2.gz XBBOPQDGSKVYGM-QMMMGPOBSA-N -1 3 314.309 1.291 20 5 DDBDHM C[C@@H](CN(C)c1ncnc2cccc([N+](=O)[O-])c21)c1nn[n-]n1 ZINC000360967108 418556839 /nfs/dbraw/zinc/55/68/39/418556839.db2.gz XBBOPQDGSKVYGM-QMMMGPOBSA-N -1 3 314.309 1.291 20 5 DDBDHM CCn1ccnc1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000346374340 418637398 /nfs/dbraw/zinc/63/73/98/418637398.db2.gz JZDVNNYSQMQXTN-UHFFFAOYSA-N -1 3 314.305 2.473 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000416531639 420408780 /nfs/dbraw/zinc/40/87/80/420408780.db2.gz HARXWPMPVKQZQP-GHMZBOCLSA-N -1 3 314.363 1.749 20 5 DDBDHM C[C@@H]1CCNC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000193410552 287626141 /nfs/dbraw/zinc/62/61/41/287626141.db2.gz NUQIRBHVJBTTJA-SCZZXKLOSA-N -1 3 317.342 1.010 20 5 DDBDHM Cn1cccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000439231797 420500688 /nfs/dbraw/zinc/50/06/88/420500688.db2.gz WFAPDCUXGSKUCD-UHFFFAOYSA-N -1 3 301.349 1.473 20 5 DDBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000457079137 420603770 /nfs/dbraw/zinc/60/37/70/420603770.db2.gz BMVVEUAGPIJMJU-LLVKDONJSA-N -1 3 307.350 1.855 20 5 DDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000548369115 421429493 /nfs/dbraw/zinc/42/94/93/421429493.db2.gz PZNUKKPWFBQTEI-NSHDSACASA-N -1 3 313.379 1.357 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000522336527 421824276 /nfs/dbraw/zinc/82/42/76/421824276.db2.gz DXHMEMZDIRDDNT-LLVKDONJSA-N -1 3 305.294 1.228 20 5 DDBDHM O=C([N-]c1ccncc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000344485362 272035821 /nfs/dbraw/zinc/03/58/21/272035821.db2.gz WANKUYQKGPSYJZ-UHFFFAOYSA-N -1 3 319.248 1.574 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000344944733 272142906 /nfs/dbraw/zinc/14/29/06/272142906.db2.gz DAYTZSDWQJTAJM-UHFFFAOYSA-N -1 3 318.376 1.590 20 5 DDBDHM COc1ccc([N+](=O)[O-])c(C(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000345093043 272170677 /nfs/dbraw/zinc/17/06/77/272170677.db2.gz LPQQOISLRAGEAB-UHFFFAOYSA-N -1 3 318.289 1.337 20 5 DDBDHM CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000345850557 272349753 /nfs/dbraw/zinc/34/97/53/272349753.db2.gz LEXQMVQLYDZXLS-MNOVXSKESA-N -1 3 323.349 1.313 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](O)Cc2ccccc21 ZINC000447714358 275015369 /nfs/dbraw/zinc/01/53/69/275015369.db2.gz LHZXXSQNMPYTNU-LLVKDONJSA-N -1 3 315.285 1.259 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(O)CCCCC1 ZINC000087041966 281016936 /nfs/dbraw/zinc/01/69/36/281016936.db2.gz YJSLKQAGPOZZTC-UHFFFAOYSA-N -1 3 314.363 1.568 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)CCOCC1 ZINC000161003157 302047449 /nfs/dbraw/zinc/04/74/49/302047449.db2.gz VJFXDGXGDBYDSR-UHFFFAOYSA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ncccc1[O-] ZINC000360010574 306970982 /nfs/dbraw/zinc/97/09/82/306970982.db2.gz IAEXJKHRUJZOTD-UHFFFAOYSA-N -1 3 323.330 1.482 20 5 DDBDHM Cc1cc(C(=O)N2CCC[C@]23CCOC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370743437 307134978 /nfs/dbraw/zinc/13/49/78/307134978.db2.gz YOUFHBVXGLRXJX-CQSZACIVSA-N -1 3 307.306 1.399 20 5 DDBDHM C[C@@H]1C[C@@H](N2CCCC2)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576163539 308293574 /nfs/dbraw/zinc/29/35/74/308293574.db2.gz TWBNQVHWUSHKEY-GHMZBOCLSA-N -1 3 320.349 1.751 20 5 DDBDHM CCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])COC1 ZINC000451954821 527750605 /nfs/dbraw/zinc/75/06/05/527750605.db2.gz YFIQJKYNUMEBCN-UHFFFAOYSA-N -1 3 300.336 1.300 20 5 DDBDHM CCC[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821023390 599104636 /nfs/dbraw/zinc/10/46/36/599104636.db2.gz ZJEVFXOKIOZLML-JTQLQIEISA-N -1 3 320.353 1.986 20 5 DDBDHM CCC[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821023390 599104638 /nfs/dbraw/zinc/10/46/38/599104638.db2.gz ZJEVFXOKIOZLML-JTQLQIEISA-N -1 3 320.353 1.986 20 5 DDBDHM CCC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821023391 599104801 /nfs/dbraw/zinc/10/48/01/599104801.db2.gz ZJEVFXOKIOZLML-SNVBAGLBSA-N -1 3 320.353 1.986 20 5 DDBDHM CCC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821023391 599104802 /nfs/dbraw/zinc/10/48/02/599104802.db2.gz ZJEVFXOKIOZLML-SNVBAGLBSA-N -1 3 320.353 1.986 20 5 DDBDHM CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)[O-] ZINC000819781881 597677481 /nfs/dbraw/zinc/67/74/81/597677481.db2.gz YSRZQAHDRKBHAR-NSHDSACASA-N -1 3 323.349 1.314 20 5 DDBDHM CN(C[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821597950 607347824 /nfs/dbraw/zinc/34/78/24/607347824.db2.gz LZGFPAXQKRFRRZ-VIFPVBQESA-N -1 3 304.310 1.248 20 5 DDBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823634515 599410836 /nfs/dbraw/zinc/41/08/36/599410836.db2.gz JCNRPKWCLQVQKW-UHFFFAOYSA-N -1 3 300.278 1.658 20 5 DDBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823634515 599410839 /nfs/dbraw/zinc/41/08/39/599410839.db2.gz JCNRPKWCLQVQKW-UHFFFAOYSA-N -1 3 300.278 1.658 20 5 DDBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821678766 599687649 /nfs/dbraw/zinc/68/76/49/599687649.db2.gz RXCQOBZEZKTTRB-SNVBAGLBSA-N -1 3 307.314 1.253 20 5 DDBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821678766 599687650 /nfs/dbraw/zinc/68/76/50/599687650.db2.gz RXCQOBZEZKTTRB-SNVBAGLBSA-N -1 3 307.314 1.253 20 5 DDBDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000825263219 604212461 /nfs/dbraw/zinc/21/24/61/604212461.db2.gz FOYSTCLQFLZMFD-QWRGUYRKSA-N -1 3 311.342 1.159 20 5 DDBDHM CCCN(CC(=O)[O-])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000829473217 604472998 /nfs/dbraw/zinc/47/29/98/604472998.db2.gz OWVUHYIOEULKRH-UHFFFAOYSA-N -1 3 310.306 1.663 20 5 DDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000822649972 606214018 /nfs/dbraw/zinc/21/40/18/606214018.db2.gz OBJLMKJZQBIRBA-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000822649972 606214019 /nfs/dbraw/zinc/21/40/19/606214019.db2.gz OBJLMKJZQBIRBA-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1(CO)CCCC1 ZINC000823629613 606227526 /nfs/dbraw/zinc/22/75/26/606227526.db2.gz BSIOLVCIQMCLIT-UHFFFAOYSA-N -1 3 304.310 1.492 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1(CO)CCCC1 ZINC000823629613 606227527 /nfs/dbraw/zinc/22/75/27/606227527.db2.gz BSIOLVCIQMCLIT-UHFFFAOYSA-N -1 3 304.310 1.492 20 5 DDBDHM C[C@@](CO)(Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000820281815 606831126 /nfs/dbraw/zinc/83/11/26/606831126.db2.gz YGNDZCKNFOCPQG-ZDUSSCGKSA-N -1 3 304.310 1.348 20 5 DDBDHM C[C@@](CO)(Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000820281815 606831128 /nfs/dbraw/zinc/83/11/28/606831128.db2.gz YGNDZCKNFOCPQG-ZDUSSCGKSA-N -1 3 304.310 1.348 20 5 DDBDHM CCc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000125528500 696753664 /nfs/dbraw/zinc/75/36/64/696753664.db2.gz SWHLNWGXEALHCD-UHFFFAOYSA-N -1 3 322.346 1.858 20 5 DDBDHM NC(=O)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776615553 698126821 /nfs/dbraw/zinc/12/68/21/698126821.db2.gz YJCJYXHLFGUZTN-UHFFFAOYSA-N -1 3 302.246 1.047 20 5 DDBDHM CCOC(=O)N[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853170385 704208536 /nfs/dbraw/zinc/20/85/36/704208536.db2.gz MGLXKPMGSWEFKG-VIFPVBQESA-N -1 3 310.310 1.410 20 5 DDBDHM CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1(C)C ZINC000871156203 704233288 /nfs/dbraw/zinc/23/32/88/704233288.db2.gz SEBSPXYPAXDVAW-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM CC(C)OCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824315195 705425676 /nfs/dbraw/zinc/42/56/76/705425676.db2.gz MQJIEJSHAYAIFE-UHFFFAOYSA-N -1 3 321.341 1.787 20 5 DDBDHM CC(C)OCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824315195 705425679 /nfs/dbraw/zinc/42/56/79/705425679.db2.gz MQJIEJSHAYAIFE-UHFFFAOYSA-N -1 3 321.341 1.787 20 5 DDBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1cnco1 ZINC001059362786 740742557 /nfs/dbraw/zinc/74/25/57/740742557.db2.gz MGVYWWJBQCBPLH-ZKCHVHJHSA-N -1 3 319.277 1.056 20 5 DDBDHM O=C(N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21)C1CCC1 ZINC001060377140 744255520 /nfs/dbraw/zinc/25/55/20/744255520.db2.gz BHYUJTOMMNUSPK-IAZYJMLFSA-N -1 3 318.333 1.046 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001106677172 745894048 /nfs/dbraw/zinc/89/40/48/745894048.db2.gz BPFKSNQTCRJIPQ-UHFFFAOYSA-N -1 3 319.321 1.598 20 5 DDBDHM O=c1[n-]c(C2CC2)nc2c1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC001197466953 747166719 /nfs/dbraw/zinc/16/67/19/747166719.db2.gz CDMUBRDTXITGHQ-UHFFFAOYSA-N -1 3 316.321 1.180 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/nfs/dbraw/zinc/16/33/23/863163323.db2.gz NXPHHHHLROYPJD-DTWKUNHWSA-N -1 3 303.315 1.549 20 5 DDBDHM COc1cc(C[NH2+][C@@H](CCF)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001332845101 866182788 /nfs/dbraw/zinc/18/27/88/866182788.db2.gz WELLACBXOGQVBR-QMMMGPOBSA-N -1 3 302.258 1.211 20 5 DDBDHM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001164265626 869073574 /nfs/dbraw/zinc/07/35/74/869073574.db2.gz XAJJAJSZYSOFLK-CDLYGTGVSA-N -1 3 307.306 1.695 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC001164383200 869173060 /nfs/dbraw/zinc/17/30/60/869173060.db2.gz TVORULHRSYKCKG-SSDOTTSWSA-N -1 3 320.334 1.523 20 5 DDBDHM Cc1nc2c(c(=O)[n-]1)CN(c1c(Cl)cncc1[N+](=O)[O-])C2 ZINC001307179981 871405318 /nfs/dbraw/zinc/40/53/18/871405318.db2.gz YZAYGSVOLWQSRZ-UHFFFAOYSA-N -1 3 307.697 1.967 20 5 DDBDHM Cc1cc([O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1[N+](=O)[O-] ZINC001229750723 884144572 /nfs/dbraw/zinc/14/45/72/884144572.db2.gz QRLDBRKPPJIUCY-MRCXROJRSA-N -1 3 306.318 1.792 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C(C)C)c([N+](=O)[O-])c1 ZINC000331299105 232997150 /nfs/dbraw/zinc/99/71/50/232997150.db2.gz VFXXDYMHOJZDLA-ZDUSSCGKSA-N -1 3 316.379 1.589 20 5 DDBDHM COc1ncnc(N(C)C)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000150702972 186057640 /nfs/dbraw/zinc/05/76/40/186057640.db2.gz PKRBWDWKRQMLPS-UHFFFAOYSA-N -1 3 307.266 1.305 20 5 DDBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000128303549 354073161 /nfs/dbraw/zinc/07/31/61/354073161.db2.gz WJRLRMQIAIUARL-ZYHUDNBSSA-N -1 3 314.363 1.749 20 5 DDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]c1nnc2[nH]cnn12 ZINC000590552481 355111662 /nfs/dbraw/zinc/11/16/62/355111662.db2.gz LZMAPKFTOFNETJ-UHFFFAOYSA-N -1 3 321.684 1.195 20 5 DDBDHM C[C@H]1C[C@H](N2CCCC2)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979532 355761910 /nfs/dbraw/zinc/76/19/10/355761910.db2.gz FGALBHLTECBPOA-QWRGUYRKSA-N -1 3 320.349 1.751 20 5 DDBDHM O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)s1 ZINC000593297512 355848674 /nfs/dbraw/zinc/84/86/74/355848674.db2.gz AXWMUAJYQPJUPB-YFKPBYRVSA-N -1 3 316.320 1.071 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000593571003 355929739 /nfs/dbraw/zinc/92/97/39/355929739.db2.gz DKUMVWIKUDPZHC-NXEZZACHSA-N -1 3 315.351 1.083 20 5 DDBDHM CCSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593591492 355935870 /nfs/dbraw/zinc/93/58/70/355935870.db2.gz KEQOIPHNXCYXSK-UHFFFAOYSA-N -1 3 305.381 1.411 20 5 DDBDHM O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000594418786 356203746 /nfs/dbraw/zinc/20/37/46/356203746.db2.gz LAWMUTVBSARCJC-VXGBXAGGSA-N -1 3 320.349 1.442 20 5 DDBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595357113 356462959 /nfs/dbraw/zinc/46/29/59/356462959.db2.gz YNHHWJOUKPHQHY-LLVKDONJSA-N -1 3 313.379 1.357 20 5 DDBDHM O=c1[n-]ccc(N2CC[C@@H](Oc3ccncc3)C2)c1[N+](=O)[O-] ZINC000596214478 356817772 /nfs/dbraw/zinc/81/77/72/356817772.db2.gz IGJBIPTWOARHPI-LLVKDONJSA-N -1 3 302.290 1.748 20 5 DDBDHM O=c1[n-]ccc(N2CC[C@H](Nc3ncccn3)C2)c1[N+](=O)[O-] ZINC000596285131 356844295 /nfs/dbraw/zinc/84/42/95/356844295.db2.gz ISKKEPRAPIIJME-VIFPVBQESA-N -1 3 302.294 1.176 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)c(C)s1 ZINC000597758574 357319806 /nfs/dbraw/zinc/31/98/06/357319806.db2.gz BMYUUERJBKAIJW-UHFFFAOYSA-N -1 3 324.318 1.737 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000599363890 357910259 /nfs/dbraw/zinc/91/02/59/357910259.db2.gz SJDKQQKYQZWEGN-MXWKQRLJSA-N -1 3 311.363 1.704 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000599385320 357918077 /nfs/dbraw/zinc/91/80/77/357918077.db2.gz DDOZVNOVSHOZRX-UHFFFAOYSA-N -1 3 312.347 1.848 20 5 DDBDHM CC(C)(C(=O)[O-])N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000600673372 358278948 /nfs/dbraw/zinc/27/89/48/358278948.db2.gz DLUNFTTXAFBNDG-UHFFFAOYSA-N -1 3 307.350 1.576 20 5 DDBDHM CO[C@]1(C(=O)[O-])CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000600675794 358279631 /nfs/dbraw/zinc/27/96/31/358279631.db2.gz OCWCIWOUFQTGCX-CQSZACIVSA-N -1 3 310.306 1.149 20 5 DDBDHM Cn1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C(F)F ZINC000618386078 363617088 /nfs/dbraw/zinc/61/70/88/363617088.db2.gz XZHXKTWAUVTSDD-UHFFFAOYSA-N -1 3 313.220 1.619 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000604399864 359747473 /nfs/dbraw/zinc/74/74/73/359747473.db2.gz RBLMSXLRGLSSAT-SECBINFHSA-N -1 3 314.363 1.928 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000189078314 200344801 /nfs/dbraw/zinc/34/48/01/200344801.db2.gz RIIFWVFRRDNGNN-UHFFFAOYSA-N -1 3 324.318 1.334 20 5 DDBDHM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000610409269 360429396 /nfs/dbraw/zinc/42/93/96/360429396.db2.gz FVPNIKMULIAKFE-LLVKDONJSA-N -1 3 313.379 1.215 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000613475449 361435646 /nfs/dbraw/zinc/43/56/46/361435646.db2.gz XOPNMENWRCKUQP-SSDOTTSWSA-N -1 3 308.381 1.402 20 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/nfs/dbraw/zinc/26/57/33/304265733.db2.gz AYCBABCOANGSHY-UHFFFAOYSA-N -1 3 319.361 1.972 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000120543177 195187876 /nfs/dbraw/zinc/18/78/76/195187876.db2.gz LOLNLZODBUINEE-NXEZZACHSA-N -1 3 302.352 1.198 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)C(C)C ZINC000120659549 195211316 /nfs/dbraw/zinc/21/13/16/195211316.db2.gz HNGQSMUBZGTDCR-NSHDSACASA-N -1 3 302.352 1.198 20 5 DDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)C1CC1 ZINC000069129050 406684634 /nfs/dbraw/zinc/68/46/34/406684634.db2.gz PHHAENCHRHGANF-MRVPVSSYSA-N -1 3 319.408 1.417 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000032474358 406947911 /nfs/dbraw/zinc/94/79/11/406947911.db2.gz LAVIQRVTGNLWAW-DTWKUNHWSA-N -1 3 300.336 1.538 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Cl)c1 ZINC000048659776 407103201 /nfs/dbraw/zinc/10/32/01/407103201.db2.gz BTIWLSLUSSVOFI-SECBINFHSA-N -1 3 320.754 1.706 20 5 DDBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[S@@](C)=O ZINC000124203858 407351196 /nfs/dbraw/zinc/35/11/96/407351196.db2.gz YDUCJNUWQNOVQC-UGZDLDLSSA-N -1 3 320.392 1.030 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125606528 407393103 /nfs/dbraw/zinc/39/31/03/407393103.db2.gz RZYDWCYVKJAOMW-QMMMGPOBSA-N -1 3 308.381 1.404 20 5 DDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000126201470 407407741 /nfs/dbraw/zinc/40/77/41/407407741.db2.gz PBSJJRACLDQCOH-QMMMGPOBSA-N -1 3 308.743 1.297 20 5 DDBDHM CCCNC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272399416 407900622 /nfs/dbraw/zinc/90/06/22/407900622.db2.gz AIFDNDMSCQGOAM-UHFFFAOYSA-N -1 3 315.276 1.329 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000181747878 408035968 /nfs/dbraw/zinc/03/59/68/408035968.db2.gz XTOCWNWRUXSDIP-UHFFFAOYSA-N -1 3 318.289 1.676 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000181747878 408035974 /nfs/dbraw/zinc/03/59/74/408035974.db2.gz XTOCWNWRUXSDIP-UHFFFAOYSA-N -1 3 318.289 1.676 20 5 DDBDHM C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN1C1CC1 ZINC000158582438 408347200 /nfs/dbraw/zinc/34/72/00/408347200.db2.gz CWCHRZUXCWUAAS-NXEZZACHSA-N -1 3 305.334 1.655 20 5 DDBDHM CCN1CCCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160320596 408469798 /nfs/dbraw/zinc/46/97/98/408469798.db2.gz QFGUEEFKESGZOW-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248691457 408616484 /nfs/dbraw/zinc/61/64/84/408616484.db2.gz ZAJZBEXLTFMJHT-BMIGLBTASA-N -1 3 318.333 1.330 20 5 DDBDHM CCCCOC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265356032 408623912 /nfs/dbraw/zinc/62/39/12/408623912.db2.gz AFLMBFZNNJLZNJ-UHFFFAOYSA-N -1 3 316.335 1.216 20 5 DDBDHM O=C([N-]OC[C@@H]1CCOC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000276522781 408875342 /nfs/dbraw/zinc/87/53/42/408875342.db2.gz CIRRDGGEAXNJBA-MRVPVSSYSA-N -1 3 300.698 1.946 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O ZINC000228204597 163340866 /nfs/dbraw/zinc/34/08/66/163340866.db2.gz UKPTWVFFUDWMQM-VHSXEESVSA-N -1 3 302.352 1.341 20 5 DDBDHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295317294 409430081 /nfs/dbraw/zinc/43/00/81/409430081.db2.gz PIZDZMPTSMRXOI-NSHDSACASA-N -1 3 300.336 1.441 20 5 DDBDHM CNC(=O)c1ccc(Sc2n[n-]c(COC)n2)c([N+](=O)[O-])c1 ZINC000354433746 409850900 /nfs/dbraw/zinc/85/09/00/409850900.db2.gz UVPKRNYUKBOWMV-UHFFFAOYSA-N -1 3 323.334 1.370 20 5 DDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OC(C)(C)CO)c1 ZINC000297123442 409813262 /nfs/dbraw/zinc/81/32/62/409813262.db2.gz HCQUYPZYJGNLBG-UHFFFAOYSA-N -1 3 300.336 1.749 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000357327206 409976759 /nfs/dbraw/zinc/97/67/59/409976759.db2.gz CXGWLAOHFUDZCY-UHFFFAOYSA-N -1 3 315.332 1.866 20 5 DDBDHM Nc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000352990524 410721071 /nfs/dbraw/zinc/72/10/71/410721071.db2.gz SFPMBKYUTPLPBL-LLVKDONJSA-N -1 3 317.305 2.004 20 5 DDBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000352996250 410723907 /nfs/dbraw/zinc/72/39/07/410723907.db2.gz XWPROGXVJOKJAE-LBPRGKRZSA-N -1 3 302.290 2.422 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343984029 410864836 /nfs/dbraw/zinc/86/48/36/410864836.db2.gz LUAPPVKXJWCHNJ-MFKMUULPSA-N -1 3 314.363 1.749 20 5 DDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](CO)CC(F)F)c1 ZINC000428371483 419857008 /nfs/dbraw/zinc/85/70/08/419857008.db2.gz FVSBFAKRHQKKFP-SECBINFHSA-N -1 3 324.305 1.030 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CCO)CC2)c(Cl)c1 ZINC000431563908 229041620 /nfs/dbraw/zinc/04/16/20/229041620.db2.gz JQPWVCPCNFQHTA-UHFFFAOYSA-N -1 3 320.754 1.442 20 5 DDBDHM O=C(CCOC1CNC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423748795 420158783 /nfs/dbraw/zinc/15/87/83/420158783.db2.gz UWLVZVQKUUMXNZ-UHFFFAOYSA-N -1 3 315.713 1.271 20 5 DDBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-] ZINC000436741634 420362333 /nfs/dbraw/zinc/36/23/33/420362333.db2.gz UKJXHUHZBRKBQS-UHFFFAOYSA-N -1 3 317.301 1.848 20 5 DDBDHM O=C([O-])[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571571413 421727766 /nfs/dbraw/zinc/72/77/66/421727766.db2.gz RLTUQLYDUXHJMH-DGCLKSJQSA-N -1 3 324.333 1.131 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000571996192 421758848 /nfs/dbraw/zinc/75/88/48/421758848.db2.gz GQQYGTGGJPDSEL-ZJUUUORDSA-N -1 3 300.336 1.359 20 5 DDBDHM CN1CC[C@@H]2[C@H](CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000578195875 422518847 /nfs/dbraw/zinc/51/88/47/422518847.db2.gz OZPVIHHSEGKYSR-ZYHUDNBSSA-N -1 3 320.349 1.609 20 5 DDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)nn1C ZINC000344515279 272046888 /nfs/dbraw/zinc/04/68/88/272046888.db2.gz NTBDLTNFYNXTAX-UHFFFAOYSA-N -1 3 312.289 1.832 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN(C)C)cc1C ZINC000344910585 272139038 /nfs/dbraw/zinc/13/90/38/272139038.db2.gz WISLUWVFUWMBNF-LLVKDONJSA-N -1 3 315.395 1.440 20 5 DDBDHM Cc1cc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)ccc1[N+](=O)[O-] ZINC000278606200 280557218 /nfs/dbraw/zinc/55/72/18/280557218.db2.gz AWZNKMSGXZIZSE-CQSZACIVSA-N -1 3 304.306 1.082 20 5 DDBDHM Cc1cccnc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000355391000 298726611 /nfs/dbraw/zinc/72/66/11/298726611.db2.gz NRSXGQJTKZPCCM-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000362342080 300050746 /nfs/dbraw/zinc/05/07/46/300050746.db2.gz ZDIVGBZPDKMEEK-UHFFFAOYSA-N -1 3 311.681 1.567 20 5 DDBDHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367113676 300800812 /nfs/dbraw/zinc/80/08/12/300800812.db2.gz KUQHLSHCEFEXFG-WCQGTBRESA-N -1 3 321.333 1.691 20 5 DDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000369620904 301205503 /nfs/dbraw/zinc/20/55/03/301205503.db2.gz ZZHNFCOSHOHDMF-UHFFFAOYSA-N -1 3 324.300 1.956 20 5 DDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000369620904 301205505 /nfs/dbraw/zinc/20/55/05/301205505.db2.gz ZZHNFCOSHOHDMF-UHFFFAOYSA-N -1 3 324.300 1.956 20 5 DDBDHM CN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577495043 308392533 /nfs/dbraw/zinc/39/25/33/308392533.db2.gz KEVAHDDLPGCHMC-SECBINFHSA-N -1 3 313.741 1.778 20 5 DDBDHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397495320 337265641 /nfs/dbraw/zinc/26/56/41/337265641.db2.gz OJXAKBDYQXPHEQ-JOYOIKCWSA-N -1 3 321.333 1.379 20 5 DDBDHM O=C([N-]c1nc(C2CCOCC2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000583283449 337304137 /nfs/dbraw/zinc/30/41/37/337304137.db2.gz OTOGGMDCTJKDIT-UHFFFAOYSA-N -1 3 323.334 1.921 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)n[n-]1 ZINC000540975792 500699176 /nfs/dbraw/zinc/69/91/76/500699176.db2.gz NKGBWLDPNLBMNI-UHFFFAOYSA-N -1 3 307.266 1.085 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]n1 ZINC000540975792 500699179 /nfs/dbraw/zinc/69/91/79/500699179.db2.gz NKGBWLDPNLBMNI-UHFFFAOYSA-N -1 3 307.266 1.085 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)CCCO1 ZINC000156147219 524908537 /nfs/dbraw/zinc/90/85/37/524908537.db2.gz BZKHFBFBHGQKJX-CYBMUJFWSA-N -1 3 314.363 1.751 20 5 DDBDHM CS[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821949779 599072575 /nfs/dbraw/zinc/07/25/75/599072575.db2.gz IQTMPELDHAPGHN-IONNQARKSA-N -1 3 321.366 1.866 20 5 DDBDHM CS[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821949779 599072579 /nfs/dbraw/zinc/07/25/79/599072579.db2.gz IQTMPELDHAPGHN-IONNQARKSA-N -1 3 321.366 1.866 20 5 DDBDHM CS[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821949777 599072939 /nfs/dbraw/zinc/07/29/39/599072939.db2.gz IQTMPELDHAPGHN-APPZFPTMSA-N -1 3 321.366 1.866 20 5 DDBDHM CS[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821949777 599072942 /nfs/dbraw/zinc/07/29/42/599072942.db2.gz IQTMPELDHAPGHN-APPZFPTMSA-N -1 3 321.366 1.866 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000823651921 599368351 /nfs/dbraw/zinc/36/83/51/599368351.db2.gz RQFINRLUENKLGA-UHFFFAOYSA-N -1 3 312.293 1.220 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000823651921 599368354 /nfs/dbraw/zinc/36/83/54/599368354.db2.gz RQFINRLUENKLGA-UHFFFAOYSA-N -1 3 312.293 1.220 20 5 DDBDHM Cc1cccnc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737437265 598244364 /nfs/dbraw/zinc/24/43/64/598244364.db2.gz SNNCWCDSZQDGSA-UHFFFAOYSA-N -1 3 312.293 1.485 20 5 DDBDHM Cc1cccnc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737437265 598244365 /nfs/dbraw/zinc/24/43/65/598244365.db2.gz SNNCWCDSZQDGSA-UHFFFAOYSA-N -1 3 312.293 1.485 20 5 DDBDHM CC(C)(C)[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735597934 598775466 /nfs/dbraw/zinc/77/54/66/598775466.db2.gz UNOYLURCJQTKAI-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)(C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735597934 598775465 /nfs/dbraw/zinc/77/54/65/598775465.db2.gz UNOYLURCJQTKAI-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC000736216774 598817290 /nfs/dbraw/zinc/81/72/90/598817290.db2.gz LQPQQTNKFUUOSW-CYBMUJFWSA-N -1 3 304.310 1.613 20 5 DDBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC000736216774 598817292 /nfs/dbraw/zinc/81/72/92/598817292.db2.gz LQPQQTNKFUUOSW-CYBMUJFWSA-N -1 3 304.310 1.613 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c[nH]nc2C1 ZINC000826497310 607564826 /nfs/dbraw/zinc/56/48/26/607564826.db2.gz CBQDGEVPOMZMHQ-UHFFFAOYSA-N -1 3 312.293 1.061 20 5 DDBDHM CN(C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828179770 603993571 /nfs/dbraw/zinc/99/35/71/603993571.db2.gz CTGAHRFYXPGUNA-NSHDSACASA-N -1 3 311.342 1.113 20 5 DDBDHM C[C@H]1C[C@H](CNC(=O)[O-])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000833834051 605888333 /nfs/dbraw/zinc/88/83/33/605888333.db2.gz MCLVFHLEBRMMRE-NWDGAFQWSA-N -1 3 323.349 1.952 20 5 DDBDHM O=C([O-])NC[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834223798 606028922 /nfs/dbraw/zinc/02/89/22/606028922.db2.gz CNYUORBXUUFXOJ-GWCFXTLKSA-N -1 3 309.322 1.218 20 5 DDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823426890 606229691 /nfs/dbraw/zinc/22/96/91/606229691.db2.gz PSPRBPJVLQJFBY-UHFFFAOYSA-N -1 3 314.261 1.460 20 5 DDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823426890 606229694 /nfs/dbraw/zinc/22/96/94/606229694.db2.gz PSPRBPJVLQJFBY-UHFFFAOYSA-N -1 3 314.261 1.460 20 5 DDBDHM C[C@H](Cn1cccn1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824465991 607840178 /nfs/dbraw/zinc/84/01/78/607840178.db2.gz UUWNZEMZHBCPGW-SECBINFHSA-N -1 3 314.309 1.472 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500641 608152157 /nfs/dbraw/zinc/15/21/57/608152157.db2.gz GHTYDMIXXRTERQ-SECBINFHSA-N -1 3 301.310 1.406 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500641 608152158 /nfs/dbraw/zinc/15/21/58/608152158.db2.gz GHTYDMIXXRTERQ-SECBINFHSA-N -1 3 301.310 1.406 20 5 DDBDHM CC(C)(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824172966 608193402 /nfs/dbraw/zinc/19/34/02/608193402.db2.gz RSOFIPJPKUIGKU-LBPRGKRZSA-N -1 3 318.337 1.515 20 5 DDBDHM CC(C)(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824172966 608193403 /nfs/dbraw/zinc/19/34/03/608193403.db2.gz RSOFIPJPKUIGKU-LBPRGKRZSA-N -1 3 318.337 1.515 20 5 DDBDHM O=[N+]([O-])c1ccc(CCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826498441 608778571 /nfs/dbraw/zinc/77/85/71/608778571.db2.gz VANMDWBBINAWIN-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1ccc(CCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826498441 608778574 /nfs/dbraw/zinc/77/85/74/608778574.db2.gz VANMDWBBINAWIN-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM CC(C)(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735588630 609314275 /nfs/dbraw/zinc/31/42/75/609314275.db2.gz FILCYRFCGKOCBO-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735588630 609314277 /nfs/dbraw/zinc/31/42/77/609314277.db2.gz FILCYRFCGKOCBO-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824224247 609320472 /nfs/dbraw/zinc/32/04/72/609320472.db2.gz OFUQVDIZJPJIQJ-CYBMUJFWSA-N -1 3 318.337 1.636 20 5 DDBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824224247 609320474 /nfs/dbraw/zinc/32/04/74/609320474.db2.gz OFUQVDIZJPJIQJ-CYBMUJFWSA-N -1 3 318.337 1.636 20 5 DDBDHM CN(C[C@@H]1CC=CCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825908341 609594617 /nfs/dbraw/zinc/59/46/17/609594617.db2.gz GUEVBDAJVLAIMJ-SNVBAGLBSA-N -1 3 315.337 1.962 20 5 DDBDHM CN(C[C@@H]1CC=CCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825908341 609594618 /nfs/dbraw/zinc/59/46/18/609594618.db2.gz GUEVBDAJVLAIMJ-SNVBAGLBSA-N -1 3 315.337 1.962 20 5 DDBDHM O=C([N-][C@H](CO)CCF)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848593213 703567111 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O=c1[n-]ccc(N2CC[C@@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000884727069 708366554 /nfs/dbraw/zinc/36/65/54/708366554.db2.gz KSULUPCMWOCDPX-SNVBAGLBSA-N -1 3 307.228 1.447 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccco1 ZINC001059546543 741170322 /nfs/dbraw/zinc/17/03/22/741170322.db2.gz ZZEKTQMILRROQD-DTORHVGOSA-N -1 3 318.289 1.661 20 5 DDBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCCF ZINC001105522724 742102582 /nfs/dbraw/zinc/10/25/82/742102582.db2.gz FKNIQFBXARYBCZ-UHFFFAOYSA-N -1 3 314.317 1.340 20 5 DDBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCC1 ZINC001105528784 742103505 /nfs/dbraw/zinc/10/35/05/742103505.db2.gz WTBHFSKCNZCSOW-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM COc1ccncc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212936946 750962692 /nfs/dbraw/zinc/96/26/92/750962692.db2.gz GGKGKIUVJRNRBF-UHFFFAOYSA-N -1 3 315.245 1.816 20 5 DDBDHM COc1nc(SC)nc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001169731306 762638627 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CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnn(C)n1 ZINC001141180292 860805767 /nfs/dbraw/zinc/80/57/67/860805767.db2.gz CTTLDYDRCCEVCR-UHFFFAOYSA-N -1 3 305.298 1.191 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCCc1nnn[n-]1 ZINC001163550421 868523162 /nfs/dbraw/zinc/52/31/62/868523162.db2.gz BFUVQVYTSJRRIN-UHFFFAOYSA-N -1 3 323.334 1.538 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCCc1nn[n-]n1 ZINC001163550421 868523169 /nfs/dbraw/zinc/52/31/69/868523169.db2.gz BFUVQVYTSJRRIN-UHFFFAOYSA-N -1 3 323.334 1.538 20 5 DDBDHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1SCCc1nnn[n-]1 ZINC001307146114 871402167 /nfs/dbraw/zinc/40/21/67/871402167.db2.gz VSXSNLHNKUZCCU-UHFFFAOYSA-N -1 3 323.260 1.195 20 5 DDBDHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1SCCc1nn[n-]n1 ZINC001307146114 871402184 /nfs/dbraw/zinc/40/21/84/871402184.db2.gz VSXSNLHNKUZCCU-UHFFFAOYSA-N -1 3 323.260 1.195 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\C2CC2)c(F)c1 ZINC001347642237 874225215 /nfs/dbraw/zinc/22/52/15/874225215.db2.gz LINLHYAKPXUYSE-UPHRSURJSA-N -1 3 300.311 1.978 20 5 DDBDHM C[C@@H]1CCCN1c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001348018308 874336448 /nfs/dbraw/zinc/33/64/48/874336448.db2.gz SHNOVEXPQXQNBS-MRVPVSSYSA-N -1 3 304.310 1.480 20 5 DDBDHM Nc1ncc(C(=O)[N-]c2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC001291991879 913600775 /nfs/dbraw/zinc/60/07/75/913600775.db2.gz HCAIXZYECRTDPF-UHFFFAOYSA-N -1 3 316.249 1.613 20 5 DDBDHM O=C1C=C([O-])CC(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247546271 893230793 /nfs/dbraw/zinc/23/07/93/893230793.db2.gz DSEMFQIDJAPXSW-UHFFFAOYSA-N -1 3 320.236 1.585 20 5 DDBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000345204895 282952590 /nfs/dbraw/zinc/95/25/90/282952590.db2.gz UPIUDPUUVUEJNG-UHFFFAOYSA-N -1 3 306.303 1.350 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CC=CC2)cc1[N+](=O)[O-] ZINC000614548826 361915029 /nfs/dbraw/zinc/91/50/29/361915029.db2.gz XUXNQBDJELXBDG-UHFFFAOYSA-N -1 3 316.310 1.739 20 5 DDBDHM CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])[C@@H]2C1 ZINC000425056829 529822530 /nfs/dbraw/zinc/82/25/30/529822530.db2.gz LEACIQAGDJCHKS-GXFFZTMASA-N -1 3 305.334 1.467 20 5 DDBDHM O=C([N-]OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000188002923 186242191 /nfs/dbraw/zinc/24/21/91/186242191.db2.gz GAMJGDPCWQJLSE-QMMMGPOBSA-N -1 3 300.698 1.946 20 5 DDBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000045341987 352408620 /nfs/dbraw/zinc/40/86/20/352408620.db2.gz SUDHERJTNVBNHD-UHFFFAOYSA-N -1 3 324.318 1.547 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ccc(Br)o1 ZINC000184413655 282826208 /nfs/dbraw/zinc/82/62/08/282826208.db2.gz IODHWBBAZQQBJO-UHFFFAOYSA-N -1 3 315.083 1.936 20 5 DDBDHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000080727919 353625143 /nfs/dbraw/zinc/62/51/43/353625143.db2.gz DQEWMZUKUQLKGW-UHFFFAOYSA-N -1 3 310.335 1.290 20 5 DDBDHM O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])CN1 ZINC000092104645 353844956 /nfs/dbraw/zinc/84/49/56/353844956.db2.gz ISPSEKMHFLGVMY-RISCZKNCSA-N -1 3 319.361 1.791 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000093663845 353904026 /nfs/dbraw/zinc/90/40/26/353904026.db2.gz KQIWDYHYVODMQI-CYBMUJFWSA-N -1 3 321.377 1.455 20 5 DDBDHM CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000317568181 354511884 /nfs/dbraw/zinc/51/18/84/354511884.db2.gz GOWBZFFBPLZQQW-UHFFFAOYSA-N -1 3 305.294 1.968 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)nc1 ZINC000593605081 355940198 /nfs/dbraw/zinc/94/01/98/355940198.db2.gz GADABPDUVAFKQR-UHFFFAOYSA-N -1 3 321.305 1.704 20 5 DDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(C[C@]2(O)CCSC2)nn1 ZINC000594652782 356275532 /nfs/dbraw/zinc/27/55/32/356275532.db2.gz ONJLVHMBPWIGOA-CYBMUJFWSA-N -1 3 322.346 1.292 20 5 DDBDHM O=C([O-])[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000594733630 356300832 /nfs/dbraw/zinc/30/08/32/356300832.db2.gz ACQGEYVJFDYRJB-XQQFMLRXSA-N -1 3 322.365 1.757 20 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358530709 /nfs/dbraw/zinc/53/07/09/358530709.db2.gz JVVNYQAXHFJVMA-UHFFFAOYSA-N -1 3 308.381 1.668 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])s1 ZINC000601391246 358531524 /nfs/dbraw/zinc/53/15/24/358531524.db2.gz NHQBQCLRAVIUJH-KWQFWETISA-N -1 3 320.392 1.811 20 5 DDBDHM CC1(C)SCC(=O)[N-]N(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000601939799 358745774 /nfs/dbraw/zinc/74/57/74/358745774.db2.gz NDEYBXJNOJIACC-UHFFFAOYSA-N -1 3 313.310 1.624 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000188316326 200226514 /nfs/dbraw/zinc/22/65/14/200226514.db2.gz BTAMXTRNRCKNDW-QWRGUYRKSA-N -1 3 314.363 1.343 20 5 DDBDHM CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619567075 364063908 /nfs/dbraw/zinc/06/39/08/364063908.db2.gz MTJNBCORYWQGJX-LLVKDONJSA-N -1 3 307.350 1.857 20 5 DDBDHM O=c1[n-]c(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000091329813 193042299 /nfs/dbraw/zinc/04/22/99/193042299.db2.gz NKAASDGONSDAQD-UHFFFAOYSA-N -1 3 316.100 1.800 20 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/nfs/dbraw/zinc/10/19/01/533101901.db2.gz QKPYRTOETBOBTB-SSDOTTSWSA-N -1 3 324.305 1.925 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)c1C ZINC000120452025 195168822 /nfs/dbraw/zinc/16/88/22/195168822.db2.gz GGZBOCCUIVEBES-ONGXEEELSA-N -1 3 316.379 1.507 20 5 DDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289482053 221007132 /nfs/dbraw/zinc/00/71/32/221007132.db2.gz RVDLJZZBSPQZCO-ZYHUDNBSSA-N -1 3 317.349 1.947 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)OC ZINC000289515420 221033487 /nfs/dbraw/zinc/03/34/87/221033487.db2.gz LBAZTYQRLWLGSW-RKDXNWHRSA-N -1 3 318.351 1.305 20 5 DDBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000289585976 221086387 /nfs/dbraw/zinc/08/63/87/221086387.db2.gz PJDMXRKWJSFDSG-MNOVXSKESA-N -1 3 316.379 1.913 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCCC1 ZINC000070271984 406812460 /nfs/dbraw/zinc/81/24/60/406812460.db2.gz MGMLOTKLGFWWAW-UHFFFAOYSA-N -1 3 300.336 1.824 20 5 DDBDHM O=c1nc(Cn2cnc([N+](=O)[O-])c2)[n-]c2sc3c(c21)CCC3 ZINC000026122772 406902303 /nfs/dbraw/zinc/90/23/03/406902303.db2.gz BAZKDSZOBNPJTD-UHFFFAOYSA-N -1 3 317.330 1.626 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCCO ZINC000094946954 407205032 /nfs/dbraw/zinc/20/50/32/407205032.db2.gz PTLOPBXBXANPJR-VIFPVBQESA-N -1 3 318.351 1.043 20 5 DDBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124177450 407350432 /nfs/dbraw/zinc/35/04/32/407350432.db2.gz SOXJUXSCEOBCQY-ZCFIWIBFSA-N -1 3 310.422 1.995 20 5 DDBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000266142763 407530684 /nfs/dbraw/zinc/53/06/84/407530684.db2.gz CYRJDKWUZFHDDY-ZYHUDNBSSA-N -1 3 314.363 1.831 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(C)C)cc1C ZINC000186581130 407709183 /nfs/dbraw/zinc/70/91/83/407709183.db2.gz ADKNUBMXXPFMPC-UHFFFAOYSA-N -1 3 316.379 1.915 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000190001817 408145322 /nfs/dbraw/zinc/14/53/22/408145322.db2.gz PZOQMVKBCQVCLZ-QWRGUYRKSA-N -1 3 316.379 1.507 20 5 DDBDHM CCN1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000159601938 408419513 /nfs/dbraw/zinc/41/95/13/408419513.db2.gz XQOWJZBMTRSXLE-UHFFFAOYSA-N -1 3 322.350 1.405 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)SC ZINC000269780344 408426313 /nfs/dbraw/zinc/42/63/13/408426313.db2.gz USEKNTFRKZTBSQ-QMMMGPOBSA-N -1 3 320.392 1.633 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOC(F)F ZINC000193968997 408755628 /nfs/dbraw/zinc/75/56/28/408755628.db2.gz UPWJMLLSJSVIGW-UHFFFAOYSA-N -1 3 324.305 1.811 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000288386878 409163237 /nfs/dbraw/zinc/16/32/37/409163237.db2.gz MBQXFKDCUWFYCD-NWDGAFQWSA-N -1 3 319.361 1.999 20 5 DDBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331513497 409586348 /nfs/dbraw/zinc/58/63/48/409586348.db2.gz NEDLVYIHIDEJJT-RNCFNFMXSA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000342490940 409674940 /nfs/dbraw/zinc/67/49/40/409674940.db2.gz HGRKBXFHWMLOMP-LURJTMIESA-N -1 3 317.348 1.992 20 5 DDBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000354510577 409908031 /nfs/dbraw/zinc/90/80/31/409908031.db2.gz NYJYDYGRVRYJAG-LBPRGKRZSA-N -1 3 300.336 1.300 20 5 DDBDHM Cc1cnc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000340089164 410670010 /nfs/dbraw/zinc/67/00/10/410670010.db2.gz JGWYBVDZGBHKIV-UHFFFAOYSA-N -1 3 322.346 1.214 20 5 DDBDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352321523 410623894 /nfs/dbraw/zinc/62/38/94/410623894.db2.gz YUUMIASBYVVJCO-IUCAKERBSA-N -1 3 302.377 1.625 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000337770956 410992345 /nfs/dbraw/zinc/99/23/45/410992345.db2.gz FMKNEQOETKXOAE-NSHDSACASA-N -1 3 324.362 1.467 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000360346127 411130124 /nfs/dbraw/zinc/13/01/24/411130124.db2.gz ONYQXJFUZUXXNA-VROVMSAKSA-N -1 3 318.738 1.171 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H]3CCN(C)C[C@H]32)n1 ZINC000580452355 422934854 /nfs/dbraw/zinc/93/48/54/422934854.db2.gz YZTNFMCGAHHUCD-ZYHUDNBSSA-N -1 3 320.349 1.527 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCO)c(Cl)c1 ZINC000229157482 418565242 /nfs/dbraw/zinc/56/52/42/418565242.db2.gz ZHNLTTVKFJFPFN-UHFFFAOYSA-N -1 3 322.770 1.689 20 5 DDBDHM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCC(=O)[O-] ZINC000430660323 420172450 /nfs/dbraw/zinc/17/24/50/420172450.db2.gz DBWQMQWJGDUSTA-JTQLQIEISA-N -1 3 309.322 1.718 20 5 DDBDHM COc1nc(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[n-]1 ZINC000492520244 420580957 /nfs/dbraw/zinc/58/09/57/420580957.db2.gz MDGURJLZOIMCEO-HYXAFXHYSA-N -1 3 307.241 1.513 20 5 DDBDHM COc1nnc(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])[n-]1 ZINC000492520244 420580964 /nfs/dbraw/zinc/58/09/64/420580964.db2.gz MDGURJLZOIMCEO-HYXAFXHYSA-N -1 3 307.241 1.513 20 5 DDBDHM COc1n[n-]c(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000492520244 420580966 /nfs/dbraw/zinc/58/09/66/420580966.db2.gz MDGURJLZOIMCEO-HYXAFXHYSA-N -1 3 307.241 1.513 20 5 DDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493418990 420843548 /nfs/dbraw/zinc/84/35/48/420843548.db2.gz YBMHGCGILALGDC-SSDOTTSWSA-N -1 3 322.314 1.056 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCN(C)C2)cc1C ZINC000507300162 421427237 /nfs/dbraw/zinc/42/72/37/421427237.db2.gz OIBYYFXMYWCXLU-LLVKDONJSA-N -1 3 313.379 1.194 20 5 DDBDHM C[C@@H]1C[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CN1C1CC1 ZINC000581134569 421908802 /nfs/dbraw/zinc/90/88/02/421908802.db2.gz VUWOZONIPCROKV-BDAKNGLRSA-N -1 3 306.322 1.725 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c(F)c1 ZINC000315979321 271014932 /nfs/dbraw/zinc/01/49/32/271014932.db2.gz GQXYLDIFAJJZNR-NSHDSACASA-N -1 3 318.326 1.173 20 5 DDBDHM Cc1ncc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c(=O)[n-]1 ZINC000345093041 272171014 /nfs/dbraw/zinc/17/10/14/272171014.db2.gz LODCWUGVJMTDDL-UHFFFAOYSA-N -1 3 316.317 1.566 20 5 DDBDHM CC(=O)c1ccc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000269722904 278247818 /nfs/dbraw/zinc/24/78/18/278247818.db2.gz SOBDTAGXXUZQKB-UHFFFAOYSA-N -1 3 314.301 1.856 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000125761483 281214986 /nfs/dbraw/zinc/21/49/86/281214986.db2.gz HUUCXEZNDRDMRN-SNVBAGLBSA-N -1 3 306.365 1.422 20 5 DDBDHM C[C@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130406276 281380021 /nfs/dbraw/zinc/38/00/21/281380021.db2.gz OYYWBJILLOYHFM-NSHDSACASA-N -1 3 307.350 1.762 20 5 DDBDHM CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248482839 290239022 /nfs/dbraw/zinc/23/90/22/290239022.db2.gz CFQVYGVAZKOQNA-STQMWFEESA-N -1 3 319.361 1.857 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@@H]21 ZINC000368411687 301021656 /nfs/dbraw/zinc/02/16/56/301021656.db2.gz JBECBFQWVRAZRB-GWCFXTLKSA-N -1 3 305.334 1.467 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)F)c([N+](=O)[O-])c1 ZINC000428375014 301694783 /nfs/dbraw/zinc/69/47/83/301694783.db2.gz ONOPOOVEIDGNEC-QMMMGPOBSA-N -1 3 324.305 1.198 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCOC1 ZINC000266247853 302047794 /nfs/dbraw/zinc/04/77/94/302047794.db2.gz XEQRCBSPLGWQCS-WDEREUQCSA-N -1 3 314.363 1.607 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000532451273 303286950 /nfs/dbraw/zinc/28/69/50/303286950.db2.gz PLNSYRSFZNVJTI-UHFFFAOYSA-N -1 3 300.336 1.361 20 5 DDBDHM CN(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000361915951 307011348 /nfs/dbraw/zinc/01/13/48/307011348.db2.gz LVTQCTLSJCLVOI-UHFFFAOYSA-N -1 3 303.278 1.409 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)cc1C ZINC000570923810 308185548 /nfs/dbraw/zinc/18/55/48/308185548.db2.gz UEHQEAZCTJUVCQ-MNOVXSKESA-N -1 3 314.363 1.667 20 5 DDBDHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000294378877 533812385 /nfs/dbraw/zinc/81/23/85/533812385.db2.gz BJGJNLBNSDKIAM-ZWNOBZJWSA-N -1 3 314.363 1.424 20 5 DDBDHM COc1ccc(O)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445005439 534204117 /nfs/dbraw/zinc/20/41/17/534204117.db2.gz DFVNMWKFZYMMIW-UHFFFAOYSA-N -1 3 305.246 1.662 20 5 DDBDHM CC[C@](C)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000451801257 529363385 /nfs/dbraw/zinc/36/33/85/529363385.db2.gz HBCPGGDXCUDJRG-CYBMUJFWSA-N -1 3 316.379 1.997 20 5 DDBDHM CN(C[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821597949 607347700 /nfs/dbraw/zinc/34/77/00/607347700.db2.gz LZGFPAXQKRFRRZ-SECBINFHSA-N -1 3 304.310 1.248 20 5 DDBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736405290 598677782 /nfs/dbraw/zinc/67/77/82/598677782.db2.gz FWSMMAJBHXBZBI-MWLCHTKSSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736405290 598677783 /nfs/dbraw/zinc/67/77/83/598677783.db2.gz FWSMMAJBHXBZBI-MWLCHTKSSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736334492 598774648 /nfs/dbraw/zinc/77/46/48/598774648.db2.gz WPPYMMDZMSPMTE-OTYXRUKQSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736334492 598774649 /nfs/dbraw/zinc/77/46/49/598774649.db2.gz WPPYMMDZMSPMTE-OTYXRUKQSA-N -1 3 320.353 1.984 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCSC2)c(-c2nnn[n-]2)c1 ZINC000823639986 606165378 /nfs/dbraw/zinc/16/53/78/606165378.db2.gz OIOUUVSPALCJRT-LBPRGKRZSA-N -1 3 322.350 1.055 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCSC2)c(-c2nn[n-]n2)c1 ZINC000823639986 606165379 /nfs/dbraw/zinc/16/53/79/606165379.db2.gz OIOUUVSPALCJRT-LBPRGKRZSA-N -1 3 322.350 1.055 20 5 DDBDHM Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000826317910 609436068 /nfs/dbraw/zinc/43/60/68/609436068.db2.gz POWSCBKBEKJFKA-SSDOTTSWSA-N -1 3 316.281 1.639 20 5 DDBDHM Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000826317910 609436071 /nfs/dbraw/zinc/43/60/71/609436071.db2.gz POWSCBKBEKJFKA-SSDOTTSWSA-N -1 3 316.281 1.639 20 5 DDBDHM Cc1nn(Cc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826335035 609499676 /nfs/dbraw/zinc/49/96/76/609499676.db2.gz VBICFLLRAXQHQH-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM Cc1nn(Cc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826335035 609499679 /nfs/dbraw/zinc/49/96/79/609499679.db2.gz VBICFLLRAXQHQH-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM COc1cc([C@@H]2NC3(CCCC3)C(=O)N2C)c([N+](=O)[O-])cc1[O-] ZINC000742441632 699878651 /nfs/dbraw/zinc/87/86/51/699878651.db2.gz DDCJSDGUFKPLCG-CYBMUJFWSA-N -1 3 321.333 1.682 20 5 DDBDHM COc1nnc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000752729964 700382288 /nfs/dbraw/zinc/38/22/88/700382288.db2.gz CZUXPRVGNZSZKC-FPLPWBNLSA-N -1 3 303.278 1.764 20 5 DDBDHM COc1nc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000752729964 700382290 /nfs/dbraw/zinc/38/22/90/700382290.db2.gz CZUXPRVGNZSZKC-FPLPWBNLSA-N -1 3 303.278 1.764 20 5 DDBDHM COc1n[n-]c(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000752729964 700382294 /nfs/dbraw/zinc/38/22/94/700382294.db2.gz CZUXPRVGNZSZKC-FPLPWBNLSA-N -1 3 303.278 1.764 20 5 DDBDHM CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000874832360 705190094 /nfs/dbraw/zinc/19/00/94/705190094.db2.gz FCSSTCSKVGEKBB-NWDGAFQWSA-N -1 3 305.334 1.609 20 5 DDBDHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000874833450 705191473 /nfs/dbraw/zinc/19/14/73/705191473.db2.gz NAEDGAHNPJUHDJ-STQMWFEESA-N -1 3 305.334 1.609 20 5 DDBDHM CC(C)(CCC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)[N+](=O)[O-] ZINC000837926137 707783015 /nfs/dbraw/zinc/78/30/15/707783015.db2.gz IQJGZGYUHAHKQA-UHFFFAOYSA-N -1 3 309.322 1.938 20 5 DDBDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000884702529 708361708 /nfs/dbraw/zinc/36/17/08/708361708.db2.gz FUIWBWFOVBVEFS-UHFFFAOYSA-N -1 3 315.333 1.725 20 5 DDBDHM O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ncccc1[O-] ZINC001126125332 738346126 /nfs/dbraw/zinc/34/61/26/738346126.db2.gz SFYUQMJUNHAEOK-UHFFFAOYSA-N -1 3 316.317 1.215 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC1 ZINC001059551345 741268674 /nfs/dbraw/zinc/26/86/74/741268674.db2.gz ZWAOBALJFDDSFW-AOOOYVTPSA-N -1 3 306.322 1.555 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccs2)nc1 ZINC001184752060 744095997 /nfs/dbraw/zinc/09/59/97/744095997.db2.gz JVEKFJFMWQJFSW-UHFFFAOYSA-N -1 3 313.360 1.572 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C(C)C ZINC001106671847 745889377 /nfs/dbraw/zinc/88/93/77/745889377.db2.gz PISVOVYVSOJUQW-UHFFFAOYSA-N -1 3 308.338 1.922 20 5 DDBDHM O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](c3nnn[n-]3)C2)c(F)c1 ZINC001197295463 747123495 /nfs/dbraw/zinc/12/34/95/747123495.db2.gz GRCJOCQPZHQBMG-SSDOTTSWSA-N -1 3 310.264 1.376 20 5 DDBDHM O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](c3nn[n-]n3)C2)c(F)c1 ZINC001197295463 747123499 /nfs/dbraw/zinc/12/34/99/747123499.db2.gz GRCJOCQPZHQBMG-SSDOTTSWSA-N -1 3 310.264 1.376 20 5 DDBDHM Nc1ccc(OCCO)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223486 748449760 /nfs/dbraw/zinc/44/97/60/748449760.db2.gz ZNRWTYLFYAKLFP-UHFFFAOYSA-N -1 3 305.290 1.997 20 5 DDBDHM CC(C)(F)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107013182 748681032 /nfs/dbraw/zinc/68/10/32/748681032.db2.gz PNGUGLFFKUVENL-ARJAWSKDSA-N -1 3 312.301 1.528 20 5 DDBDHM CC(=O)N1CCC(CCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001063961097 754417449 /nfs/dbraw/zinc/41/74/49/754417449.db2.gz VWUIUHMNHDTEMB-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM CC1(NC(=O)C2CC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001065048479 755047304 /nfs/dbraw/zinc/04/73/04/755047304.db2.gz ZTNMDEPCWCOANR-UHFFFAOYSA-N -1 3 320.349 1.581 20 5 DDBDHM CCCCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096988758 771557186 /nfs/dbraw/zinc/55/71/86/771557186.db2.gz LHEUDRSZXQGXRP-MGCOHNPYSA-N -1 3 308.338 1.945 20 5 DDBDHM O=C(CC(F)(F)F)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093510908 774758345 /nfs/dbraw/zinc/75/83/45/774758345.db2.gz ORHSCXQQBNRSRR-UHFFFAOYSA-N -1 3 308.216 1.176 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cnc[n-]c2=O)c1 ZINC001093942031 775245091 /nfs/dbraw/zinc/24/50/91/775245091.db2.gz MBBDPGALUNEURV-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM CN(CCNC(=O)c1cncs1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099950017 775464593 /nfs/dbraw/zinc/46/45/93/775464593.db2.gz IJRUHLKWNDWFTB-UHFFFAOYSA-N -1 3 323.334 1.018 20 5 DDBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cncs1 ZINC001094319600 775679887 /nfs/dbraw/zinc/67/98/87/775679887.db2.gz ODKYWGMMZNFGLK-UHFFFAOYSA-N -1 3 323.334 1.384 20 5 DDBDHM Cc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001094299229 775703020 /nfs/dbraw/zinc/70/30/20/775703020.db2.gz RASSGQDUISWSER-UHFFFAOYSA-N -1 3 320.305 1.829 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001175698009 777863965 /nfs/dbraw/zinc/86/39/65/777863965.db2.gz JTDWPXODDKOWED-VIFPVBQESA-N -1 3 308.729 1.751 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001175698009 777863973 /nfs/dbraw/zinc/86/39/73/777863973.db2.gz JTDWPXODDKOWED-VIFPVBQESA-N -1 3 308.729 1.751 20 5 DDBDHM Cc1nc(Cl)nc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001156280062 862898494 /nfs/dbraw/zinc/89/84/94/862898494.db2.gz WKWNCIPXHBNZEN-ZETCQYMHSA-N -1 3 312.717 1.271 20 5 DDBDHM COc1nc([N-][C@H]2C(=O)NCc3ccccc32)ncc1[N+](=O)[O-] ZINC001158896091 864961820 /nfs/dbraw/zinc/96/18/20/864961820.db2.gz ORASBODKHKUTLS-LLVKDONJSA-N -1 3 315.289 1.176 20 5 DDBDHM O=[N+]([O-])C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC001225667026 881966217 /nfs/dbraw/zinc/96/62/17/881966217.db2.gz NYRFMBGRFZFWMJ-SNVBAGLBSA-N -1 3 306.234 1.487 20 5 DDBDHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001324574418 867368729 /nfs/dbraw/zinc/36/87/29/867368729.db2.gz FALBHBDZJZFEJR-GFCCVEGCSA-N -1 3 324.333 1.869 20 5 DDBDHM CC(=O)c1cnc(=O)[n-]c1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001226237196 882298296 /nfs/dbraw/zinc/29/82/96/882298296.db2.gz HMJNESLKLDXIPI-SSDOTTSWSA-N -1 3 321.293 1.265 20 5 DDBDHM CO[C@@H](C)CO[C@H](C)COc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688076 883618144 /nfs/dbraw/zinc/61/81/44/883618144.db2.gz DIIRJFFWPPAESZ-DTWKUNHWSA-N -1 3 300.311 1.823 20 5 DDBDHM CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181981277 199370503 /nfs/dbraw/zinc/37/05/03/199370503.db2.gz TYWJWJGCJFPHOY-UHFFFAOYSA-N -1 3 307.350 1.714 20 5 DDBDHM CSCCO[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000280006774 215305895 /nfs/dbraw/zinc/30/58/95/215305895.db2.gz MUHMQNVLXCCWMC-UHFFFAOYSA-N -1 3 314.319 1.390 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000023390306 352183937 /nfs/dbraw/zinc/18/39/37/352183937.db2.gz BUEGSXRZGFTRGW-UHFFFAOYSA-N -1 3 323.330 1.477 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CC2CCC2)c([N+](=O)[O-])c1 ZINC000030360325 352252307 /nfs/dbraw/zinc/25/23/07/352252307.db2.gz FCFOOJOWTXKEJS-UHFFFAOYSA-N -1 3 300.336 1.682 20 5 DDBDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000490319015 234004740 /nfs/dbraw/zinc/00/47/40/234004740.db2.gz AFMSBSUDMBPPLH-UHFFFAOYSA-N -1 3 316.379 1.854 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000492080963 234379187 /nfs/dbraw/zinc/37/91/87/234379187.db2.gz AMVJCSYRMMXCRG-WAYWQWQTSA-N -1 3 316.273 1.756 20 5 DDBDHM COC(=O)c1nsc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000589826096 355022624 /nfs/dbraw/zinc/02/26/24/355022624.db2.gz PYQCRVINBLWPBR-UHFFFAOYSA-N -1 3 322.302 1.794 20 5 DDBDHM COc1cc(CN[C@@H]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000592424592 355579351 /nfs/dbraw/zinc/57/93/51/355579351.db2.gz XYIGHLNKKIYHQO-GXSJLCMTSA-N -1 3 324.333 1.955 20 5 DDBDHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593538004 355917848 /nfs/dbraw/zinc/91/78/48/355917848.db2.gz KMYYIANSIAGBNE-UHFFFAOYSA-N -1 3 303.340 1.083 20 5 DDBDHM O=C(N[C@H]1CCCN2CCCC[C@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000594418784 356204197 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cncn2C)c1C ZINC000349783386 284051453 /nfs/dbraw/zinc/05/14/53/284051453.db2.gz KYSYWAMTSAOBAJ-UHFFFAOYSA-N -1 3 324.362 1.424 20 5 DDBDHM Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566297558 304141298 /nfs/dbraw/zinc/14/12/98/304141298.db2.gz OEBOSLOFHSYMEX-MFKMUULPSA-N -1 3 305.334 1.742 20 5 DDBDHM O=C(c1csc(=O)[n-]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000350150519 284158835 /nfs/dbraw/zinc/15/88/35/284158835.db2.gz BXUALPGMEBJBEB-UHFFFAOYSA-N -1 3 305.315 1.955 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000266359312 205290735 /nfs/dbraw/zinc/29/07/35/205290735.db2.gz YVGUVCADIXITCC-QMMMGPOBSA-N -1 3 318.376 1.387 20 5 DDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268903373 207072122 /nfs/dbraw/zinc/07/21/22/207072122.db2.gz XEJZIARUOLSVNK-JTQLQIEISA-N -1 3 316.379 1.915 20 5 DDBDHM CC[C@@H](CCO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000120996781 195276758 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CCSCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093499280 774723414 /nfs/dbraw/zinc/72/34/14/774723414.db2.gz ZHSKZEQSULYCCI-UHFFFAOYSA-N -1 3 314.367 1.367 20 5 DDBDHM Cc1nc(NCCNC(=O)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001093482596 774731096 /nfs/dbraw/zinc/73/10/96/774731096.db2.gz LYHGLCMLATWEJR-UHFFFAOYSA-N -1 3 316.317 1.846 20 5 DDBDHM Cc1ccncc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093543947 774817701 /nfs/dbraw/zinc/81/77/01/774817701.db2.gz VLSWWZUPFXMRPU-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM CC(C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCC1 ZINC001093610188 774914416 /nfs/dbraw/zinc/91/44/16/774914416.db2.gz NSZUBVGXSULQGR-UHFFFAOYSA-N -1 3 306.322 1.724 20 5 DDBDHM CC/C=C(\C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094323283 775750727 /nfs/dbraw/zinc/75/07/27/775750727.db2.gz FJIHKGKKCWSIOX-BJMVGYQFSA-N -1 3 308.338 1.970 20 5 DDBDHM O=C(NCc1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306843205 871365957 /nfs/dbraw/zinc/36/59/57/871365957.db2.gz MZFPJVXOYHANAW-UHFFFAOYSA-N -1 3 313.273 1.502 20 5 DDBDHM COc1ncc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1[N+](=O)[O-] ZINC001210136227 875241848 /nfs/dbraw/zinc/24/18/48/875241848.db2.gz HISCXXPIINOZAP-UHFFFAOYSA-N -1 3 308.210 1.341 20 5 DDBDHM O=c1[n-]ccc(NC[C@H](CO)CC2CCOCC2)c1[N+](=O)[O-] ZINC001350480101 875714967 /nfs/dbraw/zinc/71/49/67/875714967.db2.gz NWCLTDHYDPCMOD-LLVKDONJSA-N -1 3 311.338 1.533 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc[nH]n2)c([N+](=O)[O-])s1 ZINC001211407381 875791367 /nfs/dbraw/zinc/79/13/67/875791367.db2.gz UWKLFBJQMRKFFV-LURJTMIESA-N -1 3 317.352 1.122 20 5 DDBDHM CC(=O)N1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227693648 883136685 /nfs/dbraw/zinc/13/66/85/883136685.db2.gz XHEDXQYJOOPWMY-VIFPVBQESA-N -1 3 305.294 1.256 20 5 DDBDHM CO[C@H](C)CO[C@@H](C)COc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688075 883619206 /nfs/dbraw/zinc/61/92/06/883619206.db2.gz DIIRJFFWPPAESZ-BDAKNGLRSA-N -1 3 300.311 1.823 20 5 DDBDHM CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182020075 199375696 /nfs/dbraw/zinc/37/56/96/199375696.db2.gz OGFXFRBGGOEWIR-NSHDSACASA-N -1 3 307.350 1.714 20 5 DDBDHM NC(=O)Cc1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000014331572 352150608 /nfs/dbraw/zinc/15/06/08/352150608.db2.gz OPZZAQTVUAICNM-UHFFFAOYSA-N -1 3 312.332 1.393 20 5 DDBDHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015358801 352154769 /nfs/dbraw/zinc/15/47/69/352154769.db2.gz KASWSOSWVORXMS-UHFFFAOYSA-N -1 3 316.335 1.215 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588876130 354945191 /nfs/dbraw/zinc/94/51/91/354945191.db2.gz VLXQFZFDSBGVSB-UHFFFAOYSA-N -1 3 304.306 1.289 20 5 DDBDHM C[C@@H]1C[C@H](N2CCCC2)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979531 355761983 /nfs/dbraw/zinc/76/19/83/355761983.db2.gz FGALBHLTECBPOA-MNOVXSKESA-N -1 3 320.349 1.751 20 5 DDBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCS1 ZINC000593561889 355926176 /nfs/dbraw/zinc/92/61/76/355926176.db2.gz ACUWHEPBPCILIJ-LLVKDONJSA-N -1 3 317.392 1.554 20 5 DDBDHM CCC[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOC1 ZINC000593599484 355937825 /nfs/dbraw/zinc/93/78/25/355937825.db2.gz VUQRPIJCJNQFFM-GFCCVEGCSA-N -1 3 315.351 1.227 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C1(CO)CC1 ZINC000594826219 356328917 /nfs/dbraw/zinc/32/89/17/356328917.db2.gz FSZGUHLUFSOTAH-SNVBAGLBSA-N -1 3 314.363 1.343 20 5 DDBDHM O=c1[n-]c(=O)n(CCOc2ccccc2[N+](=O)[O-])cc1Cl ZINC000081274191 192244048 /nfs/dbraw/zinc/24/40/48/192244048.db2.gz VTLFJTXFBOOAMF-UHFFFAOYSA-N -1 3 311.681 1.177 20 5 DDBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@]12CCCO2 ZINC000596192919 356808996 /nfs/dbraw/zinc/80/89/96/356808996.db2.gz YJMSGUTXMWLSLH-JTNHKYCSSA-N -1 3 309.322 1.834 20 5 DDBDHM Cn1c([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])nnc1C1CC1 ZINC000597898724 357376567 /nfs/dbraw/zinc/37/65/67/357376567.db2.gz PIRIPLRDYPTGAD-UHFFFAOYSA-N -1 3 305.269 1.992 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599482950 357952590 /nfs/dbraw/zinc/95/25/90/357952590.db2.gz RZWQRERAYCLZNG-PWSUYJOCSA-N -1 3 312.347 1.441 20 5 DDBDHM COC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601388720 358530067 /nfs/dbraw/zinc/53/00/67/358530067.db2.gz YQOFTBNSEJZUCZ-UHFFFAOYSA-N -1 3 320.392 1.812 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c(F)c1 ZINC000188316523 200226917 /nfs/dbraw/zinc/22/69/17/200226917.db2.gz FSKADKXTXJWNOQ-WPRPVWTQSA-N -1 3 318.326 1.173 20 5 DDBDHM CC[C@H](CN1CCCC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556702 360759176 /nfs/dbraw/zinc/75/91/76/360759176.db2.gz OCAGCGWETQWUOG-GFCCVEGCSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000612681142 361108367 /nfs/dbraw/zinc/10/83/67/361108367.db2.gz BPBSLTQCLVFOQD-UHFFFAOYSA-N -1 3 322.346 1.313 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000339056608 250272474 /nfs/dbraw/zinc/27/24/74/250272474.db2.gz NKPHFYQVLAAIHZ-JTQLQIEISA-N -1 3 320.392 1.668 20 5 DDBDHM Cc1cc(N2CCN(C(C)(C)C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000567983684 304258632 /nfs/dbraw/zinc/25/86/32/304258632.db2.gz NXUSHFFYGDOISF-UHFFFAOYSA-N -1 3 307.350 1.888 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000156820885 197142935 /nfs/dbraw/zinc/14/29/35/197142935.db2.gz SYUFYPWGPVKXMX-VIFPVBQESA-N -1 3 306.315 1.173 20 5 DDBDHM Cc1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000360023290 299582070 /nfs/dbraw/zinc/58/20/70/299582070.db2.gz KNZVLWPAGSOZIH-UHFFFAOYSA-N -1 3 323.330 1.482 20 5 DDBDHM COc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cccc1C(N)=O ZINC000359900697 306966741 /nfs/dbraw/zinc/96/67/41/306966741.db2.gz YMKPSUGAJIPXCT-UHFFFAOYSA-N -1 3 305.246 1.548 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278960671 292285961 /nfs/dbraw/zinc/28/59/61/292285961.db2.gz BIDBMQBVVHOEKH-AWEZNQCLSA-N -1 3 304.306 1.082 20 5 DDBDHM CCOC(=O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000070269113 406811944 /nfs/dbraw/zinc/81/19/44/406811944.db2.gz CQCATDZUUYBCNB-UHFFFAOYSA-N -1 3 316.335 1.216 20 5 DDBDHM Cn1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O ZINC000074049427 406900359 /nfs/dbraw/zinc/90/03/59/406900359.db2.gz CPNRHLGQTDHJTL-UHFFFAOYSA-N -1 3 309.303 1.094 20 5 DDBDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124312789 407353664 /nfs/dbraw/zinc/35/36/64/407353664.db2.gz KKRITZSPDLZRNI-UHFFFAOYSA-N -1 3 322.408 1.794 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000125000462 407375914 /nfs/dbraw/zinc/37/59/14/407375914.db2.gz NDUVGHUBZYZABS-DTWKUNHWSA-N -1 3 318.376 1.180 20 5 DDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126167193 407407262 /nfs/dbraw/zinc/40/72/62/407407262.db2.gz FJWGLWRUJANCHT-QMMMGPOBSA-N -1 3 308.743 1.297 20 5 DDBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228560784 407649737 /nfs/dbraw/zinc/64/97/37/407649737.db2.gz DCWZPOSNZNZRJC-GFCCVEGCSA-N -1 3 302.352 1.424 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000189952883 408139904 /nfs/dbraw/zinc/13/99/04/408139904.db2.gz XRHXRJNHDDJOKR-LLVKDONJSA-N -1 3 314.363 1.669 20 5 DDBDHM Cc1cc(C(=O)Nc2nnc(SCCO)[n-]2)ccc1[N+](=O)[O-] ZINC000268774871 408187560 /nfs/dbraw/zinc/18/75/60/408187560.db2.gz ZAFFEMNGKJCXOX-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1cc(C(=O)Nc2nc(SCCO)n[n-]2)ccc1[N+](=O)[O-] ZINC000268774871 408187566 /nfs/dbraw/zinc/18/75/66/408187566.db2.gz ZAFFEMNGKJCXOX-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)ccc1[N+](=O)[O-] ZINC000268774871 408187573 /nfs/dbraw/zinc/18/75/73/408187573.db2.gz ZAFFEMNGKJCXOX-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nncn2C)cc1SC ZINC000274232961 408334884 /nfs/dbraw/zinc/33/48/84/408334884.db2.gz UQHWXQZSZINARA-UHFFFAOYSA-N -1 3 323.334 1.706 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000183391188 408398027 /nfs/dbraw/zinc/39/80/27/408398027.db2.gz CMGIDPCWRNSDEN-JTQLQIEISA-N -1 3 300.336 1.442 20 5 DDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000269750440 408415190 /nfs/dbraw/zinc/41/51/90/408415190.db2.gz HFMDCEWWCFKOIV-JOYOIKCWSA-N -1 3 316.379 1.589 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000276277012 408828578 /nfs/dbraw/zinc/82/85/78/408828578.db2.gz WZGIDNYWVMRENF-UHFFFAOYSA-N -1 3 316.335 1.316 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000276906464 408902219 /nfs/dbraw/zinc/90/22/19/408902219.db2.gz WMBWUIJOBVWCGO-QWRGUYRKSA-N -1 3 314.363 1.667 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C(F)F)cc1C ZINC000228620317 163341855 /nfs/dbraw/zinc/34/18/55/163341855.db2.gz HIYDQBKJEJCUHQ-VIFPVBQESA-N -1 3 324.305 1.116 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000277635079 408982108 /nfs/dbraw/zinc/98/21/08/408982108.db2.gz BZTUSSDWPAFFPH-UHFFFAOYSA-N -1 3 306.322 1.006 20 5 DDBDHM C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000288331237 409162215 /nfs/dbraw/zinc/16/22/15/409162215.db2.gz JKHVMMOIHGJHJV-YPMHNXCESA-N -1 3 319.361 1.999 20 5 DDBDHM Cc1cc(OCC(=O)[N-]c2nncn2C2CC2)ccc1[N+](=O)[O-] ZINC000285568719 409491952 /nfs/dbraw/zinc/49/19/52/409491952.db2.gz AFAZJDPFVYTREH-UHFFFAOYSA-N -1 3 317.305 1.847 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000332199802 409970195 /nfs/dbraw/zinc/97/01/95/409970195.db2.gz SGPYOAWLLDPEMI-VXNVDRBHSA-N -1 3 302.327 1.977 20 5 DDBDHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000354762031 410069562 /nfs/dbraw/zinc/06/95/62/410069562.db2.gz AEQZAKHFFZTFHA-UHFFFAOYSA-N -1 3 321.268 1.976 20 5 DDBDHM Cc1[nH]nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000354823472 410111569 /nfs/dbraw/zinc/11/15/69/410111569.db2.gz BJEHRSHJDWYZIL-UHFFFAOYSA-N -1 3 314.265 1.059 20 5 DDBDHM Cc1[nH]nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000354823472 410111573 /nfs/dbraw/zinc/11/15/73/410111573.db2.gz BJEHRSHJDWYZIL-UHFFFAOYSA-N -1 3 314.265 1.059 20 5 DDBDHM Cn1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000357710093 410200843 /nfs/dbraw/zinc/20/08/43/410200843.db2.gz UMQGBVYKYFGWFA-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM Cn1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000357710093 410200850 /nfs/dbraw/zinc/20/08/50/410200850.db2.gz UMQGBVYKYFGWFA-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM COc1cnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])nc1 ZINC000357713025 410204023 /nfs/dbraw/zinc/20/40/23/410204023.db2.gz SDVYPIMRAPXPGD-UHFFFAOYSA-N -1 3 306.278 1.720 20 5 DDBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)Nc1ccncc1[N+](=O)[O-] ZINC000346886279 410220697 /nfs/dbraw/zinc/22/06/97/410220697.db2.gz HZFFYCLWKSXIAB-NSHDSACASA-N -1 3 318.293 1.630 20 5 DDBDHM C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330450119 410700499 /nfs/dbraw/zinc/70/04/99/410700499.db2.gz ILXYBLBIUZGOSY-LBPRGKRZSA-N -1 3 323.393 1.577 20 5 DDBDHM CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359634654 410786875 /nfs/dbraw/zinc/78/68/75/410786875.db2.gz DSEWPFHOHWPYAV-UHFFFAOYSA-N -1 3 319.247 1.869 20 5 DDBDHM CCn1nc(C)c([N+](=O)[O-])c1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359634654 410786883 /nfs/dbraw/zinc/78/68/83/410786883.db2.gz DSEWPFHOHWPYAV-UHFFFAOYSA-N -1 3 319.247 1.869 20 5 DDBDHM CCn1nc(C)c([N+](=O)[O-])c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359634654 410786888 /nfs/dbraw/zinc/78/68/88/410786888.db2.gz DSEWPFHOHWPYAV-UHFFFAOYSA-N -1 3 319.247 1.869 20 5 DDBDHM CN1CCC[C@]2(CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000356308520 410958125 /nfs/dbraw/zinc/95/81/25/410958125.db2.gz DDCJTPZZYFXJTM-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM CS(=O)(=O)c1cccc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC000359907371 410945640 /nfs/dbraw/zinc/94/56/40/410945640.db2.gz VYVVTYNKHGXYBH-UHFFFAOYSA-N -1 3 323.330 1.711 20 5 DDBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000132896531 196294318 /nfs/dbraw/zinc/29/43/18/196294318.db2.gz JEJXONPFDVEENC-ZETCQYMHSA-N -1 3 310.289 1.496 20 5 DDBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000132896531 196294320 /nfs/dbraw/zinc/29/43/20/196294320.db2.gz JEJXONPFDVEENC-ZETCQYMHSA-N -1 3 310.289 1.496 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCCCO ZINC000295845326 225303379 /nfs/dbraw/zinc/30/33/79/225303379.db2.gz WRKUFQQWLKCMEH-LLVKDONJSA-N -1 3 316.379 1.733 20 5 DDBDHM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCC(=O)[O-] ZINC000430674881 420176956 /nfs/dbraw/zinc/17/69/56/420176956.db2.gz CPPROFMUJYJPBD-JTQLQIEISA-N -1 3 309.322 1.718 20 5 DDBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000416585728 420426361 /nfs/dbraw/zinc/42/63/61/420426361.db2.gz OJGPDVOABYTWTH-QMMMGPOBSA-N -1 3 322.408 1.916 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000440382333 420571276 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CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000342127715 271308866 /nfs/dbraw/zinc/30/88/66/271308866.db2.gz KBPPZFKZFMEDTK-VHSXEESVSA-N -1 3 302.352 1.605 20 5 DDBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342197962 271337085 /nfs/dbraw/zinc/33/70/85/271337085.db2.gz ZJCJPLWHADUQJU-RNFRBKRXSA-N -1 3 308.381 1.666 20 5 DDBDHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)cc([N+](=O)[O-])c1 ZINC000345090308 272170170 /nfs/dbraw/zinc/17/01/70/272170170.db2.gz GJYWLRTVHAMTJU-UHFFFAOYSA-N -1 3 302.290 1.637 20 5 DDBDHM C[C@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000286356263 280161218 /nfs/dbraw/zinc/16/12/18/280161218.db2.gz LSFWMWOLJXVFBI-SWLSCSKDSA-N -1 3 318.333 1.552 20 5 DDBDHM COC(=O)c1cc(C(=O)[N-]c2nocc2C)cc([N+](=O)[O-])c1 ZINC000124065012 281183200 /nfs/dbraw/zinc/18/32/00/281183200.db2.gz KHUOYCGAOOWDSX-UHFFFAOYSA-N -1 3 305.246 1.930 20 5 DDBDHM O=C([N-]c1ccc(N2CCCC2=O)cn1)c1ccc([N+](=O)[O-])o1 ZINC000151672890 281695178 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Cc1ccc(C(N)=O)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362347058 307017271 /nfs/dbraw/zinc/01/72/71/307017271.db2.gz QIKJLVAHCPNXMQ-UHFFFAOYSA-N -1 3 316.273 1.355 20 5 DDBDHM COC(=O)c1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000548519308 307774521 /nfs/dbraw/zinc/77/45/21/307774521.db2.gz ZATFODWQURSFGG-UHFFFAOYSA-N -1 3 323.286 1.796 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000566717916 308061338 /nfs/dbraw/zinc/06/13/38/308061338.db2.gz XRKBJNVVTSXZSZ-JTQLQIEISA-N -1 3 304.306 1.145 20 5 DDBDHM Cn1cnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000576726762 308335549 /nfs/dbraw/zinc/33/55/49/308335549.db2.gz KBUUSUWTRORFGB-UHFFFAOYSA-N -1 3 313.220 1.577 20 5 DDBDHM CS[C@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737172272 598854083 /nfs/dbraw/zinc/85/40/83/598854083.db2.gz SIDXQMAHRJWSEE-RDDDGLTNSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@H](CO)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737172272 598854085 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O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000823630083 599686200 /nfs/dbraw/zinc/68/62/00/599686200.db2.gz QTKNMWMYTXOTHQ-AOOOYVTPSA-N -1 3 302.294 1.143 20 5 DDBDHM C[C@@H]1COCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000825006790 607821702 /nfs/dbraw/zinc/82/17/02/607821702.db2.gz PTQFQKNIUHXHPG-VIFPVBQESA-N -1 3 304.310 1.248 20 5 DDBDHM C[C@@H]1COCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000825006790 607821703 /nfs/dbraw/zinc/82/17/03/607821703.db2.gz PTQFQKNIUHXHPG-VIFPVBQESA-N -1 3 304.310 1.248 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CC[C@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639726 606803082 /nfs/dbraw/zinc/80/30/82/606803082.db2.gz GICBJSQAUWQCPX-AWEZNQCLSA-N -1 3 316.321 1.392 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CC[C@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639726 606803084 /nfs/dbraw/zinc/80/30/84/606803084.db2.gz GICBJSQAUWQCPX-AWEZNQCLSA-N -1 3 316.321 1.392 20 5 DDBDHM CCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000825258419 607969423 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320.305 1.321 20 5 DDBDHM C[C@H](CN1CCCCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186910523 200029331 /nfs/dbraw/zinc/02/93/31/200029331.db2.gz NBSIHLWSPMKJQM-SNVBAGLBSA-N -1 3 308.338 1.300 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000188905403 200319793 /nfs/dbraw/zinc/31/97/93/200319793.db2.gz ISSUXUKJHXBOKN-WDEREUQCSA-N -1 3 314.363 1.424 20 5 DDBDHM CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000611289685 360691203 /nfs/dbraw/zinc/69/12/03/360691203.db2.gz FJJLSFMBYYVSSF-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000416649464 307299702 /nfs/dbraw/zinc/29/97/02/307299702.db2.gz POSMSQGMONIYRJ-VIFPVBQESA-N -1 3 312.347 1.682 20 5 DDBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158005340 197234652 /nfs/dbraw/zinc/23/46/52/197234652.db2.gz QHWSVYWZIMVZJR-SSDOTTSWSA-N -1 3 308.356 1.764 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c1C ZINC000120581661 195194958 /nfs/dbraw/zinc/19/49/58/195194958.db2.gz WRLKUMXGSRRCCJ-GFCCVEGCSA-N -1 3 316.379 1.507 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000076309111 406963323 /nfs/dbraw/zinc/96/33/23/406963323.db2.gz BFUJDYIIAHGZMF-JTQLQIEISA-N -1 3 312.347 1.990 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccco2)c(F)c1 ZINC000048659514 407103444 /nfs/dbraw/zinc/10/34/44/407103444.db2.gz VVECYLIEPNDNRC-UHFFFAOYSA-N -1 3 300.267 1.805 20 5 DDBDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048907707 407109400 /nfs/dbraw/zinc/10/94/00/407109400.db2.gz ZESNOVVKERVJHV-MRVPVSSYSA-N -1 3 319.770 1.231 20 5 DDBDHM CC(C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000087040078 407116285 /nfs/dbraw/zinc/11/62/85/407116285.db2.gz NHHJEVLMVFICBI-UHFFFAOYSA-N -1 3 308.743 1.297 20 5 DDBDHM Cc1cccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC000179053213 292422324 /nfs/dbraw/zinc/42/23/24/292422324.db2.gz PSUCNACULUNLSG-UHFFFAOYSA-N -1 3 314.301 1.185 20 5 DDBDHM COCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055242615 407198429 /nfs/dbraw/zinc/19/84/29/407198429.db2.gz LIVIPFSYLLKGCX-UHFFFAOYSA-N -1 3 306.315 1.439 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)CCO)cc1C ZINC000097445026 407293909 /nfs/dbraw/zinc/29/39/09/407293909.db2.gz FBZCAJHBTJIJFY-VIFPVBQESA-N -1 3 316.379 1.508 20 5 DDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000122803431 407311038 /nfs/dbraw/zinc/31/10/38/407311038.db2.gz RECRBJXLRJSPBJ-ZETCQYMHSA-N -1 3 308.743 1.216 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000124846184 407371297 /nfs/dbraw/zinc/37/12/97/407371297.db2.gz OMKCRFXSRKLBFV-SSDOTTSWSA-N -1 3 308.381 1.262 20 5 DDBDHM CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108873736 407391444 /nfs/dbraw/zinc/39/14/44/407391444.db2.gz DWVWENIWKFRGGR-UHFFFAOYSA-N -1 3 309.141 1.656 20 5 DDBDHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185706665 407481741 /nfs/dbraw/zinc/48/17/41/407481741.db2.gz VSZXEHAUDPPJOV-LBPRGKRZSA-N -1 3 308.338 1.108 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@H](C)CO ZINC000230153861 407681320 /nfs/dbraw/zinc/68/13/20/407681320.db2.gz MHXDBRNSRBRWJJ-JTQLQIEISA-N -1 3 316.379 1.590 20 5 DDBDHM CCc1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000236962843 407787544 /nfs/dbraw/zinc/78/75/44/407787544.db2.gz KBNFEZOSWNKDNH-UHFFFAOYSA-N -1 3 323.349 1.246 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000263735268 408232051 /nfs/dbraw/zinc/23/20/51/408232051.db2.gz ZBNHUQMOJPCNEE-VIFPVBQESA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC000158492746 408341584 /nfs/dbraw/zinc/34/15/84/408341584.db2.gz OLCCVPHVCPLTGC-GFCCVEGCSA-N -1 3 300.336 1.361 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C ZINC000270625205 408609943 /nfs/dbraw/zinc/60/99/43/408609943.db2.gz KZEWUAHASAAUCE-WPRPVWTQSA-N -1 3 316.335 1.059 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190002808 163127429 /nfs/dbraw/zinc/12/74/29/163127429.db2.gz RVRBIHLOKNKTNG-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000194474840 163283889 /nfs/dbraw/zinc/28/38/89/163283889.db2.gz NHOCDEIUXQICMR-MRVPVSSYSA-N -1 3 322.770 1.809 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C[C@H](C)O ZINC000228203154 163340674 /nfs/dbraw/zinc/34/06/74/163340674.db2.gz QBPGEWAZHDJFOM-BDAKNGLRSA-N -1 3 318.351 1.041 20 5 DDBDHM C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287105851 409004119 /nfs/dbraw/zinc/00/41/19/409004119.db2.gz LOEGXVZPLWBILT-SMDDNHRTSA-N -1 3 319.361 1.999 20 5 DDBDHM CN1CCC[C@@]2(CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)C1 ZINC000294174906 409254148 /nfs/dbraw/zinc/25/41/48/409254148.db2.gz OTOLGQLXJJZLFQ-MRXNPFEDSA-N -1 3 319.361 1.858 20 5 DDBDHM CC(C)c1nn(C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280152114 409260096 /nfs/dbraw/zinc/26/00/96/409260096.db2.gz DEXZGKFRPTYDKC-UHFFFAOYSA-N -1 3 305.294 1.805 20 5 DDBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295299505 409420159 /nfs/dbraw/zinc/42/01/59/409420159.db2.gz NZTAIYOVLIXKJU-VIFPVBQESA-N -1 3 320.342 1.421 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000337945132 409587709 /nfs/dbraw/zinc/58/77/09/409587709.db2.gz UWLSUOAERBXIOW-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CCn2cccc2)cc1[N+](=O)[O-] ZINC000342484164 409667100 /nfs/dbraw/zinc/66/71/00/409667100.db2.gz FEWHRLKOLOYQLF-UHFFFAOYSA-N -1 3 315.376 1.745 20 5 DDBDHM Cc1nonc1[N-]C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000298550062 410286696 /nfs/dbraw/zinc/28/66/96/410286696.db2.gz CFJADEVKUVCVQA-UHFFFAOYSA-N -1 3 309.257 1.744 20 5 DDBDHM COC(=O)c1ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000355324214 410440685 /nfs/dbraw/zinc/44/06/85/410440685.db2.gz XTHGDTORKCQUGL-UHFFFAOYSA-N -1 3 310.291 1.429 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCN1C ZINC000299216614 410570809 /nfs/dbraw/zinc/57/08/09/410570809.db2.gz HYJXEZFTUZMZGX-LLVKDONJSA-N -1 3 313.379 1.276 20 5 DDBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-]Cc2ncn(C)n2)c1[N+](=O)[O-] ZINC000301937617 410831990 /nfs/dbraw/zinc/83/19/90/410831990.db2.gz TYWVXCNAKKLFAD-UHFFFAOYSA-N -1 3 322.281 1.044 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000359770184 410864839 /nfs/dbraw/zinc/86/48/39/410864839.db2.gz TVRUNZNUERZZJP-UHFFFAOYSA-N -1 3 306.290 1.918 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000337772715 410992551 /nfs/dbraw/zinc/99/25/51/410992551.db2.gz DCPREYYNSDHLNI-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H]3CCN(C)C[C@@H]32)n1 ZINC000580452354 422935673 /nfs/dbraw/zinc/93/56/73/422935673.db2.gz YZTNFMCGAHHUCD-PWSUYJOCSA-N -1 3 320.349 1.527 20 5 DDBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000360821947 418526478 /nfs/dbraw/zinc/52/64/78/418526478.db2.gz NTTWYPQKUYZPJF-UHFFFAOYSA-N -1 3 315.211 1.662 20 5 DDBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000360821947 418526480 /nfs/dbraw/zinc/52/64/80/418526480.db2.gz NTTWYPQKUYZPJF-UHFFFAOYSA-N -1 3 315.211 1.662 20 5 DDBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC000360821947 418526483 /nfs/dbraw/zinc/52/64/83/418526483.db2.gz NTTWYPQKUYZPJF-UHFFFAOYSA-N -1 3 315.211 1.662 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000191276556 222099886 /nfs/dbraw/zinc/09/98/86/222099886.db2.gz ZSJVVUCRRRJOTH-UHFFFAOYSA-N -1 3 313.277 1.161 20 5 DDBDHM CC[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000354576437 418647353 /nfs/dbraw/zinc/64/73/53/418647353.db2.gz LRRXDIBOTLMYDL-NSHDSACASA-N -1 3 313.321 1.780 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(COC)cs2)n1 ZINC000427594255 419689130 /nfs/dbraw/zinc/68/91/30/419689130.db2.gz PGVKHNGUKCHXKF-UHFFFAOYSA-N -1 3 311.323 1.666 20 5 DDBDHM O=C(c1csc(=O)[n-]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427987817 419780496 /nfs/dbraw/zinc/78/04/96/419780496.db2.gz MCYAAQUNJGMODN-UHFFFAOYSA-N -1 3 321.314 1.792 20 5 DDBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000420709878 420365685 /nfs/dbraw/zinc/36/56/85/420365685.db2.gz TZSYMKIFWVEDPQ-SECBINFHSA-N -1 3 302.352 1.928 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)O1 ZINC000416532285 420409080 /nfs/dbraw/zinc/40/90/80/420409080.db2.gz IIXVZGRTMBKWOO-WDEREUQCSA-N -1 3 314.363 1.749 20 5 DDBDHM C[C@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CN1C1CC1 ZINC000578511305 422585614 /nfs/dbraw/zinc/58/56/14/422585614.db2.gz NHJWKFWQOKRXRN-DTWKUNHWSA-N -1 3 306.322 1.725 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000125825262 281217479 /nfs/dbraw/zinc/21/74/79/281217479.db2.gz BUFYYSVSXDGMON-YFKPBYRVSA-N -1 3 317.352 1.122 20 5 DDBDHM C[C@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130405833 281379958 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/nfs/dbraw/zinc/39/41/73/284394173.db2.gz YRHXCKACUCWUKB-NWALNABHSA-N -1 3 320.392 1.570 20 5 DDBDHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000040794395 183134506 /nfs/dbraw/zinc/13/45/06/183134506.db2.gz QDYKVBUOEPCWQE-SNVBAGLBSA-N -1 3 302.352 1.280 20 5 DDBDHM Cc1nc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)cn1C ZINC000066102200 184389519 /nfs/dbraw/zinc/38/95/19/184389519.db2.gz URCUJDIOSBJWHL-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM Cc1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000359801793 207385031 /nfs/dbraw/zinc/38/50/31/207385031.db2.gz XZDJLILXURIBKY-UHFFFAOYSA-N -1 3 321.358 1.819 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ncccc1[O-] ZINC000352509369 285100533 /nfs/dbraw/zinc/10/05/33/285100533.db2.gz PFQLAJYUXCNULX-UHFFFAOYSA-N -1 3 303.274 1.634 20 5 DDBDHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000120526004 195183709 /nfs/dbraw/zinc/18/37/09/195183709.db2.gz HPSRYPANPZUQAO-SFYZADRCSA-N -1 3 322.770 1.543 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CC[C@@H](C)C1 ZINC000330733443 533229301 /nfs/dbraw/zinc/22/93/01/533229301.db2.gz LSTHLIANFBPNQF-SECBINFHSA-N -1 3 315.351 1.602 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000094946898 407205022 /nfs/dbraw/zinc/20/50/22/407205022.db2.gz IBOMXQUWEFMEIR-VIFPVBQESA-N -1 3 318.351 1.043 20 5 DDBDHM COCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123575442 407333074 /nfs/dbraw/zinc/33/30/74/407333074.db2.gz QJNMLHCSKGZWKZ-UHFFFAOYSA-N -1 3 308.381 1.668 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000101577792 407311808 /nfs/dbraw/zinc/31/18/08/407311808.db2.gz FFOMILVVKRGSDZ-QMMMGPOBSA-N -1 3 322.770 1.952 20 5 DDBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[S@](C)=O ZINC000124203432 407351624 /nfs/dbraw/zinc/35/16/24/407351624.db2.gz YDUCJNUWQNOVQC-ZRNGKTOUSA-N -1 3 320.392 1.030 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000124238684 407351902 /nfs/dbraw/zinc/35/19/02/407351902.db2.gz OUECBJRISIWTAW-VIFPVBQESA-N -1 3 322.408 1.650 20 5 DDBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128787023 407571914 /nfs/dbraw/zinc/57/19/14/407571914.db2.gz YQCIWYHILGAFJU-JTQLQIEISA-N -1 3 316.379 1.670 20 5 DDBDHM CCOc1cc(N(C)C[C@@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000129856473 407631405 /nfs/dbraw/zinc/63/14/05/407631405.db2.gz LZFUIEZASUYWNP-SECBINFHSA-N -1 3 306.326 1.747 20 5 DDBDHM CCOc1cc(N(C)C[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000129856473 407631409 /nfs/dbraw/zinc/63/14/09/407631409.db2.gz LZFUIEZASUYWNP-SECBINFHSA-N -1 3 306.326 1.747 20 5 DDBDHM CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186497226 407684223 /nfs/dbraw/zinc/68/42/23/407684223.db2.gz RHSLAMBBTFZCFL-LLVKDONJSA-N -1 3 307.350 1.714 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCn2cccc2)cc1C ZINC000267294473 407824473 /nfs/dbraw/zinc/82/44/73/407824473.db2.gz SJHZRFFJUSTEBF-UHFFFAOYSA-N -1 3 323.374 1.992 20 5 DDBDHM CCN1CCC[C@H]1CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119117138 408000025 /nfs/dbraw/zinc/00/00/25/408000025.db2.gz FDUKWTQWFXEZPA-LBPRGKRZSA-N -1 3 307.350 1.857 20 5 DDBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000191049179 408364851 /nfs/dbraw/zinc/36/48/51/408364851.db2.gz JKSGBKPLRBQBEB-MNOVXSKESA-N -1 3 314.363 1.749 20 5 DDBDHM Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000161476820 408608307 /nfs/dbraw/zinc/60/83/07/408608307.db2.gz XIWXDGKKVCCOBB-ZETCQYMHSA-N -1 3 305.294 1.088 20 5 DDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192646785 408624963 /nfs/dbraw/zinc/62/49/63/408624963.db2.gz ZAJZBEXLTFMJHT-MEBBXXQBSA-N -1 3 318.333 1.330 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2CC)c1 ZINC000285794903 408866410 /nfs/dbraw/zinc/86/64/10/408866410.db2.gz MMUWLZDGAIPSPE-UHFFFAOYSA-N -1 3 305.294 1.857 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C[C@@H](C)O ZINC000228204608 163340301 /nfs/dbraw/zinc/34/03/01/163340301.db2.gz UKPTWVFFUDWMQM-NXEZZACHSA-N -1 3 302.352 1.341 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C)n2C)c1 ZINC000283061467 409079999 /nfs/dbraw/zinc/07/99/99/409079999.db2.gz IHKQEXJACIXMGL-UHFFFAOYSA-N -1 3 305.294 1.683 20 5 DDBDHM COc1cc(CNCc2cc(C)nn2C)c([N+](=O)[O-])cc1[O-] ZINC000284069258 409268400 /nfs/dbraw/zinc/26/84/00/409268400.db2.gz UIKUUDKQYVPUDK-UHFFFAOYSA-N -1 3 306.322 1.641 20 5 DDBDHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344917429 409554782 /nfs/dbraw/zinc/55/47/82/409554782.db2.gz QRVHZEZGPOEMRR-QMMMGPOBSA-N -1 3 321.786 1.477 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000297265318 409883074 /nfs/dbraw/zinc/88/30/74/409883074.db2.gz YYWOGABTJOLNSQ-UHFFFAOYSA-N -1 3 324.305 1.927 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc1C ZINC000299113865 410531534 /nfs/dbraw/zinc/53/15/34/410531534.db2.gz ZHZTXWLVKWVPEH-NSHDSACASA-N -1 3 314.363 1.669 20 5 DDBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352982116 410716319 /nfs/dbraw/zinc/71/63/19/410716319.db2.gz HHNVKBJPQKLHTJ-GFCCVEGCSA-N -1 3 320.280 2.561 20 5 DDBDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343962758 410852635 /nfs/dbraw/zinc/85/26/35/410852635.db2.gz CNBDLTGLTFYFNN-WDEREUQCSA-N -1 3 313.379 1.356 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000343988603 410868754 /nfs/dbraw/zinc/86/87/54/410868754.db2.gz BSGJLYLMTOTKNB-LLVKDONJSA-N -1 3 314.363 1.608 20 5 DDBDHM O=C([N-]c1nnc2ccccn21)c1ccc([N+](=O)[O-])cc1F ZINC000054773572 418480838 /nfs/dbraw/zinc/48/08/38/418480838.db2.gz SCIUBXGGQKJAMS-UHFFFAOYSA-N -1 3 301.237 2.029 20 5 DDBDHM COc1cc(CNc2nnc3ccccn32)c([N+](=O)[O-])cc1[O-] ZINC000354875316 418647757 /nfs/dbraw/zinc/64/77/57/418647757.db2.gz GYGJZWVSWCSGFR-UHFFFAOYSA-N -1 3 315.289 1.964 20 5 DDBDHM C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339201367 278100588 /nfs/dbraw/zinc/10/05/88/278100588.db2.gz GQJMSOCKENHBQK-IUODEOHRSA-N -1 3 321.377 1.595 20 5 DDBDHM C[C@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000085990612 281015202 /nfs/dbraw/zinc/01/52/02/281015202.db2.gz VDBPGOYZPINFSY-ZETCQYMHSA-N -1 3 308.743 1.297 20 5 DDBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nn1C ZINC000151081428 281666214 /nfs/dbraw/zinc/66/62/14/281666214.db2.gz DJORVYFYDOAONM-UHFFFAOYSA-N -1 3 300.278 1.765 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000191215409 293444484 /nfs/dbraw/zinc/44/44/84/293444484.db2.gz CSMXOUFPEQVPPK-JTQLQIEISA-N -1 3 302.352 1.525 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000288331231 300421348 /nfs/dbraw/zinc/42/13/48/300421348.db2.gz JKHVMMOIHGJHJV-WCQYABFASA-N -1 3 319.361 1.999 20 5 DDBDHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355874987 306817483 /nfs/dbraw/zinc/81/74/83/306817483.db2.gz AEMMHAYTNNYABB-MRVPVSSYSA-N -1 3 303.315 1.875 20 5 DDBDHM COc1ccc(OCCN2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000564662685 308002334 /nfs/dbraw/zinc/00/23/34/308002334.db2.gz SJPYXXVIIZELLG-HNNXBMFYSA-N -1 3 324.333 1.779 20 5 DDBDHM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000565035711 308017401 /nfs/dbraw/zinc/01/74/01/308017401.db2.gz OSVYBCJZUDBEJN-JTQLQIEISA-N -1 3 320.349 1.609 20 5 DDBDHM CC(C)c1nc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000445133311 528300962 /nfs/dbraw/zinc/30/09/62/528300962.db2.gz GYHIRSARJBKPSJ-SSDOTTSWSA-N -1 3 320.309 1.428 20 5 DDBDHM CCC1(O)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820966351 599060087 /nfs/dbraw/zinc/06/00/87/599060087.db2.gz CKGCWPPSPKZHTH-UHFFFAOYSA-N -1 3 318.337 1.516 20 5 DDBDHM CCC1(O)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820966351 599060089 /nfs/dbraw/zinc/06/00/89/599060089.db2.gz CKGCWPPSPKZHTH-UHFFFAOYSA-N -1 3 318.337 1.516 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOC1CCC1 ZINC000823629963 599084679 /nfs/dbraw/zinc/08/46/79/599084679.db2.gz OFJTVQRPMORUTN-UHFFFAOYSA-N -1 3 304.310 1.756 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOC1CCC1 ZINC000823629963 599084681 /nfs/dbraw/zinc/08/46/81/599084681.db2.gz OFJTVQRPMORUTN-UHFFFAOYSA-N -1 3 304.310 1.756 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCC[C@@H]1O ZINC000738358526 599324996 /nfs/dbraw/zinc/32/49/96/599324996.db2.gz MTYZCQDUCSFRBC-CABZTGNLSA-N -1 3 304.310 1.348 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[C@@H]1O ZINC000738358526 599324998 /nfs/dbraw/zinc/32/49/98/599324998.db2.gz MTYZCQDUCSFRBC-CABZTGNLSA-N -1 3 304.310 1.348 20 5 DDBDHM CC[C@@H](O)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820931305 599580929 /nfs/dbraw/zinc/58/09/29/599580929.db2.gz DQJAOQWVSRRREF-SNVBAGLBSA-N -1 3 306.326 1.738 20 5 DDBDHM CC[C@@H](O)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820931305 599580932 /nfs/dbraw/zinc/58/09/32/599580932.db2.gz DQJAOQWVSRRREF-SNVBAGLBSA-N -1 3 306.326 1.738 20 5 DDBDHM C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739183672 602790564 /nfs/dbraw/zinc/79/05/64/602790564.db2.gz HKYXALOPLNDUIT-SMDDNHRTSA-N -1 3 323.349 1.952 20 5 DDBDHM COC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821684734 606425366 /nfs/dbraw/zinc/42/53/66/606425366.db2.gz IXPYQXAGAUSQFF-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM COC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821684734 606425367 /nfs/dbraw/zinc/42/53/67/606425367.db2.gz IXPYQXAGAUSQFF-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM CN(Cc1ccncc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821615518 606644993 /nfs/dbraw/zinc/64/49/93/606644993.db2.gz ABVSFLYHTANWEN-UHFFFAOYSA-N -1 3 311.305 1.806 20 5 DDBDHM O=[N+]([O-])c1ccnn1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823646931 606868178 /nfs/dbraw/zinc/86/81/78/606868178.db2.gz DEQAOIFUMAGOCD-UHFFFAOYSA-N -1 3 315.293 1.441 20 5 DDBDHM O=[N+]([O-])c1ccnn1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823646931 606868180 /nfs/dbraw/zinc/86/81/80/606868180.db2.gz DEQAOIFUMAGOCD-UHFFFAOYSA-N -1 3 315.293 1.441 20 5 DDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000823651540 606882666 /nfs/dbraw/zinc/88/26/66/606882666.db2.gz NFILXBKDGZUDDA-ZCFIWIBFSA-N -1 3 311.252 1.770 20 5 DDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000823651540 606882667 /nfs/dbraw/zinc/88/26/67/606882667.db2.gz NFILXBKDGZUDDA-ZCFIWIBFSA-N -1 3 311.252 1.770 20 5 DDBDHM C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[S@@](C)=O ZINC000820240527 607041510 /nfs/dbraw/zinc/04/15/10/607041510.db2.gz CGUIOFJURDLOKF-CWMRNNLJSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[S@@](C)=O ZINC000820240527 607041512 /nfs/dbraw/zinc/04/15/12/607041512.db2.gz CGUIOFJURDLOKF-CWMRNNLJSA-N -1 3 324.366 1.344 20 5 DDBDHM CC1(C)OC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC000820606974 607225663 /nfs/dbraw/zinc/22/56/63/607225663.db2.gz HHTHMKFFKTZNRY-SECBINFHSA-N -1 3 320.309 1.338 20 5 DDBDHM CC1(C)OC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC000820606974 607225664 /nfs/dbraw/zinc/22/56/64/607225664.db2.gz HHTHMKFFKTZNRY-SECBINFHSA-N -1 3 320.309 1.338 20 5 DDBDHM O=[N+]([O-])c1cccnc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826500696 607936015 /nfs/dbraw/zinc/93/60/15/607936015.db2.gz IGISNKSSRUNTGP-UHFFFAOYSA-N -1 3 309.289 1.864 20 5 DDBDHM O=[N+]([O-])c1cccnc1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826500696 607936016 /nfs/dbraw/zinc/93/60/16/607936016.db2.gz IGISNKSSRUNTGP-UHFFFAOYSA-N -1 3 309.289 1.864 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC000826498634 608077456 /nfs/dbraw/zinc/07/74/56/608077456.db2.gz DCCQUFODAXPQMO-ZDUSSCGKSA-N -1 3 316.321 1.390 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC000826498634 608077457 /nfs/dbraw/zinc/07/74/57/608077457.db2.gz DCCQUFODAXPQMO-ZDUSSCGKSA-N -1 3 316.321 1.390 20 5 DDBDHM C[C@H](Cn1ccnc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824465767 608364924 /nfs/dbraw/zinc/36/49/24/608364924.db2.gz SDVHOLMZUXIDML-SECBINFHSA-N -1 3 314.309 1.472 20 5 DDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OC1CCOCC1 ZINC000773932345 697824287 /nfs/dbraw/zinc/82/42/87/697824287.db2.gz UIRFLQSKAJXNOX-UHFFFAOYSA-N -1 3 310.306 1.591 20 5 DDBDHM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000780394347 698515241 /nfs/dbraw/zinc/51/52/41/698515241.db2.gz JVJKOPNVYNQDBP-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000736800790 699732487 /nfs/dbraw/zinc/73/24/87/699732487.db2.gz PCTCPTQOAUDYFJ-UHFFFAOYSA-N -1 3 321.241 1.619 20 5 DDBDHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845883434 703212260 /nfs/dbraw/zinc/21/22/60/703212260.db2.gz PURDPJDAZPOXSV-WPRPVWTQSA-N -1 3 317.392 1.552 20 5 DDBDHM COC(=O)CCCO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000819932391 704188228 /nfs/dbraw/zinc/18/82/28/704188228.db2.gz MLQPLOFQHAZTRY-UHFFFAOYSA-N -1 3 316.697 1.863 20 5 DDBDHM 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Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301562069 871000886 /nfs/dbraw/zinc/00/08/86/871000886.db2.gz RFLJVYDTZIAULG-JTQLQIEISA-N -1 3 304.306 1.145 20 5 DDBDHM O=[N+]([O-])c1ccc2oc(CN3CC[C@H](c4nnn[n-]4)C3)nc2c1 ZINC001308035714 871464807 /nfs/dbraw/zinc/46/48/07/871464807.db2.gz RULSHLPCYRZOIF-QMMMGPOBSA-N -1 3 315.293 1.239 20 5 DDBDHM O=[N+]([O-])c1ccc2oc(CN3CC[C@H](c4nn[n-]n4)C3)nc2c1 ZINC001308035714 871464819 /nfs/dbraw/zinc/46/48/19/871464819.db2.gz RULSHLPCYRZOIF-QMMMGPOBSA-N -1 3 315.293 1.239 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCCO)c([N+](=O)[O-])s1 ZINC001210717187 875495783 /nfs/dbraw/zinc/49/57/83/875495783.db2.gz MDFZVJLULAIUEP-SSDOTTSWSA-N -1 3 308.381 1.404 20 5 DDBDHM O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300194204 877113644 /nfs/dbraw/zinc/11/36/44/877113644.db2.gz KMOYMEDWWYRJGV-QMMMGPOBSA-N -1 3 320.280 1.792 20 5 DDBDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691424 883134251 /nfs/dbraw/zinc/13/42/51/883134251.db2.gz OCGMTQPXVLGBNI-APPZFPTMSA-N -1 3 306.278 1.587 20 5 DDBDHM COC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F ZINC001228686969 883618286 /nfs/dbraw/zinc/61/82/86/883618286.db2.gz SJCDUPLCSOQLSU-MRVPVSSYSA-N -1 3 310.184 1.487 20 5 DDBDHM CCN1CCC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231077237 885189664 /nfs/dbraw/zinc/18/96/64/885189664.db2.gz SNNGZMNXNVKKDD-SSDOTTSWSA-N -1 3 302.718 1.607 20 5 DDBDHM CC(C)(NC(=O)c1cc(=O)[n-]cn1)c1ccc([N+](=O)[O-])cc1 ZINC001294474758 915162546 /nfs/dbraw/zinc/16/25/46/915162546.db2.gz KWXHBCYOKRYOLL-UHFFFAOYSA-N -1 3 302.290 1.756 20 5 DDBDHM COC(=O)c1cc(C(=O)Nc2ncccc2[O-])cc([N+](=O)[O-])c1 ZINC000022263467 352176935 /nfs/dbraw/zinc/17/69/35/352176935.db2.gz YAMFJFQEKKAIMU-UHFFFAOYSA-N -1 3 317.257 1.734 20 5 DDBDHM CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000028812910 352232728 /nfs/dbraw/zinc/23/27/28/352232728.db2.gz AHDNZOIUFHGKIJ-UHFFFAOYSA-N -1 3 316.273 1.494 20 5 DDBDHM C[C@@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])s2)NC(=O)[N-]C1=O ZINC000588073574 354899161 /nfs/dbraw/zinc/89/91/61/354899161.db2.gz WOBDWOQTOBVLBB-SDBXPKJASA-N -1 3 324.362 1.613 20 5 DDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(CN2CCSCC2)nn1 ZINC000594652767 356275596 /nfs/dbraw/zinc/27/55/96/356275596.db2.gz ODALMUIUOVSJCE-UHFFFAOYSA-N -1 3 321.362 1.430 20 5 DDBDHM C[C@@]12COC[C@H]1CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000594734068 356300885 /nfs/dbraw/zinc/30/08/85/356300885.db2.gz NRNBRGGLTVAJOK-IUODEOHRSA-N -1 3 306.318 1.761 20 5 DDBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000594851961 356337347 /nfs/dbraw/zinc/33/73/47/356337347.db2.gz NRCRLBWIWVJQPS-QWRGUYRKSA-N -1 3 314.363 1.831 20 5 DDBDHM CCOC(=O)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596076485 356764360 /nfs/dbraw/zinc/76/43/60/356764360.db2.gz SQHUIOHERIZWFG-UHFFFAOYSA-N -1 3 309.322 1.865 20 5 DDBDHM CC(C)NC(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596537685 356910173 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O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1[O-] ZINC000340329473 251010212 /nfs/dbraw/zinc/01/02/12/251010212.db2.gz GQRLEWDEXSLNOS-UHFFFAOYSA-N -1 3 323.692 1.754 20 5 DDBDHM Cc1nccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000340520303 251096543 /nfs/dbraw/zinc/09/65/43/251096543.db2.gz YUZRHHPUDLYXDK-UHFFFAOYSA-N -1 3 308.319 1.172 20 5 DDBDHM Cc1cc(=O)n(Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000413003234 224117796 /nfs/dbraw/zinc/11/77/96/224117796.db2.gz WCIVWARIIKXCIC-UHFFFAOYSA-N -1 3 302.290 1.486 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000122666394 407308111 /nfs/dbraw/zinc/30/81/11/407308111.db2.gz PTXAXQWNHJGAAK-QMMMGPOBSA-N -1 3 306.365 1.422 20 5 DDBDHM CCN(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101574871 407312053 /nfs/dbraw/zinc/31/20/53/407312053.db2.gz RWHZNOPNJMACIK-UHFFFAOYSA-N -1 3 321.786 1.478 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000124241776 407352245 /nfs/dbraw/zinc/35/22/45/407352245.db2.gz SYUFGNDSCAXOPN-PSASIEDQSA-N -1 3 320.392 1.547 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000125326716 407385513 /nfs/dbraw/zinc/38/55/13/407385513.db2.gz SPAHJVAYXCASLM-LLVKDONJSA-N -1 3 320.392 1.812 20 5 DDBDHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000237132857 407797456 /nfs/dbraw/zinc/79/74/56/407797456.db2.gz VFPRIHQPGSLUQH-VMPITWQZSA-N -1 3 321.333 1.083 20 5 DDBDHM C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000272506523 407953915 /nfs/dbraw/zinc/95/39/15/407953915.db2.gz JHLUUSGATXIKIQ-JQWIXIFHSA-N -1 3 307.350 1.855 20 5 DDBDHM COCc1nsc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000273084754 408049799 /nfs/dbraw/zinc/04/97/99/408049799.db2.gz LTNRZRQRRGBWEM-UHFFFAOYSA-N -1 3 324.318 1.854 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000119103158 407997042 /nfs/dbraw/zinc/99/70/42/407997042.db2.gz WZIVZAUIPZXZMF-GFCCVEGCSA-N -1 3 316.379 1.589 20 5 DDBDHM COc1cc(CNCCOCC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000190902067 408340131 /nfs/dbraw/zinc/34/01/31/408340131.db2.gz PLQYDEVITRBODH-UHFFFAOYSA-N -1 3 306.265 1.680 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000171541686 162223779 /nfs/dbraw/zinc/22/37/79/162223779.db2.gz ZKLIQIACBXCEMC-VIFPVBQESA-N -1 3 320.754 1.706 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000274739892 408516799 /nfs/dbraw/zinc/51/67/99/408516799.db2.gz NDOKFBRNVNHLRY-UHFFFAOYSA-N -1 3 318.351 1.043 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000162778630 408734036 /nfs/dbraw/zinc/73/40/36/408734036.db2.gz ORWXMBVYCIVGCL-CMPLNLGQSA-N -1 3 314.363 1.343 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCC1 ZINC000167400359 408817165 /nfs/dbraw/zinc/81/71/65/408817165.db2.gz MKJCPCLRPISVBY-UHFFFAOYSA-N -1 3 300.336 1.824 20 5 DDBDHM O=C(COc1ccccc1[N+](=O)[O-])[N-]c1nncn1C1CC1 ZINC000285801798 408867216 /nfs/dbraw/zinc/86/72/16/408867216.db2.gz MVIGXGWJWUFKLW-UHFFFAOYSA-N -1 3 303.278 1.539 20 5 DDBDHM O=C(Nc1nnc(C(F)F)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187018406 163002653 /nfs/dbraw/zinc/00/26/53/163002653.db2.gz IXAZNVXOJOOAFE-UHFFFAOYSA-N -1 3 317.233 1.737 20 5 DDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2nc[n-]c(=O)c2C1 ZINC000286082537 408920461 /nfs/dbraw/zinc/92/04/61/408920461.db2.gz DBXBBJYKZPDXSV-UHFFFAOYSA-N -1 3 314.301 1.856 20 5 DDBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000289001261 409204938 /nfs/dbraw/zinc/20/49/38/409204938.db2.gz TZZAHAQQFZGGHQ-GFCCVEGCSA-N -1 3 324.362 1.994 20 5 DDBDHM O=C(Cc1cccnc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000348847528 409550778 /nfs/dbraw/zinc/55/07/78/409550778.db2.gz GQYGBQRTEDWSHE-UHFFFAOYSA-N -1 3 323.312 2.561 20 5 DDBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342511397 409686160 /nfs/dbraw/zinc/68/61/60/409686160.db2.gz WRXMCKWKYWCGMZ-LURJTMIESA-N -1 3 322.364 1.052 20 5 DDBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416507378 224960308 /nfs/dbraw/zinc/96/03/08/224960308.db2.gz KBYCWIMSXWTQDD-UHFFFAOYSA-N -1 3 319.358 1.352 20 5 DDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H](CO)CC(F)F)c1 ZINC000428371484 419857173 /nfs/dbraw/zinc/85/71/73/419857173.db2.gz FVSBFAKRHQKKFP-VIFPVBQESA-N -1 3 324.305 1.030 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000432328015 229095083 /nfs/dbraw/zinc/09/50/83/229095083.db2.gz JDPSFAUFCACMAQ-CBAPKCEASA-N -1 3 320.392 1.668 20 5 DDBDHM CCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436706524 420358538 /nfs/dbraw/zinc/35/85/38/420358538.db2.gz RIRUHUYSLQMEDI-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)CO)c(C)cc1[N+](=O)[O-] ZINC000416465655 420382967 /nfs/dbraw/zinc/38/29/67/420382967.db2.gz MPCBQYNELMRZIL-UHFFFAOYSA-N -1 3 324.305 1.118 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccn(C)n1 ZINC000416559711 420417347 /nfs/dbraw/zinc/41/73/47/420417347.db2.gz LGBBADDNMLRVNX-ZETCQYMHSA-N -1 3 316.364 1.429 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449430585 421011676 /nfs/dbraw/zinc/01/16/76/421011676.db2.gz BZKNDTNBZYKUSW-SGIREYDYSA-N -1 3 322.361 1.662 20 5 DDBDHM CNc1nc(C(=O)[N-]c2ncn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000456004477 421086719 /nfs/dbraw/zinc/08/67/19/421086719.db2.gz JXLKKURPBUYDPK-UHFFFAOYSA-N -1 3 319.325 1.630 20 5 DDBDHM COC(=O)c1sc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])nc1C ZINC000554836025 421662705 /nfs/dbraw/zinc/66/27/05/421662705.db2.gz WMGPEUHRTHOOSC-UHFFFAOYSA-N -1 3 311.279 1.122 20 5 DDBDHM O=C([N-]c1nncn1-c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000537312948 421727938 /nfs/dbraw/zinc/72/79/38/421727938.db2.gz ZMSSRBUKUSSNME-UHFFFAOYSA-N -1 3 310.273 1.823 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000581984194 422082606 /nfs/dbraw/zinc/08/26/06/422082606.db2.gz UOUYBFIMVVNILA-SNVBAGLBSA-N -1 3 313.317 2.067 20 5 DDBDHM CC(=O)c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1[O-] ZINC000578394881 422561412 /nfs/dbraw/zinc/56/14/12/422561412.db2.gz HQARKBCDDVZOMM-UHFFFAOYSA-N -1 3 304.262 1.338 20 5 DDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000361876244 299954284 /nfs/dbraw/zinc/95/42/84/299954284.db2.gz DKIGLKZAKRSRED-UHFFFAOYSA-N -1 3 321.684 1.277 20 5 DDBDHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000248452204 300219492 /nfs/dbraw/zinc/21/94/92/300219492.db2.gz GHMCDFNLTWMIHI-GXFFZTMASA-N -1 3 307.350 1.713 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C)CCOC1 ZINC000158466686 302048995 /nfs/dbraw/zinc/04/89/95/302048995.db2.gz YUFHYOQQJMEWCW-LBPRGKRZSA-N -1 3 300.336 1.361 20 5 DDBDHM CN(C)CCn1nnnc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412990543 302376823 /nfs/dbraw/zinc/37/68/23/302376823.db2.gz IJTAIHOGULJRHT-UHFFFAOYSA-N -1 3 324.366 1.141 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@H](C)O ZINC000395666197 307296368 /nfs/dbraw/zinc/29/63/68/307296368.db2.gz WMZZEWKQHHKUMN-UWVGGRQHSA-N -1 3 302.352 1.341 20 5 DDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000820462324 599042854 /nfs/dbraw/zinc/04/28/54/599042854.db2.gz XRLRZHKQVBDRHJ-DTWKUNHWSA-N -1 3 304.310 1.612 20 5 DDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820462324 599042857 /nfs/dbraw/zinc/04/28/57/599042857.db2.gz XRLRZHKQVBDRHJ-DTWKUNHWSA-N -1 3 304.310 1.612 20 5 DDBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC000736216465 598817250 /nfs/dbraw/zinc/81/72/50/598817250.db2.gz JBQUQRKLXCALHF-ZDUSSCGKSA-N -1 3 304.310 1.613 20 5 DDBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC000736216465 598817251 /nfs/dbraw/zinc/81/72/51/598817251.db2.gz JBQUQRKLXCALHF-ZDUSSCGKSA-N -1 3 304.310 1.613 20 5 DDBDHM CC(C)[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735708714 599321801 /nfs/dbraw/zinc/32/18/01/599321801.db2.gz OAZVTDYCLMOLSF-SNVBAGLBSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735708714 599321803 /nfs/dbraw/zinc/32/18/03/599321803.db2.gz OAZVTDYCLMOLSF-SNVBAGLBSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735709823 599322344 /nfs/dbraw/zinc/32/23/44/599322344.db2.gz SGNOMCBSSLMNIO-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735709823 599322345 /nfs/dbraw/zinc/32/23/45/599322345.db2.gz SGNOMCBSSLMNIO-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM O=[N+]([O-])c1cc(N[C@@H]2CCCC[C@@H]2O)ccc1-c1nnn[n-]1 ZINC000823635455 606646022 /nfs/dbraw/zinc/64/60/22/606646022.db2.gz WVMODWORQKVRQK-PWSUYJOCSA-N -1 3 304.310 1.490 20 5 DDBDHM C[C@@]1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCOC1 ZINC000824838924 608244791 /nfs/dbraw/zinc/24/47/91/608244791.db2.gz XACYMIYZSXSSIK-CYBMUJFWSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@@]1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCOC1 ZINC000824838924 608244792 /nfs/dbraw/zinc/24/47/92/608244792.db2.gz XACYMIYZSXSSIK-CYBMUJFWSA-N -1 3 304.310 1.756 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000125551023 696754096 /nfs/dbraw/zinc/75/40/96/696754096.db2.gz KQIFCWFZPNAPEN-UHFFFAOYSA-N -1 3 322.346 1.912 20 5 DDBDHM Cc1cc(=O)[n-]c(Cn2cc(Br)c([N+](=O)[O-])n2)n1 ZINC000700517344 699221549 /nfs/dbraw/zinc/22/15/49/699221549.db2.gz VOFIHJVRFSTGBE-UHFFFAOYSA-N -1 3 314.099 1.406 20 5 DDBDHM O=C([N-][C@@H](CO)CCF)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848593435 703567169 /nfs/dbraw/zinc/56/71/69/703567169.db2.gz HYQSMXDUSUWPDD-MRVPVSSYSA-N -1 3 322.239 1.403 20 5 DDBDHM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000867678692 707071116 /nfs/dbraw/zinc/07/11/16/707071116.db2.gz YHJICGHSVUEIQP-XWEPSHTISA-N -1 3 320.367 1.906 20 5 DDBDHM O=C(NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001089883903 748676773 /nfs/dbraw/zinc/67/67/73/748676773.db2.gz LNFLHRDSNUGPPF-UHFFFAOYSA-N -1 3 320.349 1.804 20 5 DDBDHM O=C(CC1CCC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107107141 749067963 /nfs/dbraw/zinc/06/79/63/749067963.db2.gz FLKKHNKRBGNGAA-OWOJBTEDSA-N -1 3 320.349 1.970 20 5 DDBDHM CCCC(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095336656 749562851 /nfs/dbraw/zinc/56/28/51/749562851.db2.gz KKKBEWWJAWMUFB-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM CCC(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001056499408 761200353 /nfs/dbraw/zinc/20/03/53/761200353.db2.gz IZKNXUHSYSLAFS-UHFFFAOYSA-N -1 3 320.349 1.945 20 5 DDBDHM CC(C)C(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001058028865 766182279 /nfs/dbraw/zinc/18/22/79/766182279.db2.gz CRVPLQGJUDVZFK-UHFFFAOYSA-N -1 3 322.365 1.779 20 5 DDBDHM CC(C)OCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097160667 771649382 /nfs/dbraw/zinc/64/93/82/771649382.db2.gz NWLRTGYZOGXIDV-AOOOYVTPSA-N -1 3 324.337 1.180 20 5 DDBDHM Cc1ccn(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093575390 774849837 /nfs/dbraw/zinc/84/98/37/774849837.db2.gz GVUPXQWWCINFHY-UHFFFAOYSA-N -1 3 319.321 1.184 20 5 DDBDHM Cc1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])on1 ZINC001094303046 775654923 /nfs/dbraw/zinc/65/49/23/775654923.db2.gz OXGMXWRGPMRXMT-UHFFFAOYSA-N -1 3 321.293 1.224 20 5 DDBDHM CCCC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101278141 777027028 /nfs/dbraw/zinc/02/70/28/777027028.db2.gz SNXPEMGVZDGITP-UHFFFAOYSA-N -1 3 308.338 1.581 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccs1 ZINC001101491614 777174055 /nfs/dbraw/zinc/17/40/55/777174055.db2.gz MJZBEHKOIJCEQG-UHFFFAOYSA-N -1 3 322.346 1.941 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001156285994 862907999 /nfs/dbraw/zinc/90/79/99/862907999.db2.gz UCKANMZHNOCKHE-VIFPVBQESA-N -1 3 314.305 1.462 20 5 DDBDHM CCOC(=O)[C@@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CO1 ZINC001225668160 881965688 /nfs/dbraw/zinc/96/56/88/881965688.db2.gz YYQSXZOFCVXSGH-WPRPVWTQSA-N -1 3 312.278 1.185 20 5 DDBDHM C[C@H](Nc1nn(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001164225472 869037186 /nfs/dbraw/zinc/03/71/86/869037186.db2.gz HLAORLDFVGDFAP-BYPYZUCNSA-N -1 3 305.220 1.638 20 5 DDBDHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001226237198 882298575 /nfs/dbraw/zinc/29/85/75/882298575.db2.gz HMJNESLKLDXIPI-ZETCQYMHSA-N -1 3 321.293 1.265 20 5 DDBDHM Cc1nnc(=O)[n-]c1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226460907 882442591 /nfs/dbraw/zinc/44/25/91/882442591.db2.gz HJLMLCQVUYMTIJ-SSDOTTSWSA-N -1 3 320.261 1.663 20 5 DDBDHM O=C(NCc1cc(=O)c([O-])co1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001304515458 871216343 /nfs/dbraw/zinc/21/63/43/871216343.db2.gz OARCFQBEGCTMTF-UHFFFAOYSA-N -1 3 324.676 1.837 20 5 DDBDHM Cc1nn(Cc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC001307351816 871424121 /nfs/dbraw/zinc/42/41/21/871424121.db2.gz FJIQORGRIDIVPA-UHFFFAOYSA-N -1 3 301.262 1.904 20 5 DDBDHM COCCN1CCC(Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])CC1 ZINC001231262280 885447301 /nfs/dbraw/zinc/44/73/01/885447301.db2.gz DYFVRBHJUJGATK-UHFFFAOYSA-N -1 3 311.338 1.493 20 5 DDBDHM COc1cc([C@@H]2NC(=O)[C@H]3C[C@@H](C)CCN32)c([N+](=O)[O-])cc1[O-] ZINC000249485328 282159509 /nfs/dbraw/zinc/15/95/09/282159509.db2.gz WVJBIDHSKUORSC-OLXJLDBKSA-N -1 3 321.333 1.538 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000342048570 282532096 /nfs/dbraw/zinc/53/20/96/282532096.db2.gz ZYXJBFOLJKVFAA-UHFFFAOYSA-N -1 3 314.363 1.608 20 5 DDBDHM Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000172364948 198086538 /nfs/dbraw/zinc/08/65/38/198086538.db2.gz ZXLZULDMKFCKTQ-VIFPVBQESA-N -1 3 301.324 1.098 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000172465502 198100926 /nfs/dbraw/zinc/10/09/26/198100926.db2.gz MMHVQPDVUQTMPV-SNVBAGLBSA-N -1 3 312.347 1.990 20 5 DDBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000147098577 354163663 /nfs/dbraw/zinc/16/36/63/354163663.db2.gz UJIVRBYMHYTZDP-QMMMGPOBSA-N -1 3 322.770 1.952 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H](O)C(C)C ZINC000593606221 355939989 /nfs/dbraw/zinc/93/99/89/355939989.db2.gz CIZPNODWLCULDQ-CMPLNLGQSA-N -1 3 317.367 1.064 20 5 DDBDHM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593526116 355914418 /nfs/dbraw/zinc/91/44/18/355914418.db2.gz HHHZIRFRHSCVAX-LURJTMIESA-N -1 3 322.364 1.195 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)nc1 ZINC000593609124 355940668 /nfs/dbraw/zinc/94/06/68/355940668.db2.gz VJYMIQRYRJMRGH-UHFFFAOYSA-N -1 3 311.363 1.991 20 5 DDBDHM O=c1[n-]ccc(N2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596222141 356820896 /nfs/dbraw/zinc/82/08/96/356820896.db2.gz QCQVPCXXENKWHA-GFCCVEGCSA-N -1 3 322.365 1.244 20 5 DDBDHM O=c1[n-]ccc(N2CC(CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596273691 356840961 /nfs/dbraw/zinc/84/09/61/356840961.db2.gz IVBOWUDBBMAONM-UHFFFAOYSA-N -1 3 301.302 1.446 20 5 DDBDHM Cc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000596658128 356944528 /nfs/dbraw/zinc/94/45/28/356944528.db2.gz YDNZEBLOHRXFNR-IUODEOHRSA-N -1 3 306.318 1.436 20 5 DDBDHM C[C@@H](CN1CCC(C)CC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598265941 357514600 /nfs/dbraw/zinc/51/46/00/357514600.db2.gz WKTLMFLFUFSDHN-NSHDSACASA-N -1 3 322.365 1.546 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CC2CC(C)C2)c([N+](=O)[O-])c1 ZINC000598624286 357659246 /nfs/dbraw/zinc/65/92/46/357659246.db2.gz ZMRYVTKJKIDAPD-UHFFFAOYSA-N -1 3 314.363 1.928 20 5 DDBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1c([N+](=O)[O-])ncn1C ZINC000599094034 357813615 /nfs/dbraw/zinc/81/36/15/357813615.db2.gz YLAZFMQRUPCFBA-UHFFFAOYSA-N -1 3 321.337 1.256 20 5 DDBDHM CC(C)(C(=O)[O-])N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600673365 358278874 /nfs/dbraw/zinc/27/88/74/358278874.db2.gz DEHUOCVBXZVOGX-UHFFFAOYSA-N -1 3 321.377 1.618 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000188322501 200227815 /nfs/dbraw/zinc/22/78/15/200227815.db2.gz NNUCSUXKNDOGRR-ZJUUUORDSA-N -1 3 300.336 1.034 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cocn2)cc1C ZINC000609353525 360300933 /nfs/dbraw/zinc/30/09/33/360300933.db2.gz UGMNCKYDFYJKJS-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccno1 ZINC000351926434 284643746 /nfs/dbraw/zinc/64/37/46/284643746.db2.gz OHKPVJLJEUXVSV-UHFFFAOYSA-N -1 3 313.291 1.070 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(=O)OC)cn2)n1 ZINC000338510918 250005559 /nfs/dbraw/zinc/00/55/59/250005559.db2.gz IXGKOOIEFTZXNB-UHFFFAOYSA-N -1 3 319.277 1.245 20 5 DDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1 ZINC000286010352 218744834 /nfs/dbraw/zinc/74/48/34/218744834.db2.gz NKOBWFVJFJZELL-UHFFFAOYSA-N -1 3 322.350 1.753 20 5 DDBDHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])COC1 ZINC000112708616 194509719 /nfs/dbraw/zinc/50/97/19/194509719.db2.gz FZTOLDVQEHYMMS-UHFFFAOYSA-N -1 3 320.754 1.563 20 5 DDBDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000451982444 533215062 /nfs/dbraw/zinc/21/50/62/533215062.db2.gz FQWRYSDFKFOLBW-TVQRCGJNSA-N -1 3 314.363 1.687 20 5 DDBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000289618324 221106822 /nfs/dbraw/zinc/10/68/22/221106822.db2.gz RHBRWEIUAINWDW-HTQZYQBOSA-N -1 3 322.770 1.950 20 5 DDBDHM COCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000025335378 406896639 /nfs/dbraw/zinc/89/66/39/406896639.db2.gz PXIUBZWYUXVATK-UHFFFAOYSA-N -1 3 303.274 1.682 20 5 DDBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1[O-] ZINC000045621883 407046642 /nfs/dbraw/zinc/04/66/42/407046642.db2.gz SDBIUNKVDWTGQV-UHFFFAOYSA-N -1 3 315.285 1.669 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000048673585 407105363 /nfs/dbraw/zinc/10/53/63/407105363.db2.gz RKJKIKOTSYSHGM-SNVBAGLBSA-N -1 3 300.336 1.300 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@@H](C)O ZINC000228073713 407641674 /nfs/dbraw/zinc/64/16/74/407641674.db2.gz PAZVXVJTHHPVLP-SNVBAGLBSA-N -1 3 302.352 1.343 20 5 DDBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000130233503 407666701 /nfs/dbraw/zinc/66/67/01/407666701.db2.gz PBQJAGDYYFXAAW-MNOVXSKESA-N -1 3 300.336 1.033 20 5 DDBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1=CCN(C)CC1 ZINC000273033215 408027633 /nfs/dbraw/zinc/02/76/33/408027633.db2.gz VEVGNNDGSDMLMS-SNVBAGLBSA-N -1 3 305.334 1.681 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000189952899 408138440 /nfs/dbraw/zinc/13/84/40/408138440.db2.gz XRHXRJNHDDJOKR-NSHDSACASA-N -1 3 314.363 1.669 20 5 DDBDHM CC(C)N1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269369552 408285831 /nfs/dbraw/zinc/28/58/31/408285831.db2.gz LXSFFICMXFRGMM-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(C(N)=O)cs2)c1[N+](=O)[O-] ZINC000269444711 408313138 /nfs/dbraw/zinc/31/31/38/408313138.db2.gz FIZIXJPLARAQLC-UHFFFAOYSA-N -1 3 324.322 1.249 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOCC(F)F ZINC000190958190 408347610 /nfs/dbraw/zinc/34/76/10/408347610.db2.gz BILLZWDFFSCESL-UHFFFAOYSA-N -1 3 310.278 1.155 20 5 DDBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C)n2)cc1OC ZINC000264174733 408389531 /nfs/dbraw/zinc/38/95/31/408389531.db2.gz KNVJMRYHOXWTGB-UHFFFAOYSA-N -1 3 321.293 1.681 20 5 DDBDHM COc1cc(C(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)on1 ZINC000184893446 408710162 /nfs/dbraw/zinc/71/01/62/408710162.db2.gz DGEAIWVJUHIKAI-UHFFFAOYSA-N -1 3 303.234 1.720 20 5 DDBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280925361 408860094 /nfs/dbraw/zinc/86/00/94/408860094.db2.gz JXOROYGUVSMSIP-PWSUYJOCSA-N -1 3 307.350 1.713 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000277717942 408998307 /nfs/dbraw/zinc/99/83/07/408998307.db2.gz MSDALIBFVRNMAR-GFCCVEGCSA-N -1 3 320.349 1.396 20 5 DDBDHM COC(=O)c1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)[n-]1 ZINC000293185985 409065035 /nfs/dbraw/zinc/06/50/35/409065035.db2.gz ZPBKULVZSXTZHN-UHFFFAOYSA-N -1 3 308.294 1.839 20 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/nfs/dbraw/zinc/00/40/48/411004048.db2.gz CMJLONCHGQAEDD-MRVPVSSYSA-N -1 3 324.305 1.116 20 5 DDBDHM CCOC(=O)c1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000344311888 411086088 /nfs/dbraw/zinc/08/60/88/411086088.db2.gz AXXBYYWHGVVDJE-UHFFFAOYSA-N -1 3 311.279 1.203 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1CSc1n[n-]c(-c2ccccn2)n1 ZINC000356601641 411102976 /nfs/dbraw/zinc/10/29/76/411102976.db2.gz ZJWMMXJJYFXWQK-UHFFFAOYSA-N -1 3 317.334 1.801 20 5 DDBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c2cccnc21)c1nnn[n-]1 ZINC000132895833 196294499 /nfs/dbraw/zinc/29/44/99/196294499.db2.gz GURVLDUSKOAJGE-SECBINFHSA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c2cccnc21)c1nn[n-]n1 ZINC000132895833 196294502 /nfs/dbraw/zinc/29/45/02/196294502.db2.gz GURVLDUSKOAJGE-SECBINFHSA-N -1 3 313.321 1.896 20 5 DDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](CO)CC(F)F)cc1 ZINC000428392580 419860150 /nfs/dbraw/zinc/86/01/50/419860150.db2.gz JUNBTHVZKWBFPW-VIFPVBQESA-N -1 3 324.305 1.030 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC)c2[O-])n1 ZINC000436818130 420369275 /nfs/dbraw/zinc/36/92/75/420369275.db2.gz UOMFNWSKSZXIKN-UHFFFAOYSA-N -1 3 306.278 1.778 20 5 DDBDHM Cc1nn(C)cc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000416454495 420377320 /nfs/dbraw/zinc/37/73/20/420377320.db2.gz IDPFZELXMHMTOC-UHFFFAOYSA-N -1 3 324.362 1.424 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC2)cc1C ZINC000443723089 230025791 /nfs/dbraw/zinc/02/57/91/230025791.db2.gz WZIHUHRFFUVMIO-UHFFFAOYSA-N -1 3 313.379 1.196 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnn2)c(F)c1 ZINC000443942884 230038864 /nfs/dbraw/zinc/03/88/64/230038864.db2.gz YKTFTMOAFQAHEQ-UHFFFAOYSA-N -1 3 312.282 1.002 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)O1 ZINC000416532284 420409010 /nfs/dbraw/zinc/40/90/10/420409010.db2.gz IIXVZGRTMBKWOO-QWRGUYRKSA-N -1 3 314.363 1.749 20 5 DDBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416563121 420419110 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DDBDHM CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1 ZINC000194583449 263517647 /nfs/dbraw/zinc/51/76/47/263517647.db2.gz VBKXZHCLJPVPKT-UHFFFAOYSA-N -1 3 303.278 1.409 20 5 DDBDHM C[C@H](O)CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000330604174 278295361 /nfs/dbraw/zinc/29/53/61/278295361.db2.gz GSGDXPJNLFGFPD-NEPJUHHUSA-N -1 3 309.366 1.187 20 5 DDBDHM Cc1conc1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000123903199 281180035 /nfs/dbraw/zinc/18/00/35/281180035.db2.gz WCOGMSBYZFMFHP-UHFFFAOYSA-N -1 3 314.261 1.724 20 5 DDBDHM C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000288498838 297262475 /nfs/dbraw/zinc/26/24/75/297262475.db2.gz SAMWKPRHTJWXOI-VXGBXAGGSA-N -1 3 319.361 1.999 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366454212 300698659 /nfs/dbraw/zinc/69/86/59/300698659.db2.gz PFHWUQXDEYJZJY-OAHLLOKOSA-N -1 3 323.349 1.484 20 5 DDBDHM Cc1sc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000532865832 303299458 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O=C([N-]c1ccon1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001276847121 880730984 /nfs/dbraw/zinc/73/09/84/880730984.db2.gz TWHSGBVENIGWOR-UHFFFAOYSA-N -1 3 305.246 1.996 20 5 DDBDHM COc1cc(CNCCN2CCCC2=O)c([N+](=O)[O-])cc1[O-] ZINC000579251042 422736129 /nfs/dbraw/zinc/73/61/29/422736129.db2.gz VQYVTPAOYQZQEZ-UHFFFAOYSA-N -1 3 309.322 1.021 20 5 DDBDHM CSCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616406521 362679714 /nfs/dbraw/zinc/67/97/14/362679714.db2.gz VLJIKBUXAXEKMS-UHFFFAOYSA-N -1 3 304.393 1.853 20 5 DDBDHM Cc1ccc(C(=O)NCc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000345138434 282932970 /nfs/dbraw/zinc/93/29/70/282932970.db2.gz XNWPSOOXSOEWLF-UHFFFAOYSA-N -1 3 302.290 1.637 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000120996616 354015767 /nfs/dbraw/zinc/01/57/67/354015767.db2.gz BZYKUELMFYCCDI-SNVBAGLBSA-N -1 3 302.352 1.343 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(O)CCC2)c1C ZINC000332476950 235013081 /nfs/dbraw/zinc/01/30/81/235013081.db2.gz OBFBCKFEMREMJV-UHFFFAOYSA-N -1 3 314.363 1.405 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C2(CO)CCC2)c(F)cc1[N+](=O)[O-] ZINC000590590931 355122250 /nfs/dbraw/zinc/12/22/50/355122250.db2.gz MTTWCMJVZACYNL-UHFFFAOYSA-N -1 3 318.326 1.236 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CO[C@@H](C)C1 ZINC000592106351 355501061 /nfs/dbraw/zinc/50/10/61/355501061.db2.gz DPNDIDOZNIDTNR-VHSXEESVSA-N -1 3 300.336 1.359 20 5 DDBDHM Cn1ccnc1[C@@H]1CNCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593727777 355977212 /nfs/dbraw/zinc/97/72/12/355977212.db2.gz RVALRBHSRMWEPF-AWEZNQCLSA-N -1 3 317.349 1.180 20 5 DDBDHM COC[C@]1(C(=O)[O-])CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593752022 355986378 /nfs/dbraw/zinc/98/63/78/355986378.db2.gz KBKCAABXFXKJEY-HNNXBMFYSA-N -1 3 308.334 1.908 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594800084 356321398 /nfs/dbraw/zinc/32/13/98/356321398.db2.gz CFEJCXFWJXJVGP-LLVKDONJSA-N -1 3 314.363 1.343 20 5 DDBDHM O=c1[n-]ccc(N2CCO[C@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000596166059 356798689 /nfs/dbraw/zinc/79/86/89/356798689.db2.gz PCOLCOTXGVFSKA-ZDUSSCGKSA-N -1 3 317.301 1.979 20 5 DDBDHM CN(CCCNC(=O)C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596207783 356814790 /nfs/dbraw/zinc/81/47/90/356814790.db2.gz FWHCEOKVRAODHL-UHFFFAOYSA-N -1 3 308.338 1.438 20 5 DDBDHM CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597858571 357361365 /nfs/dbraw/zinc/36/13/65/357361365.db2.gz NFTMIVXKCVIDDG-LLVKDONJSA-N -1 3 307.350 1.903 20 5 DDBDHM CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597860559 357362276 /nfs/dbraw/zinc/36/22/76/357362276.db2.gz OPOBVHOYMYGKAE-JTQLQIEISA-N -1 3 307.350 1.903 20 5 DDBDHM O=c1[n-]ccc(NC[C@@H]2CCCN2CC(F)F)c1[N+](=O)[O-] ZINC000599134194 357825541 /nfs/dbraw/zinc/82/55/41/357825541.db2.gz RZXOJLBOYCEUAH-QMMMGPOBSA-N -1 3 302.281 1.837 20 5 DDBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599411096 357925800 /nfs/dbraw/zinc/92/58/00/357925800.db2.gz VJMLEYMGBSJAME-NSHDSACASA-N -1 3 316.379 1.670 20 5 DDBDHM C[C@@H]1S[C@@H](C)C(=O)N(c2ccc([N+](=O)[O-])cc2F)[N-]C1=O ZINC000601939282 358745676 /nfs/dbraw/zinc/74/56/76/358745676.db2.gz MEXPBWLYLYIZGX-BQBZGAKWSA-N -1 3 313.310 1.622 20 5 DDBDHM COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000613980870 361647871 /nfs/dbraw/zinc/64/78/71/361647871.db2.gz KGJZIEVGDQBIMH-UHFFFAOYSA-N -1 3 323.349 1.141 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnc(C)c1 ZINC000619507010 364044246 /nfs/dbraw/zinc/04/42/46/364044246.db2.gz QUWYMZKKPAOAJY-UHFFFAOYSA-N -1 3 323.330 1.530 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000185903002 296283212 /nfs/dbraw/zinc/28/32/12/296283212.db2.gz WGCZOFZFILZYOJ-VIFPVBQESA-N -1 3 318.293 1.181 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2cc(F)ccc21 ZINC000187564655 284743486 /nfs/dbraw/zinc/74/34/86/284743486.db2.gz LOZVLGDJUCKYEP-UHFFFAOYSA-N -1 3 319.248 1.874 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](C)F ZINC000339034911 250260272 /nfs/dbraw/zinc/26/02/72/250260272.db2.gz SRWCFPBOCJHERW-QMMMGPOBSA-N -1 3 306.315 1.630 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000340828439 251231807 /nfs/dbraw/zinc/23/18/07/251231807.db2.gz QMQFUDYZVCAIFT-NXEZZACHSA-N -1 3 302.352 1.341 20 5 DDBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000352587003 285159131 /nfs/dbraw/zinc/15/91/31/285159131.db2.gz YEXHOTKGDJKALE-SECBINFHSA-N -1 3 322.770 1.952 20 5 DDBDHM O=C([O-])[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568066298 304266171 /nfs/dbraw/zinc/26/61/71/304266171.db2.gz WNXWIKRLCQWHBE-NEPJUHHUSA-N -1 3 324.333 1.131 20 5 DDBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000120779188 195236031 /nfs/dbraw/zinc/23/60/31/195236031.db2.gz HDPHLGUGHHLZTO-VHSXEESVSA-N -1 3 302.352 1.280 20 5 DDBDHM O=C(CCNc1ccccc1[N+](=O)[O-])[N-]O[C@@H]1CCCCO1 ZINC000072058823 406872595 /nfs/dbraw/zinc/87/25/95/406872595.db2.gz MQNDUCFHXFIKHI-CQSZACIVSA-N -1 3 309.322 1.971 20 5 DDBDHM Cc1nc(C)c(CCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000012459852 406845171 /nfs/dbraw/zinc/84/51/71/406845171.db2.gz HYIKSJGFSGCGGO-UHFFFAOYSA-N -1 3 316.317 1.866 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(F)c1 ZINC000048659745 407103736 /nfs/dbraw/zinc/10/37/36/407103736.db2.gz HMUUOPGLEDJQMA-VIFPVBQESA-N -1 3 304.299 1.191 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000087041149 407115830 /nfs/dbraw/zinc/11/58/30/407115830.db2.gz OQFROJJBAOMXQE-GFCCVEGCSA-N -1 3 318.351 1.043 20 5 DDBDHM CSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124169981 407350074 /nfs/dbraw/zinc/35/00/74/407350074.db2.gz KMPILKPZIYBMCR-UHFFFAOYSA-N -1 3 310.422 1.996 20 5 DDBDHM Cn1ncc2c1ncc(C(=O)Nc1cccc([N+](=O)[O-])c1)c2[O-] ZINC000181704126 408031242 /nfs/dbraw/zinc/03/12/42/408031242.db2.gz RYHHLBUKVCHPAH-UHFFFAOYSA-N -1 3 313.273 1.834 20 5 DDBDHM O=C([O-])CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181535440 408009038 /nfs/dbraw/zinc/00/90/38/408009038.db2.gz CYDZDTAEFPTYCY-UHFFFAOYSA-N -1 3 307.350 1.972 20 5 DDBDHM CCCCCN1CC(=O)N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000182316592 408124710 /nfs/dbraw/zinc/12/47/10/408124710.db2.gz PVTQFFPQVVDZAQ-HNNXBMFYSA-N -1 3 323.349 1.930 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c1[N+](=O)[O-] ZINC000190002007 408145501 /nfs/dbraw/zinc/14/55/01/408145501.db2.gz KQSFGJUIJIQQLL-LLVKDONJSA-N -1 3 316.379 1.507 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CC[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000263803366 408264978 /nfs/dbraw/zinc/26/49/78/408264978.db2.gz KNIFZLFPPMPWOQ-VIFPVBQESA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1ocnc1C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273462240 408211862 /nfs/dbraw/zinc/21/18/62/408211862.db2.gz BPTWRRXNBZHLOG-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(CO)CCCC1 ZINC000160349318 408473469 /nfs/dbraw/zinc/47/34/69/408473469.db2.gz CBZKPCIVMOEIIB-UHFFFAOYSA-N -1 3 314.363 1.426 20 5 DDBDHM Cc1cc(CS(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])no1 ZINC000265343837 408620764 /nfs/dbraw/zinc/62/07/64/408620764.db2.gz PHVGMYOKJUJCEN-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCSC ZINC000265501376 408676027 /nfs/dbraw/zinc/67/60/27/408676027.db2.gz MWERYTYDNJBUKE-UHFFFAOYSA-N -1 3 320.392 1.635 20 5 DDBDHM C[S@](=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187566715 163023424 /nfs/dbraw/zinc/02/34/24/163023424.db2.gz DSFCJBOHZAOHNU-QFIPXVFZSA-N -1 3 321.314 1.685 20 5 DDBDHM O=C([O-])[C@H](CN1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000277453810 408943898 /nfs/dbraw/zinc/94/38/98/408943898.db2.gz VCXBGEGQVWSHDZ-AWEZNQCLSA-N -1 3 307.350 1.624 20 5 DDBDHM CCCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OCC ZINC000281884301 408946800 /nfs/dbraw/zinc/94/68/00/408946800.db2.gz DILIYKPUFXFMRA-UHFFFAOYSA-N -1 3 317.367 1.992 20 5 DDBDHM CN1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)C1 ZINC000294240320 409263966 /nfs/dbraw/zinc/26/39/66/409263966.db2.gz RYLXIWRMDMWKIU-MRXNPFEDSA-N -1 3 319.361 1.858 20 5 DDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000298320162 410179791 /nfs/dbraw/zinc/17/97/91/410179791.db2.gz OBCHPGBGEVKEMO-UHFFFAOYSA-N -1 3 316.335 1.458 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000355321268 410441479 /nfs/dbraw/zinc/44/14/79/410441479.db2.gz HQMDTQUDISCTKC-MNOVXSKESA-N -1 3 314.363 1.607 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000352947829 410692572 /nfs/dbraw/zinc/69/25/72/410692572.db2.gz DFJSWKRIATUREV-SECBINFHSA-N -1 3 311.319 1.763 20 5 DDBDHM COc1cc(CNCCc2cc(C)no2)c([N+](=O)[O-])cc1[O-] ZINC000353093686 410779755 /nfs/dbraw/zinc/77/97/55/410779755.db2.gz IESCTIHWSZSCQI-UHFFFAOYSA-N -1 3 307.306 1.938 20 5 DDBDHM O=c1ccn(Cc2nc(-c3ccc([O-])cc3)no2)cc1[N+](=O)[O-] ZINC000350566226 306753067 /nfs/dbraw/zinc/75/30/67/306753067.db2.gz LZJNLIDURYCSFJ-UHFFFAOYSA-N -1 3 314.257 1.560 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416496861 420394295 /nfs/dbraw/zinc/39/42/95/420394295.db2.gz RAAAQMPMCPUICL-SECBINFHSA-N -1 3 319.408 1.195 20 5 DDBDHM CSCC[C@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000455768830 421060288 /nfs/dbraw/zinc/06/02/88/421060288.db2.gz KPBBZNLXUDXKCX-ZETCQYMHSA-N -1 3 319.770 1.973 20 5 DDBDHM C[C@@H](CN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnn[n-]1 ZINC000450442184 421198605 /nfs/dbraw/zinc/19/86/05/421198605.db2.gz RRYSNMRZKOYEMQ-ZETCQYMHSA-N -1 3 302.298 1.224 20 5 DDBDHM C[C@@H](CN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nn[n-]n1 ZINC000450442184 421198606 /nfs/dbraw/zinc/19/86/06/421198606.db2.gz RRYSNMRZKOYEMQ-ZETCQYMHSA-N -1 3 302.298 1.224 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000524387849 421258996 /nfs/dbraw/zinc/25/89/96/421258996.db2.gz FFPLMJOVYSCBNG-SECBINFHSA-N -1 3 324.724 1.490 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000564456574 421587319 /nfs/dbraw/zinc/58/73/19/421587319.db2.gz NHMNLAUAQKOCQH-KOLCDFICSA-N -1 3 306.322 1.137 20 5 DDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184552656 263388638 /nfs/dbraw/zinc/38/86/38/263388638.db2.gz ZWDUAEZAJHUGGY-GXFFZTMASA-N -1 3 316.379 1.421 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c(F)c1 ZINC000315978729 271014438 /nfs/dbraw/zinc/01/44/38/271014438.db2.gz GQXYLDIFAJJZNR-LLVKDONJSA-N -1 3 318.326 1.173 20 5 DDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[n-]c2ccncc2c1=O ZINC000341987354 271266392 /nfs/dbraw/zinc/26/63/92/271266392.db2.gz RNWZSAKNRPKCDF-UHFFFAOYSA-N -1 3 324.296 1.761 20 5 DDBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000342127713 271308178 /nfs/dbraw/zinc/30/81/78/271308178.db2.gz KBPPZFKZFMEDTK-NXEZZACHSA-N -1 3 302.352 1.605 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CN(C)C ZINC000416506076 281262023 /nfs/dbraw/zinc/26/20/23/281262023.db2.gz DUZKGNXIWYMABZ-UHFFFAOYSA-N -1 3 315.395 1.522 20 5 DDBDHM O=C(Nc1ccc2c(c1)OCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361862710 299951199 /nfs/dbraw/zinc/95/11/99/299951199.db2.gz PZLUBFQMWFKKJV-UHFFFAOYSA-N -1 3 303.230 1.676 20 5 DDBDHM O=c1ccc([N+](=O)[O-])cn1Cc1noc(-c2ccccc2[O-])n1 ZINC000363658085 300294231 /nfs/dbraw/zinc/29/42/31/300294231.db2.gz LDFWTNULTOGHLM-UHFFFAOYSA-N -1 3 314.257 1.560 20 5 DDBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1cncc([O-])c1 ZINC000514826663 307402911 /nfs/dbraw/zinc/40/29/11/307402911.db2.gz OYNHSIGJXFFRCN-UHFFFAOYSA-N -1 3 315.329 1.939 20 5 DDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568660981 308126625 /nfs/dbraw/zinc/12/66/25/308126625.db2.gz CCZOXHMLHCDPOB-UHFFFAOYSA-N -1 3 314.301 1.898 20 5 DDBDHM C[C@@H]1C[C@H](N2CCCC2)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576163540 308293503 /nfs/dbraw/zinc/29/35/03/308293503.db2.gz TWBNQVHWUSHKEY-MNOVXSKESA-N -1 3 320.349 1.751 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CCCO1 ZINC000156147103 524909830 /nfs/dbraw/zinc/90/98/30/524909830.db2.gz BZKHFBFBHGQKJX-ZDUSSCGKSA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491841734 528154113 /nfs/dbraw/zinc/15/41/13/528154113.db2.gz FJKWDAXVZRPNQE-SZZPACECSA-N -1 3 316.317 1.236 20 5 DDBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000494367163 528977795 /nfs/dbraw/zinc/97/77/95/528977795.db2.gz ISFQUPACGHMTAQ-ZETCQYMHSA-N -1 3 308.381 1.668 20 5 DDBDHM CS[C@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737172275 598853827 /nfs/dbraw/zinc/85/38/27/598853827.db2.gz SIDXQMAHRJWSEE-WRWORJQWSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737172275 598853829 /nfs/dbraw/zinc/85/38/29/598853829.db2.gz SIDXQMAHRJWSEE-WRWORJQWSA-N -1 3 324.366 1.299 20 5 DDBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)nc1 ZINC000823639633 599071605 /nfs/dbraw/zinc/07/16/05/599071605.db2.gz DYXSHCVHKKMKKB-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)nc1 ZINC000823639633 599071607 /nfs/dbraw/zinc/07/16/07/599071607.db2.gz DYXSHCVHKKMKKB-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM Cc1nc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)no1 ZINC000826326405 607841975 /nfs/dbraw/zinc/84/19/75/607841975.db2.gz OEBVRXIMYVQDDT-UHFFFAOYSA-N -1 3 302.254 1.078 20 5 DDBDHM COC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736974099 598817610 /nfs/dbraw/zinc/81/76/10/598817610.db2.gz WVLLOCOZHGZBQM-SECBINFHSA-N -1 3 319.325 1.033 20 5 DDBDHM COC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736974099 598817612 /nfs/dbraw/zinc/81/76/12/598817612.db2.gz WVLLOCOZHGZBQM-SECBINFHSA-N -1 3 319.325 1.033 20 5 DDBDHM CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C(=O)[O-] ZINC000737451604 600137770 /nfs/dbraw/zinc/13/77/70/600137770.db2.gz RBWJBJXGMHVZJX-UHFFFAOYSA-N -1 3 310.306 1.756 20 5 DDBDHM COCCN(CC(C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821688919 607468260 /nfs/dbraw/zinc/46/82/60/607468260.db2.gz CJPOBFXRVSVPIB-UHFFFAOYSA-N -1 3 320.353 1.884 20 5 DDBDHM COCCN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821688919 607468262 /nfs/dbraw/zinc/46/82/62/607468262.db2.gz CJPOBFXRVSVPIB-UHFFFAOYSA-N -1 3 320.353 1.884 20 5 DDBDHM C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(=O)[O-] ZINC000828457061 601500421 /nfs/dbraw/zinc/50/04/21/601500421.db2.gz QKIJASLPHZPOFA-NOZJJQNGSA-N -1 3 322.317 1.614 20 5 DDBDHM C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739186591 602786394 /nfs/dbraw/zinc/78/63/94/602786394.db2.gz SZFFRSAMMHVIRI-RYUDHWBXSA-N -1 3 323.349 1.952 20 5 DDBDHM C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739186815 602790408 /nfs/dbraw/zinc/79/04/08/602790408.db2.gz UFMXLVWJLKTPJB-RISCZKNCSA-N -1 3 323.349 1.952 20 5 DDBDHM C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739183670 602790654 /nfs/dbraw/zinc/79/06/54/602790654.db2.gz HKYXALOPLNDUIT-RISCZKNCSA-N -1 3 323.349 1.952 20 5 DDBDHM C[C@@H](O)C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824699283 607737984 /nfs/dbraw/zinc/73/79/84/607737984.db2.gz RAICGHUSZAICRV-MWLCHTKSSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@@H](O)C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824699283 607737985 /nfs/dbraw/zinc/73/79/85/607737985.db2.gz RAICGHUSZAICRV-MWLCHTKSSA-N -1 3 318.337 1.515 20 5 DDBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])o1 ZINC000823346316 606264262 /nfs/dbraw/zinc/26/42/62/606264262.db2.gz LJJIHLICZZTZGQ-UHFFFAOYSA-N -1 3 318.224 1.759 20 5 DDBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])o1 ZINC000823346316 606264264 /nfs/dbraw/zinc/26/42/64/606264264.db2.gz LJJIHLICZZTZGQ-UHFFFAOYSA-N -1 3 318.224 1.759 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826330133 607863231 /nfs/dbraw/zinc/86/32/31/607863231.db2.gz HAJWBSDZLMXCIR-UHFFFAOYSA-N -1 3 313.277 1.163 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826330133 607863232 /nfs/dbraw/zinc/86/32/32/607863232.db2.gz HAJWBSDZLMXCIR-UHFFFAOYSA-N -1 3 313.277 1.163 20 5 DDBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824224249 609320218 /nfs/dbraw/zinc/32/02/18/609320218.db2.gz OFUQVDIZJPJIQJ-ZDUSSCGKSA-N -1 3 318.337 1.636 20 5 DDBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824224249 609320220 /nfs/dbraw/zinc/32/02/20/609320220.db2.gz OFUQVDIZJPJIQJ-ZDUSSCGKSA-N -1 3 318.337 1.636 20 5 DDBDHM CC(C)OC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778265311 698255340 /nfs/dbraw/zinc/25/53/40/698255340.db2.gz WIRKXPBCJXMCKK-UHFFFAOYSA-N -1 3 316.260 1.754 20 5 DDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OCC(F)(F)F ZINC000766768567 701062497 /nfs/dbraw/zinc/06/24/97/701062497.db2.gz NEZXREOIMJOAAO-UHFFFAOYSA-N -1 3 308.212 1.974 20 5 DDBDHM Cc1cc(=O)[n-]c(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)n1 ZINC000813578687 702376105 /nfs/dbraw/zinc/37/61/05/702376105.db2.gz CJKIKOHAJXPVEE-UHFFFAOYSA-N -1 3 312.285 1.762 20 5 DDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000845859809 703209992 /nfs/dbraw/zinc/20/99/92/703209992.db2.gz YDJANOYDXSXAMM-SECBINFHSA-N -1 3 301.368 1.950 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCN2CCCCC2)n1 ZINC000910358085 709908304 /nfs/dbraw/zinc/90/83/04/709908304.db2.gz OZJMQUCYLYYSRP-UHFFFAOYSA-N -1 3 322.365 1.919 20 5 DDBDHM COc1c([O-])ccc(CN(C)CC(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000891531686 710228461 /nfs/dbraw/zinc/22/84/61/710228461.db2.gz PAKWHOMRRFYCDE-UHFFFAOYSA-N -1 3 323.349 1.363 20 5 DDBDHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000923274588 714293513 /nfs/dbraw/zinc/29/35/13/714293513.db2.gz MLOCIGIAGKQASP-NWDGAFQWSA-N -1 3 305.334 1.609 20 5 DDBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1=CCCC1 ZINC001059184541 740343828 /nfs/dbraw/zinc/34/38/28/740343828.db2.gz FOXIBEISGLDMPA-XYPYZODXSA-N -1 3 318.333 1.865 20 5 DDBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1(CF)CC1 ZINC001110350274 744063812 /nfs/dbraw/zinc/06/38/12/744063812.db2.gz UJKVGAUKBGLELD-UHFFFAOYSA-N -1 3 324.312 1.506 20 5 DDBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001107004266 748627607 /nfs/dbraw/zinc/62/76/07/748627607.db2.gz HIKAXZZYEMWQMH-UPHRSURJSA-N -1 3 306.322 1.580 20 5 DDBDHM CC1(CC(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107419798 749927899 /nfs/dbraw/zinc/92/78/99/749927899.db2.gz INPUOHWGWAELRG-IHWYPQMZSA-N -1 3 320.349 1.970 20 5 DDBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001118996581 756883261 /nfs/dbraw/zinc/88/32/61/756883261.db2.gz PPXXTKUESLGAML-DTWKUNHWSA-N -1 3 320.392 1.811 20 5 DDBDHM O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1[O-] ZINC001093481730 774729064 /nfs/dbraw/zinc/72/90/64/774729064.db2.gz BQMGDSCAPPAZHS-UHFFFAOYSA-N -1 3 318.289 1.243 20 5 DDBDHM Cc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001093523973 774775485 /nfs/dbraw/zinc/77/54/85/774775485.db2.gz QGWVZXLFEHMQKC-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM Cc1cncc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093543742 774817982 /nfs/dbraw/zinc/81/79/82/774817982.db2.gz MOLXQJIUPKWDTA-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM C=C/C(C)=C/CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094042460 775364830 /nfs/dbraw/zinc/36/48/30/775364830.db2.gz CNQQNJSZBXTNGR-ONNFQVAWSA-N -1 3 306.322 1.746 20 5 DDBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2nnn[n-]2)CC1 ZINC001153907645 864216311 /nfs/dbraw/zinc/21/63/11/864216311.db2.gz LLKFLZFLNRKYLX-UHFFFAOYSA-N -1 3 316.321 1.203 20 5 DDBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2nn[n-]n2)CC1 ZINC001153907645 864216315 /nfs/dbraw/zinc/21/63/15/864216315.db2.gz LLKFLZFLNRKYLX-UHFFFAOYSA-N -1 3 316.321 1.203 20 5 DDBDHM Cc1ncc(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)c(=O)[n-]1 ZINC001162303618 867427337 /nfs/dbraw/zinc/42/73/37/867427337.db2.gz VXYCZRTYFVRXHF-VIFPVBQESA-N -1 3 305.294 1.587 20 5 DDBDHM CO[C@H](C)CO[C@H](C)COc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694176 883135544 /nfs/dbraw/zinc/13/55/44/883135544.db2.gz DZIGFHPUPSMLOA-RKDXNWHRSA-N -1 3 310.310 1.685 20 5 DDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)n1 ZINC001231259346 885443231 /nfs/dbraw/zinc/44/32/31/885443231.db2.gz KHGQLNRDKIHVLE-MKPLZMMCSA-N -1 3 307.306 1.187 20 5 DDBDHM C[C@@H]1CCCN(c2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2C)C1 ZINC001263465476 900614119 /nfs/dbraw/zinc/61/41/19/900614119.db2.gz QYCRWMAVGRVXOT-SECBINFHSA-N -1 3 318.337 1.727 20 5 DDBDHM CN(C)CCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001295972238 916159795 /nfs/dbraw/zinc/15/97/95/916159795.db2.gz LGMRFQYXPFTCHE-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000452031515 231275480 /nfs/dbraw/zinc/27/54/80/231275480.db2.gz SPGZDFNSRPEPAJ-RKDXNWHRSA-N -1 3 320.392 1.404 20 5 DDBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000029388632 352238275 /nfs/dbraw/zinc/23/82/75/352238275.db2.gz JYAQPAVFXXAUQS-UHFFFAOYSA-N -1 3 301.184 1.984 20 5 DDBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000029388632 352238277 /nfs/dbraw/zinc/23/82/77/352238277.db2.gz JYAQPAVFXXAUQS-UHFFFAOYSA-N -1 3 301.184 1.984 20 5 DDBDHM CCc1nn(C)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093023115 353882646 /nfs/dbraw/zinc/88/26/46/353882646.db2.gz JHSVDVZMHQCWKE-UHFFFAOYSA-N -1 3 324.362 1.369 20 5 DDBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000140161180 354134180 /nfs/dbraw/zinc/13/41/80/354134180.db2.gz LJYZTQZBYZBVMS-VIFPVBQESA-N -1 3 318.351 1.164 20 5 DDBDHM Cc1sc2[n-]c(Cn3cc([N+](=O)[O-])cn3)nc(=O)c2c1C ZINC000077932071 191798547 /nfs/dbraw/zinc/79/85/47/191798547.db2.gz GPWMHBOPSWBTKH-UHFFFAOYSA-N -1 3 305.319 1.754 20 5 DDBDHM CN1CCC[C@]2(CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)C1 ZINC000592972749 355758837 /nfs/dbraw/zinc/75/88/37/355758837.db2.gz VYQIPFDBKHSNDE-HNNXBMFYSA-N -1 3 320.349 1.610 20 5 DDBDHM Cc1cc(-c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)cc([N+](=O)[O-])c1 ZINC000593303267 355849901 /nfs/dbraw/zinc/84/99/01/355849901.db2.gz ZGLFIHVGQJMGOD-SNVBAGLBSA-N -1 3 324.318 1.317 20 5 DDBDHM O=C([O-])[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000594734078 356300954 /nfs/dbraw/zinc/30/09/54/356300954.db2.gz NYBYKJBVAAETAM-BFHYXJOUSA-N -1 3 322.365 1.757 20 5 DDBDHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594849880 356336629 /nfs/dbraw/zinc/33/66/29/356336629.db2.gz AMKBMEYESDDMJC-SNVBAGLBSA-N -1 3 306.290 1.918 20 5 DDBDHM COCC(C)(C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601333901 358503210 /nfs/dbraw/zinc/50/32/10/358503210.db2.gz IFVRKSAEEADHNN-UHFFFAOYSA-N -1 3 320.342 1.746 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000595360719 356464563 /nfs/dbraw/zinc/46/45/63/356464563.db2.gz DGZKDZRVCDPGOQ-SSDOTTSWSA-N -1 3 306.365 1.156 20 5 DDBDHM O=c1[n-]ccc(N2CCC(Cn3cncn3)CC2)c1[N+](=O)[O-] ZINC000596201254 356812157 /nfs/dbraw/zinc/81/21/57/356812157.db2.gz UZPUYXCAMFQHCL-UHFFFAOYSA-N -1 3 304.310 1.204 20 5 DDBDHM COc1cc(CNCCN(C)CC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000599021872 357796513 /nfs/dbraw/zinc/79/65/13/357796513.db2.gz FADRQCFEBYXOKE-UHFFFAOYSA-N -1 3 319.308 1.596 20 5 DDBDHM Cn1cc([C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)cn1 ZINC000599109438 357818441 /nfs/dbraw/zinc/81/84/41/357818441.db2.gz WUWQNXCPTXFVCK-CMPLNLGQSA-N -1 3 319.321 1.761 20 5 DDBDHM Cn1cc([C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)cn1 ZINC000599109441 357818517 /nfs/dbraw/zinc/81/85/17/357818517.db2.gz WUWQNXCPTXFVCK-ZYHUDNBSSA-N -1 3 319.321 1.761 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)cc1C ZINC000599478442 357951346 /nfs/dbraw/zinc/95/13/46/357951346.db2.gz YXFUKKZEZIVMNS-PHIMTYICSA-N -1 3 314.363 1.261 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601453466 358560473 /nfs/dbraw/zinc/56/04/73/358560473.db2.gz UAHUNHYLAOFASE-SVRRBLITSA-N -1 3 306.365 1.420 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000601522558 358587252 /nfs/dbraw/zinc/58/72/52/358587252.db2.gz PAUGBDVHKPEBKH-RKDXNWHRSA-N -1 3 310.253 1.824 20 5 DDBDHM C[C@@H]1CCCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186939485 200034701 /nfs/dbraw/zinc/03/47/01/200034701.db2.gz HGYMJYAGONHQEE-SNVBAGLBSA-N -1 3 308.338 1.157 20 5 DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000358970012 299294334 /nfs/dbraw/zinc/29/43/34/299294334.db2.gz XDMAZWWAWLATEU-SECBINFHSA-N -1 3 318.351 1.164 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000609620288 360336039 /nfs/dbraw/zinc/33/60/39/360336039.db2.gz JLISNAWBCOXAOF-SSDOTTSWSA-N -1 3 308.323 1.228 20 5 DDBDHM O=C(NC1CCN(C2CC2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891185 360565642 /nfs/dbraw/zinc/56/56/42/360565642.db2.gz RWRYTJQYXHWALM-UHFFFAOYSA-N -1 3 305.334 1.657 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c(F)c1 ZINC000611110332 360625243 /nfs/dbraw/zinc/62/52/43/360625243.db2.gz WMMTZWJJAKXSML-SECBINFHSA-N -1 3 318.326 1.173 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000566070170 304113589 /nfs/dbraw/zinc/11/35/89/304113589.db2.gz CDNRISWLLZEWJA-LLVKDONJSA-N -1 3 320.349 1.671 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000275075119 212106975 /nfs/dbraw/zinc/10/69/75/212106975.db2.gz LQRKHDGHBILQJJ-UHFFFAOYSA-N -1 3 318.326 1.819 20 5 DDBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000338976376 250228923 /nfs/dbraw/zinc/22/89/23/250228923.db2.gz XBAGXIONWJHTSP-UHFFFAOYSA-N -1 3 309.366 1.189 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000339118015 250302167 /nfs/dbraw/zinc/30/21/67/250302167.db2.gz CUOZAHIQRIEGBT-VHSXEESVSA-N -1 3 318.326 1.772 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)C[C@@H](C)O ZINC000120809649 195241855 /nfs/dbraw/zinc/24/18/55/195241855.db2.gz HGUZVIQWOGPCFR-GXSJLCMTSA-N -1 3 316.379 1.589 20 5 DDBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000289618326 221106563 /nfs/dbraw/zinc/10/65/63/221106563.db2.gz RHBRWEIUAINWDW-SFYZADRCSA-N -1 3 322.770 1.950 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCCC1 ZINC000032402104 406948099 /nfs/dbraw/zinc/94/80/99/406948099.db2.gz VXCVINHRNMXRER-UHFFFAOYSA-N -1 3 300.336 1.824 20 5 DDBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000076301157 406961687 /nfs/dbraw/zinc/96/16/87/406961687.db2.gz PJAFMVATTBNOEA-SECBINFHSA-N -1 3 304.393 1.933 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000087040593 407116142 /nfs/dbraw/zinc/11/61/42/407116142.db2.gz LYPZYUDGLMQSQI-GFCCVEGCSA-N -1 3 318.351 1.043 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000052004137 407146307 /nfs/dbraw/zinc/14/63/07/407146307.db2.gz VIKSITOCCXBULG-QWRGUYRKSA-N -1 3 318.326 1.316 20 5 DDBDHM CCO[C@@H]1C[C@](N)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000261955761 407687503 /nfs/dbraw/zinc/68/75/03/407687503.db2.gz XCPYCIQUBBLVLN-DOMZBBRYSA-N -1 3 323.349 1.771 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(C)C)c1C ZINC000186585985 407710616 /nfs/dbraw/zinc/71/06/16/407710616.db2.gz CWUGMDFDILPJJY-UHFFFAOYSA-N -1 3 316.379 1.915 20 5 DDBDHM COc1ccc(C(=O)[N-]c2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000133003667 407812613 /nfs/dbraw/zinc/81/26/13/407812613.db2.gz WOAMTTQBVACICC-UHFFFAOYSA-N -1 3 313.273 1.898 20 5 DDBDHM CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181984561 408059270 /nfs/dbraw/zinc/05/92/70/408059270.db2.gz GCEMYVRZYZFWOE-UHFFFAOYSA-N -1 3 309.366 1.960 20 5 DDBDHM CS[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125709485 161883983 /nfs/dbraw/zinc/88/39/83/161883983.db2.gz KIDNNWJVZATLHG-ZCFIWIBFSA-N -1 3 310.422 1.995 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C ZINC000270618121 408605861 /nfs/dbraw/zinc/60/58/61/408605861.db2.gz JMAZAGRRVANARO-PSASIEDQSA-N -1 3 316.335 1.059 20 5 DDBDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185267094 408789500 /nfs/dbraw/zinc/78/95/00/408789500.db2.gz MHXBKVZSSVWVGR-PBKGFPTLSA-N -1 3 300.336 1.200 20 5 DDBDHM Cc1[nH]nc2ncc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc12 ZINC000188285561 163047254 /nfs/dbraw/zinc/04/72/54/163047254.db2.gz KILFMPXPWVGADN-UHFFFAOYSA-N -1 3 314.261 1.527 20 5 DDBDHM Cc1ccc(CN[C@H](CN2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000277380235 408929390 /nfs/dbraw/zinc/92/93/90/408929390.db2.gz QSRSYIVURIIMBJ-CQSZACIVSA-N -1 3 321.377 1.932 20 5 DDBDHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000228203190 163340331 /nfs/dbraw/zinc/34/03/31/163340331.db2.gz DWZCALZVLCNWQS-YUMQZZPRSA-N -1 3 322.770 1.686 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C[C@H](C)O ZINC000228203142 163340835 /nfs/dbraw/zinc/34/08/35/163340835.db2.gz QBPGEWAZHDJFOM-IUCAKERBSA-N -1 3 318.351 1.041 20 5 DDBDHM O=C(Nc1nc2c(s1)COCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277753981 409005391 /nfs/dbraw/zinc/00/53/91/409005391.db2.gz QKXIUPKMSYJTJW-UHFFFAOYSA-N -1 3 322.302 1.477 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)O ZINC000293691703 409162510 /nfs/dbraw/zinc/16/25/10/409162510.db2.gz BWFSYXHLNFNLHX-NSHDSACASA-N -1 3 316.379 1.731 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)CCCO ZINC000295306079 409425655 /nfs/dbraw/zinc/42/56/55/409425655.db2.gz OOLGRCIPTOWDFQ-SNVBAGLBSA-N -1 3 316.379 1.590 20 5 DDBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342512842 409690733 /nfs/dbraw/zinc/69/07/33/409690733.db2.gz YGDTZDJOPXQNPM-LLVKDONJSA-N -1 3 322.408 1.794 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCCOC2)c([N+](=O)[O-])c1 ZINC000357418801 410026605 /nfs/dbraw/zinc/02/66/05/410026605.db2.gz HMSYJTLVFKOFPA-ZDUSSCGKSA-N -1 3 314.363 1.751 20 5 DDBDHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000339123232 410061804 /nfs/dbraw/zinc/06/18/04/410061804.db2.gz ODIMQLFULIQAGE-VHSXEESVSA-N -1 3 318.326 1.772 20 5 DDBDHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc([N+](=O)[O-])c2C)C1=O ZINC000298194543 410128813 /nfs/dbraw/zinc/12/88/13/410128813.db2.gz CEFQCXSMUKWNRC-AWEZNQCLSA-N -1 3 320.305 1.269 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339774776 410451930 /nfs/dbraw/zinc/45/19/30/410451930.db2.gz YPCPTKYYUHMCFX-CVEARBPZSA-N -1 3 322.361 1.710 20 5 DDBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000352952638 410699252 /nfs/dbraw/zinc/69/92/52/410699252.db2.gz VXJVMUKNUPRGIM-WDEREUQCSA-N -1 3 313.379 1.356 20 5 DDBDHM COC[C@@]1(C(=O)[O-])CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000579967329 422867778 /nfs/dbraw/zinc/86/77/78/422867778.db2.gz DAHSBSUHRHTYRJ-OAHLLOKOSA-N -1 3 324.333 1.397 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@@H](C)O ZINC000386747018 418740886 /nfs/dbraw/zinc/74/08/86/418740886.db2.gz FOJJCEOUAIQLSN-GHMZBOCLSA-N -1 3 316.379 1.649 20 5 DDBDHM O=C([O-])c1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000391582555 418757092 /nfs/dbraw/zinc/75/70/92/418757092.db2.gz JHYVCXWBFMHQPX-LLVKDONJSA-N -1 3 320.349 1.753 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427156042 419608188 /nfs/dbraw/zinc/60/81/88/419608188.db2.gz VKOLXJGBAFPTBU-UHFFFAOYSA-N -1 3 305.250 1.060 20 5 DDBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(=O)[n-][nH]c1C1CC1 ZINC000421809645 419740661 /nfs/dbraw/zinc/74/06/61/419740661.db2.gz BSTVDJYBPMDZDO-JTQLQIEISA-N -1 3 322.708 1.699 20 5 DDBDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000420717959 420367396 /nfs/dbraw/zinc/36/73/96/420367396.db2.gz DTMNSLNFZOAZTG-GHMZBOCLSA-N -1 3 314.363 1.831 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000416568828 420420268 /nfs/dbraw/zinc/42/02/68/420420268.db2.gz ZYWODSIOPSRUMH-SNVBAGLBSA-N -1 3 324.362 1.676 20 5 DDBDHM O=C(Nc1nc2cccnc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994132 230149025 /nfs/dbraw/zinc/14/90/25/230149025.db2.gz UECXDSPWXHRDKF-UHFFFAOYSA-N -1 3 300.234 1.219 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416612752 420430760 /nfs/dbraw/zinc/43/07/60/420430760.db2.gz DELQGYDBHXFWQR-MFKMUULPSA-N -1 3 316.379 1.669 20 5 DDBDHM CCN1C[C@H](NCc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1=O ZINC000449516711 421019722 /nfs/dbraw/zinc/01/97/22/421019722.db2.gz HGQBXBIHSMACDE-SNVBAGLBSA-N -1 3 309.322 1.019 20 5 DDBDHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516575885 421554674 /nfs/dbraw/zinc/55/46/74/421554674.db2.gz FQPDGDZQKVARHE-GXTWGEPZSA-N -1 3 324.333 1.538 20 5 DDBDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000344671247 272085295 /nfs/dbraw/zinc/08/52/95/272085295.db2.gz OFMUVPSRVTXSDS-LBPRGKRZSA-N -1 3 322.365 1.546 20 5 DDBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1C ZINC000179668449 281838401 /nfs/dbraw/zinc/83/84/01/281838401.db2.gz GFHMDOZMUVXSAT-UHFFFAOYSA-N -1 3 324.362 1.621 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1 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CC(=O)N1CCC2(C1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001064572064 754714582 /nfs/dbraw/zinc/71/45/82/754714582.db2.gz FPGKOUMPPZCQEX-UHFFFAOYSA-N -1 3 320.349 1.534 20 5 DDBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001118996593 756883431 /nfs/dbraw/zinc/88/34/31/756883431.db2.gz PPXXTKUESLGAML-RKDXNWHRSA-N -1 3 320.392 1.811 20 5 DDBDHM C/C=C(\C)C(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057121906 762676780 /nfs/dbraw/zinc/67/67/80/762676780.db2.gz ISZNSTVSVJSCHE-QDEBKDIKSA-N -1 3 320.349 1.700 20 5 DDBDHM CC(C)=CC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109368576 763611693 /nfs/dbraw/zinc/61/16/93/763611693.db2.gz AYYZTZSVMSOFNQ-UHFFFAOYSA-N -1 3 308.338 1.922 20 5 DDBDHM CC(C)=CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110055346 764343627 /nfs/dbraw/zinc/34/36/27/764343627.db2.gz JNYSWCYJKLZUCM-UHFFFAOYSA-N -1 3 306.322 1.722 20 5 DDBDHM O=C(CC1CCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110092407 765813902 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COc1cc(C[NH2+]CC[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001324575367 867370490 /nfs/dbraw/zinc/37/04/90/867370490.db2.gz NIDJFCQHKRTWKV-VIFPVBQESA-N -1 3 312.322 1.900 20 5 DDBDHM Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001164304027 869105783 /nfs/dbraw/zinc/10/57/83/869105783.db2.gz ZEXDTQDXYOPECW-JTQLQIEISA-N -1 3 316.321 1.485 20 5 DDBDHM Cc1cc(=O)[n-]c(CNC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001164370277 869158600 /nfs/dbraw/zinc/15/86/00/869158600.db2.gz YNNJQKSGWYGKRX-UHFFFAOYSA-N -1 3 306.253 1.468 20 5 DDBDHM CCc1nc(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001226475877 882454503 /nfs/dbraw/zinc/45/45/03/882454503.db2.gz NIFQVQMIBFSEPN-QMMMGPOBSA-N -1 3 307.310 1.625 20 5 DDBDHM C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001304130671 871193095 /nfs/dbraw/zinc/19/30/95/871193095.db2.gz BNWRTDFBANZDTN-ZCFIWIBFSA-N -1 3 323.275 1.836 20 5 DDBDHM C[C@H]1CCCN1c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001344703770 873084217 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CN1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997026 185395629 /nfs/dbraw/zinc/39/56/29/185395629.db2.gz QAXIDGLFCSPOGK-UHFFFAOYSA-N -1 3 317.342 1.106 20 5 DDBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000047668853 352507432 /nfs/dbraw/zinc/50/74/32/352507432.db2.gz CLAJSFWPSDXKSI-UHFFFAOYSA-N -1 3 324.362 1.468 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000122565289 354026716 /nfs/dbraw/zinc/02/67/16/354026716.db2.gz GZJDQBBTEPKAEH-LLVKDONJSA-N -1 3 316.379 1.589 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(N)c2)c([N+](=O)[O-])c1 ZINC000158307944 354229365 /nfs/dbraw/zinc/22/93/65/354229365.db2.gz AMJJXCKIZCZGCJ-UHFFFAOYSA-N -1 3 321.358 1.964 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C)C1 ZINC000592106669 355501072 /nfs/dbraw/zinc/50/10/72/355501072.db2.gz LBIAELZBCKACSY-IUCAKERBSA-N -1 3 316.335 1.059 20 5 DDBDHM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C)C1 ZINC000592828142 355704984 /nfs/dbraw/zinc/70/49/84/355704984.db2.gz DGFMBNBKKSRCDS-LLVKDONJSA-N -1 3 307.350 1.857 20 5 DDBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593612879 355942973 /nfs/dbraw/zinc/94/29/73/355942973.db2.gz IHQINNTZIIKERF-CBAPKCEASA-N -1 3 303.365 1.162 20 5 DDBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594849879 356336903 /nfs/dbraw/zinc/33/69/03/356336903.db2.gz AMKBMEYESDDMJC-JTQLQIEISA-N -1 3 306.290 1.918 20 5 DDBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595391455 356475944 /nfs/dbraw/zinc/47/59/44/356475944.db2.gz CMJFSERDSMWOFI-JTQLQIEISA-N -1 3 314.363 1.688 20 5 DDBDHM CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000597858163 357361087 /nfs/dbraw/zinc/36/10/87/357361087.db2.gz KZZCFBBTMSWKDR-NSHDSACASA-N -1 3 307.350 1.903 20 5 DDBDHM CN(C)CCn1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000610891440 360565509 /nfs/dbraw/zinc/56/55/09/360565509.db2.gz ZBAHCNJEXIKNSG-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(C)(C)O ZINC000274711657 211860565 /nfs/dbraw/zinc/86/05/65/211860565.db2.gz DEKOMCPPZRIQTG-UHFFFAOYSA-N -1 3 302.352 1.343 20 5 DDBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)n1 ZINC000351742742 284492161 /nfs/dbraw/zinc/49/21/61/284492161.db2.gz VZMRQUAVMUKZSK-UHFFFAOYSA-N -1 3 304.262 1.660 20 5 DDBDHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000339047587 250266991 /nfs/dbraw/zinc/26/69/91/250266991.db2.gz LHCSTWLNSRANMG-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(=O)n(C)c1 ZINC000057122790 184027283 /nfs/dbraw/zinc/02/72/83/184027283.db2.gz FCFHLNKOLLPGEA-UHFFFAOYSA-N -1 3 323.330 1.403 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)c1C ZINC000340819442 251227405 /nfs/dbraw/zinc/22/74/05/251227405.db2.gz KLKZNXUWAOGSQT-NXEZZACHSA-N -1 3 316.379 1.649 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000157870817 197222252 /nfs/dbraw/zinc/22/22/52/197222252.db2.gz DLNPNMCOOIOXIP-JTQLQIEISA-N -1 3 318.351 1.043 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000152280587 196800005 /nfs/dbraw/zinc/80/00/05/196800005.db2.gz OKPXRYYAAORFRL-SECBINFHSA-N -1 3 302.377 1.769 20 5 DDBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352872004 285349972 /nfs/dbraw/zinc/34/99/72/285349972.db2.gz PTRAWPDYICFSHB-GHMZBOCLSA-N -1 3 316.379 1.670 20 5 DDBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000111356193 407409177 /nfs/dbraw/zinc/40/91/77/407409177.db2.gz MDFRRAGAQQFTBU-UHFFFAOYSA-N -1 3 321.358 1.819 20 5 DDBDHM CS(=O)(=O)[N-]c1ccc(C(=O)Cn2nccc2[N+](=O)[O-])cc1 ZINC000170839156 407525171 /nfs/dbraw/zinc/52/51/71/407525171.db2.gz UPDZRJQRUNRSBF-UHFFFAOYSA-N -1 3 324.318 1.046 20 5 DDBDHM CCCc1[nH]nc(C(=O)[N-]c2nnc3ccccn32)c1[N+](=O)[O-] ZINC000155434905 408165197 /nfs/dbraw/zinc/16/51/97/408165197.db2.gz UPQMPIRAIWHMOJ-UHFFFAOYSA-N -1 3 315.293 1.565 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)cc1C ZINC000121421302 408208208 /nfs/dbraw/zinc/20/82/08/408208208.db2.gz XTVPZBLSILSTJO-MNOVXSKESA-N -1 3 314.363 1.667 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C ZINC000270625192 408609596 /nfs/dbraw/zinc/60/95/96/408609596.db2.gz KZEWUAHASAAUCE-PSASIEDQSA-N -1 3 316.335 1.059 20 5 DDBDHM CSc1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC000280797694 408835848 /nfs/dbraw/zinc/83/58/48/408835848.db2.gz LSKVDXMUMUGJIB-UHFFFAOYSA-N -1 3 323.334 1.761 20 5 DDBDHM CSc1n[n-]c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000280797694 408835851 /nfs/dbraw/zinc/83/58/51/408835851.db2.gz LSKVDXMUMUGJIB-UHFFFAOYSA-N -1 3 323.334 1.761 20 5 DDBDHM CSc1nc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000280797694 408835854 /nfs/dbraw/zinc/83/58/54/408835854.db2.gz LSKVDXMUMUGJIB-UHFFFAOYSA-N -1 3 323.334 1.761 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2nnc(C)n2C2CC2)c1[N+](=O)[O-] ZINC000285687580 408842897 /nfs/dbraw/zinc/84/28/97/408842897.db2.gz AFWCADFTVVAQQS-UHFFFAOYSA-N -1 3 305.298 1.367 20 5 DDBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000285767563 408860048 /nfs/dbraw/zinc/86/00/48/408860048.db2.gz XQKSKHSHOGFOFQ-WDEREUQCSA-N -1 3 314.363 1.546 20 5 DDBDHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000287048012 409003055 /nfs/dbraw/zinc/00/30/55/409003055.db2.gz JDKAFOLHYZMTMX-BXUZGUMPSA-N -1 3 319.361 1.999 20 5 DDBDHM CC(C)(O)c1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000290552509 409442491 /nfs/dbraw/zinc/44/24/91/409442491.db2.gz MQIWBBAZMXRPIG-UHFFFAOYSA-N -1 3 324.318 1.632 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NOC(C)(C)CO ZINC000296819438 409646638 /nfs/dbraw/zinc/64/66/38/409646638.db2.gz RZOUOHPHOXVQCM-UHFFFAOYSA-N -1 3 313.310 1.818 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC(C)(C)CO ZINC000296819438 409646643 /nfs/dbraw/zinc/64/66/43/409646643.db2.gz RZOUOHPHOXVQCM-UHFFFAOYSA-N -1 3 313.310 1.818 20 5 DDBDHM COC(=O)c1ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(F)c1 ZINC000355503852 410551715 /nfs/dbraw/zinc/55/17/15/410551715.db2.gz JBEVFLMHMHEACL-UHFFFAOYSA-N -1 3 322.252 1.506 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCCF)cc1[N+](=O)[O-] ZINC000360263919 411116476 /nfs/dbraw/zinc/11/64/76/411116476.db2.gz ABQIGISRYQBKJJ-UHFFFAOYSA-N -1 3 324.305 1.771 20 5 DDBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000416614197 225005104 /nfs/dbraw/zinc/00/51/04/225005104.db2.gz HSEMAXCITFIURJ-SNVBAGLBSA-N -1 3 314.363 1.831 20 5 DDBDHM CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)C1 ZINC000293617901 418580317 /nfs/dbraw/zinc/58/03/17/418580317.db2.gz DIFDDXMDVZTURX-HNNXBMFYSA-N -1 3 305.334 1.468 20 5 DDBDHM Cc1n[nH]c([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000412039324 419583844 /nfs/dbraw/zinc/58/38/44/419583844.db2.gz KHVKKGBBDQCMCV-JTQLQIEISA-N -1 3 303.322 1.716 20 5 DDBDHM Cc1nc([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412039324 419583854 /nfs/dbraw/zinc/58/38/54/419583854.db2.gz KHVKKGBBDQCMCV-JTQLQIEISA-N -1 3 303.322 1.716 20 5 DDBDHM Cc1nnc([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)[nH]1 ZINC000412039324 419583861 /nfs/dbraw/zinc/58/38/61/419583861.db2.gz KHVKKGBBDQCMCV-JTQLQIEISA-N -1 3 303.322 1.716 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000433365106 229196794 /nfs/dbraw/zinc/19/67/94/229196794.db2.gz OZEGISHXBOHPMN-SNVBAGLBSA-N -1 3 302.352 1.343 20 5 DDBDHM Cc1c(CNC(=O)C(=O)[N-]c2cnns2)cccc1[N+](=O)[O-] ZINC000430029263 420072134 /nfs/dbraw/zinc/07/21/34/420072134.db2.gz SEHQHBNSUFCUQE-UHFFFAOYSA-N -1 3 321.318 1.010 20 5 DDBDHM COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1C ZINC000439112205 420481043 /nfs/dbraw/zinc/48/10/43/420481043.db2.gz BGPKIGJMFPPMLH-UHFFFAOYSA-N -1 3 320.261 1.073 20 5 DDBDHM Cc1ncc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000492497867 420575483 /nfs/dbraw/zinc/57/54/83/420575483.db2.gz CLNHGTDPODXRPY-QPJJXVBHSA-N -1 3 314.301 1.728 20 5 DDBDHM CCN1C[C@@H](NCc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1=O ZINC000449516708 421019946 /nfs/dbraw/zinc/01/99/46/421019946.db2.gz HGQBXBIHSMACDE-JTQLQIEISA-N -1 3 309.322 1.019 20 5 DDBDHM C[C@H](CN(C)c1nccc2c1cccc2[N+](=O)[O-])c1nnn[n-]1 ZINC000450438695 421197593 /nfs/dbraw/zinc/19/75/93/421197593.db2.gz KYYAMGONWXERBN-SECBINFHSA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@H](CN(C)c1nccc2c1cccc2[N+](=O)[O-])c1nn[n-]n1 ZINC000450438695 421197594 /nfs/dbraw/zinc/19/75/94/421197594.db2.gz KYYAMGONWXERBN-SECBINFHSA-N -1 3 313.321 1.896 20 5 DDBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594421299 422348431 /nfs/dbraw/zinc/34/84/31/422348431.db2.gz SIMXLQDTNGQIBR-UHFFFAOYSA-N -1 3 304.310 1.401 20 5 DDBDHM C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C ZINC000175107230 297258464 /nfs/dbraw/zinc/25/84/64/297258464.db2.gz GQGOQIBQZIHIGV-PWSUYJOCSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000266304063 302048881 /nfs/dbraw/zinc/04/88/81/302048881.db2.gz OINANQWTJDYOMF-SECBINFHSA-N -1 3 302.377 1.687 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000523492538 302897778 /nfs/dbraw/zinc/89/77/78/302897778.db2.gz LQQPXALKXHPJDO-UHFFFAOYSA-N -1 3 316.379 1.997 20 5 DDBDHM NC(=O)Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000362362190 307018685 /nfs/dbraw/zinc/01/86/85/307018685.db2.gz VXSMQPRADXOCAF-UHFFFAOYSA-N -1 3 317.261 1.438 20 5 DDBDHM C[C@](O)(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000576046559 308286645 /nfs/dbraw/zinc/28/66/45/308286645.db2.gz STFYEIUSDPLMRL-HNNXBMFYSA-N -1 3 324.333 1.274 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000386791902 325761773 /nfs/dbraw/zinc/76/17/73/325761773.db2.gz AHUHPPDAHVVRPP-CBAPKCEASA-N -1 3 322.770 1.686 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)F ZINC000451085499 529196501 /nfs/dbraw/zinc/19/65/01/529196501.db2.gz SIZSTUCLILPFQH-MRVPVSSYSA-N -1 3 324.305 1.925 20 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CC[C@@H](O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820933222 599580975 /nfs/dbraw/zinc/58/09/75/599580975.db2.gz SVXUSMIJMYRTCA-SNVBAGLBSA-N -1 3 306.326 1.738 20 5 DDBDHM CC[C@@H](O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820933222 599580977 /nfs/dbraw/zinc/58/09/77/599580977.db2.gz SVXUSMIJMYRTCA-SNVBAGLBSA-N -1 3 306.326 1.738 20 5 DDBDHM CC(C)(C)CN(CCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824086127 607447999 /nfs/dbraw/zinc/44/79/99/607447999.db2.gz KHXGTAAZTZGHIW-UHFFFAOYSA-N -1 3 320.353 1.620 20 5 DDBDHM CC(C)(C)CN(CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824086127 607448000 /nfs/dbraw/zinc/44/80/00/607448000.db2.gz KHXGTAAZTZGHIW-UHFFFAOYSA-N -1 3 320.353 1.620 20 5 DDBDHM O=C([O-])CNC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000833250586 604787089 /nfs/dbraw/zinc/78/70/89/604787089.db2.gz LXOJFDMOSODCEH-UHFFFAOYSA-N -1 3 321.333 1.150 20 5 DDBDHM CC(C)n1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000820215085 606706281 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/nfs/dbraw/zinc/83/97/88/356839788.db2.gz LJLWTPCSSVIKME-LLVKDONJSA-N -1 3 319.317 1.892 20 5 DDBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CN1 ZINC000599104014 357816538 /nfs/dbraw/zinc/81/65/38/357816538.db2.gz KWXRKXMUODMBIB-BDAKNGLRSA-N -1 3 317.342 1.153 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(N(C)C)CC1 ZINC000601449189 358558677 /nfs/dbraw/zinc/55/86/77/358558677.db2.gz VQRRFMQTSNAGIA-UHFFFAOYSA-N -1 3 313.379 1.276 20 5 DDBDHM CC(C)Cn1ccnc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187047084 200052863 /nfs/dbraw/zinc/05/28/63/200052863.db2.gz JUNKQGXDDOYXRF-UHFFFAOYSA-N -1 3 305.294 1.800 20 5 DDBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188525189 200261851 /nfs/dbraw/zinc/26/18/51/200261851.db2.gz RHBRWEIUAINWDW-YUMQZZPRSA-N -1 3 322.770 1.950 20 5 DDBDHM CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619866831 364165928 /nfs/dbraw/zinc/16/59/28/364165928.db2.gz CAQXFGKGHIWWEL-GFCCVEGCSA-N -1 3 307.350 1.857 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]Cc2cncn2C)cc1[N+](=O)[O-] ZINC000349778178 284049374 /nfs/dbraw/zinc/04/93/74/284049374.db2.gz RLHWPMGMMPCBAB-UHFFFAOYSA-N -1 3 316.364 1.177 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000275034409 212086105 /nfs/dbraw/zinc/08/61/05/212086105.db2.gz CWGULHAIIPZHSL-HTQZYQBOSA-N -1 3 318.326 1.677 20 5 DDBDHM O=C([O-])CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000568066789 304266040 /nfs/dbraw/zinc/26/60/40/304266040.db2.gz CEHZPOVFXUKVSR-UHFFFAOYSA-N -1 3 304.306 1.378 20 5 DDBDHM CSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000128699051 407564298 /nfs/dbraw/zinc/56/42/98/407564298.db2.gz UKNIWGYSOFDJDX-UHFFFAOYSA-N -1 3 308.356 1.765 20 5 DDBDHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122515426 407303628 /nfs/dbraw/zinc/30/36/28/407303628.db2.gz JUFBOJPWMVKESC-LLVKDONJSA-N -1 3 320.342 1.419 20 5 DDBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000228561664 407648983 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CO)CC2)cc1C ZINC000164238861 408795619 /nfs/dbraw/zinc/79/56/19/408795619.db2.gz BJOIWBMEDSPQFW-UHFFFAOYSA-N -1 3 300.336 1.015 20 5 DDBDHM CCn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000285955083 408895948 /nfs/dbraw/zinc/89/59/48/408895948.db2.gz VQJZTZUGSNWVKL-UHFFFAOYSA-N -1 3 320.265 1.675 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O ZINC000228202778 163340221 /nfs/dbraw/zinc/34/02/21/163340221.db2.gz JOQLVAOZCKDHLA-DTWKUNHWSA-N -1 3 318.351 1.041 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000277717947 408997680 /nfs/dbraw/zinc/99/76/80/408997680.db2.gz MSDALIBFVRNMAR-LBPRGKRZSA-N -1 3 320.349 1.396 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000287559929 409055724 /nfs/dbraw/zinc/05/57/24/409055724.db2.gz WEIALBJHDRSAKU-UHFFFAOYSA-N -1 3 312.347 1.528 20 5 DDBDHM COCCCO[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000287877280 409107848 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DDBDHM CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000457108986 420617665 /nfs/dbraw/zinc/61/76/65/420617665.db2.gz GOVPRMNSPSWCQO-LBPRGKRZSA-N -1 3 307.350 1.855 20 5 DDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493372111 420831186 /nfs/dbraw/zinc/83/11/86/420831186.db2.gz RZBOTMZSTDSYIH-DIECRNLCSA-N -1 3 312.297 1.812 20 5 DDBDHM Cc1nc(NCc2nnc(C(F)(F)F)[n-]2)ncc1[N+](=O)[O-] ZINC000450454217 421199841 /nfs/dbraw/zinc/19/98/41/421199841.db2.gz KQNPLCRBANAWQM-UHFFFAOYSA-N -1 3 303.204 1.442 20 5 DDBDHM Cc1nc(NCc2n[n-]c(C(F)(F)F)n2)ncc1[N+](=O)[O-] ZINC000450454217 421199843 /nfs/dbraw/zinc/19/98/43/421199843.db2.gz KQNPLCRBANAWQM-UHFFFAOYSA-N -1 3 303.204 1.442 20 5 DDBDHM Cc1nc(NCc2nc(C(F)(F)F)n[n-]2)ncc1[N+](=O)[O-] ZINC000450454217 421199844 /nfs/dbraw/zinc/19/98/44/421199844.db2.gz KQNPLCRBANAWQM-UHFFFAOYSA-N -1 3 303.204 1.442 20 5 DDBDHM CN1CCC[C@@]2(CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000563959957 421560816 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Cc1sc(S(=O)(=O)[N-][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000125761686 281214841 /nfs/dbraw/zinc/21/48/41/281214841.db2.gz HUUCXEZNDRDMRN-JTQLQIEISA-N -1 3 306.365 1.422 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000127816209 281286881 /nfs/dbraw/zinc/28/68/81/281286881.db2.gz HJVKQWZGDOPSHK-JTQLQIEISA-N -1 3 312.347 1.990 20 5 DDBDHM C[C@@]1(C[C@H]2CCCN2c2ccccc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000286436343 297902507 /nfs/dbraw/zinc/90/25/07/297902507.db2.gz QYVPROYHUUURLV-BMIGLBTASA-N -1 3 318.333 1.552 20 5 DDBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cn([C@@H]2CCOC2)nn1 ZINC000362477400 300073760 /nfs/dbraw/zinc/07/37/60/300073760.db2.gz UDRYLTZVYNRKFC-SECBINFHSA-N -1 3 321.268 1.539 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H](C)O ZINC000386811727 325762225 /nfs/dbraw/zinc/76/22/25/325762225.db2.gz RWOXOSYKJGOHMR-WCBMZHEXSA-N -1 3 318.351 1.041 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000386956398 325763601 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DDBDHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000092407256 185316608 /nfs/dbraw/zinc/31/66/08/185316608.db2.gz WMMDHYURURYBRC-SNVBAGLBSA-N -1 3 306.315 1.029 20 5 DDBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000225773154 201744988 /nfs/dbraw/zinc/74/49/88/201744988.db2.gz NNXXAOBQVLVCKZ-UHFFFAOYSA-N -1 3 320.342 1.562 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000126190438 354052016 /nfs/dbraw/zinc/05/20/16/354052016.db2.gz UDEATAJIYOFDPZ-JTQLQIEISA-N -1 3 302.352 1.343 20 5 DDBDHM COc1ccc([N-]C(=O)c2cnn3cccnc23)c([N+](=O)[O-])c1 ZINC000141171771 354138713 /nfs/dbraw/zinc/13/87/13/354138713.db2.gz IZVQBDZEJBCSRD-UHFFFAOYSA-N -1 3 313.273 1.898 20 5 DDBDHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000593331581 355855816 /nfs/dbraw/zinc/85/58/16/355855816.db2.gz GQXDDDIVAJIQSH-JTQLQIEISA-N -1 3 312.322 1.907 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)nc1 ZINC000593574569 355931226 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20 5 DDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280697956 215799446 /nfs/dbraw/zinc/79/94/46/215799446.db2.gz AFRHNKSOIQPGKH-SNVBAGLBSA-N -1 3 317.349 1.947 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601453464 358560779 /nfs/dbraw/zinc/56/07/79/358560779.db2.gz UAHUNHYLAOFASE-HTRCEHHLSA-N -1 3 306.365 1.420 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000348140633 283387292 /nfs/dbraw/zinc/38/72/92/283387292.db2.gz RMXQLJKSJAVREF-UHFFFAOYSA-N -1 3 300.196 1.998 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000611133967 360632562 /nfs/dbraw/zinc/63/25/62/360632562.db2.gz BISIYEBXTNSWHT-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM C[C@@H]1CCCCN1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566295113 304140477 /nfs/dbraw/zinc/14/04/77/304140477.db2.gz RJMQNNFKYQRSPB-SNVBAGLBSA-N -1 3 308.338 1.974 20 5 DDBDHM O=C(c1csc(=O)[n-]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000350780605 284259669 /nfs/dbraw/zinc/25/96/69/284259669.db2.gz FDBQAPNKPKSVHG-UHFFFAOYSA-N -1 3 306.303 1.350 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC ZINC000267874772 206314466 /nfs/dbraw/zinc/31/44/66/206314466.db2.gz DQEDYSGSFNSXEV-SECBINFHSA-N -1 3 316.335 1.133 20 5 DDBDHM O=c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000336848245 249254469 /nfs/dbraw/zinc/25/44/69/249254469.db2.gz ILFGARXYIPWMOM-UHFFFAOYSA-N -1 3 309.303 1.637 20 5 DDBDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000338726433 250107610 /nfs/dbraw/zinc/10/76/10/250107610.db2.gz ODWOKZIJMQCYTQ-GHMZBOCLSA-N -1 3 314.363 1.831 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000339121636 250303789 /nfs/dbraw/zinc/30/37/89/250303789.db2.gz WBWQOIWJKLBBIZ-VHSXEESVSA-N -1 3 318.326 1.772 20 5 DDBDHM Cc1nnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1C1CC1 ZINC000285802693 218644628 /nfs/dbraw/zinc/64/46/28/218644628.db2.gz QJFLRHBCRCPMBJ-UHFFFAOYSA-N -1 3 319.325 1.928 20 5 DDBDHM CSc1cccc(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000340860576 251247544 /nfs/dbraw/zinc/24/75/44/251247544.db2.gz JTGCHOCNCQYFET-UHFFFAOYSA-N -1 3 322.350 1.753 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC1(C)C ZINC000352475117 285077312 /nfs/dbraw/zinc/07/73/12/285077312.db2.gz BEUGAEATUOQNMO-VIFPVBQESA-N -1 3 314.363 1.928 20 5 DDBDHM O=C([O-])[C@H]1CSCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000579614344 422803820 /nfs/dbraw/zinc/80/38/20/422803820.db2.gz ABMHQMIMQJOURH-GFCCVEGCSA-N -1 3 312.347 1.476 20 5 DDBDHM COc1cc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)ccc1[N+](=O)[O-] ZINC000451073256 533101975 /nfs/dbraw/zinc/10/19/75/533101975.db2.gz QKPYRTOETBOBTB-ZETCQYMHSA-N -1 3 324.305 1.925 20 5 DDBDHM CCOC[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360020337 299581561 /nfs/dbraw/zinc/58/15/61/299581561.db2.gz ABAGDKIKMGGKCV-LLVKDONJSA-N -1 3 316.379 1.915 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CC1(O)CCCC1 ZINC000087041652 407117373 /nfs/dbraw/zinc/11/73/73/407117373.db2.gz YBGYLHBIZSUTNJ-UHFFFAOYSA-N -1 3 314.363 1.319 20 5 DDBDHM COCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066936443 407263530 /nfs/dbraw/zinc/26/35/30/407263530.db2.gz MZSOFDHFOSFREI-UHFFFAOYSA-N -1 3 322.770 1.952 20 5 DDBDHM CCCCOCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000195236878 407442046 /nfs/dbraw/zinc/44/20/46/407442046.db2.gz IFKGYYLTDHFSNL-UHFFFAOYSA-N -1 3 316.379 1.998 20 5 DDBDHM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)s1 ZINC000180517334 407895954 /nfs/dbraw/zinc/89/59/54/407895954.db2.gz RTJBLAJHFCNIHI-UHFFFAOYSA-N -1 3 308.323 1.799 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2cc(C)on2)cc([N+](=O)[O-])c1 ZINC000118723444 407937988 /nfs/dbraw/zinc/93/79/88/407937988.db2.gz IUIKBSUUWUUGLW-UHFFFAOYSA-N -1 3 305.246 1.930 20 5 DDBDHM Cc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1[N+](=O)[O-] ZINC000273193509 408101078 /nfs/dbraw/zinc/10/10/78/408101078.db2.gz HBAQUXRPAZIWGL-UHFFFAOYSA-N -1 3 314.301 1.597 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCCO)c1[N+](=O)[O-] ZINC000190068961 408156513 /nfs/dbraw/zinc/15/65/13/408156513.db2.gz LTXAVKMRCBHENU-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1C1CC1 ZINC000164909359 408806768 /nfs/dbraw/zinc/80/67/68/408806768.db2.gz KXAIUFPQPNEDLN-ONGXEEELSA-N -1 3 305.334 1.655 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCSC2)c1[N+](=O)[O-] ZINC000276873955 408901896 /nfs/dbraw/zinc/90/18/96/408901896.db2.gz RPFFKAGIMMCDKT-JTQLQIEISA-N -1 3 316.404 1.995 20 5 DDBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000296041833 409409463 /nfs/dbraw/zinc/40/94/63/409409463.db2.gz BPTQNOHRXNPVAT-SECBINFHSA-N -1 3 320.342 1.421 20 5 DDBDHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000295299554 409420027 /nfs/dbraw/zinc/42/00/27/409420027.db2.gz OAVZPFVIFRLZGP-GFCCVEGCSA-N -1 3 314.363 1.582 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000359986960 410985646 /nfs/dbraw/zinc/98/56/46/410985646.db2.gz MFKVGAPNEJXDBE-SECBINFHSA-N -1 3 322.408 1.650 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427646041 419706304 /nfs/dbraw/zinc/70/63/04/419706304.db2.gz POZSCTKJXGWCPF-UHFFFAOYSA-N -1 3 320.261 1.365 20 5 DDBDHM CCn1ccc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])n1 ZINC000414477620 419816874 /nfs/dbraw/zinc/81/68/74/419816874.db2.gz DCPGPJZYMRGBBF-UHFFFAOYSA-N -1 3 306.322 1.815 20 5 DDBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000457091916 420606749 /nfs/dbraw/zinc/60/67/49/420606749.db2.gz NCESVUBDLGOOMX-GFCCVEGCSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CN(C)C ZINC000344873440 272134281 /nfs/dbraw/zinc/13/42/81/272134281.db2.gz AYTJHSWDGBCFDV-SNVBAGLBSA-N -1 3 301.368 1.132 20 5 DDBDHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000344915875 272139742 /nfs/dbraw/zinc/13/97/42/272139742.db2.gz JCSGPAPEXFFANN-MRVPVSSYSA-N -1 3 321.786 1.477 20 5 DDBDHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000345950630 272373376 /nfs/dbraw/zinc/37/33/76/272373376.db2.gz YKFRAFUPGPAPFE-UHFFFAOYSA-N -1 3 306.253 1.977 20 5 DDBDHM CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000077497736 281819529 /nfs/dbraw/zinc/81/95/29/281819529.db2.gz QWQMNPRCIORDQB-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@H](C)C1 ZINC000271230324 302050386 /nfs/dbraw/zinc/05/03/86/302050386.db2.gz IQTZYZPBPJEOTN-MNOVXSKESA-N -1 3 314.363 1.749 20 5 DDBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000525703675 307485386 /nfs/dbraw/zinc/48/53/86/307485386.db2.gz QABRMEGPQAKDRG-LLVKDONJSA-N -1 3 316.379 1.853 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000158341281 525565749 /nfs/dbraw/zinc/56/57/49/525565749.db2.gz MZVSQTKIJDRYQD-UHFFFAOYSA-N -1 3 314.363 1.487 20 5 DDBDHM CS[C@@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737172266 598854284 /nfs/dbraw/zinc/85/42/84/598854284.db2.gz SIDXQMAHRJWSEE-CPCISQLKSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737172266 598854285 /nfs/dbraw/zinc/85/42/85/598854285.db2.gz SIDXQMAHRJWSEE-CPCISQLKSA-N -1 3 324.366 1.299 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000822698798 599057855 /nfs/dbraw/zinc/05/78/55/599057855.db2.gz FXDCTRRJEZGKPV-UHFFFAOYSA-N -1 3 321.297 1.799 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000822698798 599057858 /nfs/dbraw/zinc/05/78/58/599057858.db2.gz FXDCTRRJEZGKPV-UHFFFAOYSA-N -1 3 321.297 1.799 20 5 DDBDHM CC[C@H]1COCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736408250 599065379 /nfs/dbraw/zinc/06/53/79/599065379.db2.gz RHVYTLSFBIKDTN-VIFPVBQESA-N -1 3 304.310 1.390 20 5 DDBDHM CC[C@H]1COCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736408250 599065382 /nfs/dbraw/zinc/06/53/82/599065382.db2.gz RHVYTLSFBIKDTN-VIFPVBQESA-N -1 3 304.310 1.390 20 5 DDBDHM O=[N+]([O-])c1cc(NC[C@H]2CCC[C@H]2O)ccc1-c1nnn[n-]1 ZINC000826498306 607842324 /nfs/dbraw/zinc/84/23/24/607842324.db2.gz PABFHMIXVMNWJG-PRHODGIISA-N -1 3 304.310 1.348 20 5 DDBDHM CC(C)C[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735772440 598501917 /nfs/dbraw/zinc/50/19/17/598501917.db2.gz SYMAEPHHZLOAQH-SNVBAGLBSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)C[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735772440 598501918 /nfs/dbraw/zinc/50/19/18/598501918.db2.gz SYMAEPHHZLOAQH-SNVBAGLBSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735769643 598502014 /nfs/dbraw/zinc/50/20/14/598502014.db2.gz IQKFQMCBCZWRIT-VIFPVBQESA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735769643 598502015 /nfs/dbraw/zinc/50/20/15/598502015.db2.gz IQKFQMCBCZWRIT-VIFPVBQESA-N -1 3 306.326 1.594 20 5 DDBDHM COC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736970069 598817576 /nfs/dbraw/zinc/81/75/76/598817576.db2.gz ASUWAENKXNNTHA-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM COC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736970069 598817578 /nfs/dbraw/zinc/81/75/78/598817578.db2.gz ASUWAENKXNNTHA-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CC[C@@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820881796 599359882 /nfs/dbraw/zinc/35/98/82/599359882.db2.gz CZYRNLDXYZLTTN-ZJUUUORDSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820881796 599359884 /nfs/dbraw/zinc/35/98/84/599359884.db2.gz CZYRNLDXYZLTTN-ZJUUUORDSA-N -1 3 320.353 1.984 20 5 DDBDHM C[C@H](CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)[O-] ZINC000736569985 600371612 /nfs/dbraw/zinc/37/16/12/600371612.db2.gz AAPDZBDCWZDJBF-ZWNOBZJWSA-N -1 3 321.333 1.353 20 5 DDBDHM Cc1nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833016805 602198991 /nfs/dbraw/zinc/19/89/91/602198991.db2.gz IBUOXCJPQZOJQR-TVQRCGJNSA-N -1 3 318.333 1.863 20 5 DDBDHM CN(CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825902147 607738537 /nfs/dbraw/zinc/73/85/37/607738537.db2.gz OOKOXXNMDGBNJD-UHFFFAOYSA-N -1 3 318.337 1.516 20 5 DDBDHM CN(CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825902147 607738538 /nfs/dbraw/zinc/73/85/38/607738538.db2.gz OOKOXXNMDGBNJD-UHFFFAOYSA-N -1 3 318.337 1.516 20 5 DDBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823430924 606232112 /nfs/dbraw/zinc/23/21/12/606232112.db2.gz MANQLBFGXIQADD-UHFFFAOYSA-N -1 3 314.261 1.460 20 5 DDBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823430924 606232113 /nfs/dbraw/zinc/23/21/13/606232113.db2.gz MANQLBFGXIQADD-UHFFFAOYSA-N -1 3 314.261 1.460 20 5 DDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823261675 606264576 /nfs/dbraw/zinc/26/45/76/606264576.db2.gz PVMVWMSULGLDGQ-UHFFFAOYSA-N -1 3 313.277 1.033 20 5 DDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823261675 606264578 /nfs/dbraw/zinc/26/45/78/606264578.db2.gz PVMVWMSULGLDGQ-UHFFFAOYSA-N -1 3 313.277 1.033 20 5 DDBDHM Cc1nnc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822511037 607111738 /nfs/dbraw/zinc/11/17/38/607111738.db2.gz ZTPMIDGBCUXWOZ-LURJTMIESA-N -1 3 316.281 1.639 20 5 DDBDHM Cc1nnc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000822511037 607111739 /nfs/dbraw/zinc/11/17/39/607111739.db2.gz ZTPMIDGBCUXWOZ-LURJTMIESA-N -1 3 316.281 1.639 20 5 DDBDHM CCOC(=O)CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821330028 607174445 /nfs/dbraw/zinc/17/44/45/607174445.db2.gz BLDFVDQRCNOBBK-UHFFFAOYSA-N -1 3 320.309 1.164 20 5 DDBDHM CCOC(=O)CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821330028 607174446 /nfs/dbraw/zinc/17/44/46/607174446.db2.gz BLDFVDQRCNOBBK-UHFFFAOYSA-N -1 3 320.309 1.164 20 5 DDBDHM O=[N+]([O-])c1cnn(CCNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000823651094 607175914 /nfs/dbraw/zinc/17/59/14/607175914.db2.gz FXXIEHBSWKXTSW-UHFFFAOYSA-N -1 3 318.272 1.223 20 5 DDBDHM O=[N+]([O-])c1cnn(CCNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000823651094 607175915 /nfs/dbraw/zinc/17/59/15/607175915.db2.gz FXXIEHBSWKXTSW-UHFFFAOYSA-N -1 3 318.272 1.223 20 5 DDBDHM CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824795995 607821674 /nfs/dbraw/zinc/82/16/74/607821674.db2.gz LCNPJZXMZVGXEU-MRVPVSSYSA-N -1 3 319.325 1.539 20 5 DDBDHM CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824795995 607821675 /nfs/dbraw/zinc/82/16/75/607821675.db2.gz LCNPJZXMZVGXEU-MRVPVSSYSA-N -1 3 319.325 1.539 20 5 DDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000732220184 699551250 /nfs/dbraw/zinc/55/12/50/699551250.db2.gz XQNQDVWZFWRTNU-UHFFFAOYSA-N -1 3 301.255 1.533 20 5 DDBDHM NC(=O)c1ccc(COC(=O)c2cncc([O-])c2)c([N+](=O)[O-])c1 ZINC000732394691 699558825 /nfs/dbraw/zinc/55/88/25/699558825.db2.gz RMHWEYOMSQJTBR-UHFFFAOYSA-N -1 3 317.257 1.151 20 5 DDBDHM O=[N+]([O-])c1ccc2nc(N3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738366071 699757724 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CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000610453416 360440904 /nfs/dbraw/zinc/44/09/04/360440904.db2.gz FXALUVMTLFIGHL-UHFFFAOYSA-N -1 3 304.262 1.741 20 5 DDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000360543146 306984548 /nfs/dbraw/zinc/98/45/48/306984548.db2.gz MHNQJJGRRVVVAO-UHFFFAOYSA-N -1 3 310.339 1.730 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000273722434 211005411 /nfs/dbraw/zinc/00/54/11/211005411.db2.gz RXJOFEFIXANQOQ-ZDUSSCGKSA-N -1 3 316.379 1.685 20 5 DDBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncnn2C)cc1SC ZINC000268591948 206819380 /nfs/dbraw/zinc/81/93/80/206819380.db2.gz SLIKVNHZOIHTHC-UHFFFAOYSA-N -1 3 323.334 1.706 20 5 DDBDHM Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)[n-]c(=O)n1 ZINC000340696830 251167870 /nfs/dbraw/zinc/16/78/70/251167870.db2.gz OGKOJJRKLYGLPT-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC(C)(F)C1 ZINC000451633261 533144650 /nfs/dbraw/zinc/14/46/50/533144650.db2.gz QVDXLTKZXANEES-UHFFFAOYSA-N -1 3 318.326 1.772 20 5 DDBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120746058 195228713 /nfs/dbraw/zinc/22/87/13/195228713.db2.gz GHZGPAFIFWBTPW-IUCAKERBSA-N -1 3 320.342 1.419 20 5 DDBDHM O=c1nc([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000289571824 221076745 /nfs/dbraw/zinc/07/67/45/221076745.db2.gz YMHWMZQSQUHUHU-GFCCVEGCSA-N -1 3 317.349 1.428 20 5 DDBDHM C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2c([O-])cccc21 ZINC000331869837 533599987 /nfs/dbraw/zinc/59/99/87/533599987.db2.gz APOWMONNKSDHGK-VIFPVBQESA-N -1 3 317.305 1.432 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C ZINC000032474088 406948043 /nfs/dbraw/zinc/94/80/43/406948043.db2.gz JHRMHNHXHZYXDK-BDAKNGLRSA-N -1 3 300.336 1.538 20 5 DDBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000101577443 407311880 /nfs/dbraw/zinc/31/18/80/407311880.db2.gz KMODBSAUHGMVIG-MRVPVSSYSA-N -1 3 322.770 1.952 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000124468803 407359250 /nfs/dbraw/zinc/35/92/50/407359250.db2.gz YGPDYRSSZPGQRI-RQJHMYQMSA-N -1 3 308.381 1.260 20 5 DDBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000180570063 407900468 /nfs/dbraw/zinc/90/04/68/407900468.db2.gz PUSGKUAWHWOZIP-UHFFFAOYSA-N -1 3 306.253 1.347 20 5 DDBDHM C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C ZINC000175107191 408051251 /nfs/dbraw/zinc/05/12/51/408051251.db2.gz GQGOQIBQZIHIGV-ZYHUDNBSSA-N -1 3 307.350 1.855 20 5 DDBDHM CCCCCN1CC(=O)N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000182316611 408124770 /nfs/dbraw/zinc/12/47/70/408124770.db2.gz PVTQFFPQVVDZAQ-OAHLLOKOSA-N -1 3 323.349 1.930 20 5 DDBDHM CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182003693 408061506 /nfs/dbraw/zinc/06/15/06/408061506.db2.gz FMXRBAVFNQSMAP-GFCCVEGCSA-N -1 3 307.350 1.905 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000264426628 408487513 /nfs/dbraw/zinc/48/75/13/408487513.db2.gz YJNNFEYCPQKWFU-SECBINFHSA-N -1 3 316.335 1.061 20 5 DDBDHM CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276248965 408827530 /nfs/dbraw/zinc/82/75/30/408827530.db2.gz RNXAISHRSYEKED-UHFFFAOYSA-N -1 3 316.335 1.460 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000293699809 409163705 /nfs/dbraw/zinc/16/37/05/409163705.db2.gz CPWWBTQVYHXTJU-NSHDSACASA-N -1 3 320.342 1.562 20 5 DDBDHM CSc1nnc(NC(=O)CNc2ccccc2[N+](=O)[O-])[n-]1 ZINC000354760955 410066377 /nfs/dbraw/zinc/06/63/77/410066377.db2.gz KCDPKRKUASKNLZ-UHFFFAOYSA-N -1 3 308.323 1.485 20 5 DDBDHM CSc1n[n-]c(NC(=O)CNc2ccccc2[N+](=O)[O-])n1 ZINC000354760955 410066381 /nfs/dbraw/zinc/06/63/81/410066381.db2.gz KCDPKRKUASKNLZ-UHFFFAOYSA-N -1 3 308.323 1.485 20 5 DDBDHM CSc1nc(NC(=O)CNc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000354760955 410066389 /nfs/dbraw/zinc/06/63/89/410066389.db2.gz KCDPKRKUASKNLZ-UHFFFAOYSA-N -1 3 308.323 1.485 20 5 DDBDHM CCCN1CCC[C@@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343633407 410582757 /nfs/dbraw/zinc/58/27/57/410582757.db2.gz FETLECKRWQKSDF-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330607530 410823722 /nfs/dbraw/zinc/82/37/22/410823722.db2.gz PFTOIKQTJBQXKI-GHMZBOCLSA-N -1 3 314.363 1.749 20 5 DDBDHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000359947266 410967315 /nfs/dbraw/zinc/96/73/15/410967315.db2.gz ZSPUINYWDHOQSN-LLVKDONJSA-N -1 3 313.379 1.276 20 5 DDBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416606414 225001216 /nfs/dbraw/zinc/00/12/16/225001216.db2.gz NSQSHXLLFRHRKU-GMTAPVOTSA-N -1 3 314.363 1.687 20 5 DDBDHM Cc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000193967262 418537934 /nfs/dbraw/zinc/53/79/34/418537934.db2.gz VOTMFJTWKHRSEZ-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)c1C ZINC000361852660 418718072 /nfs/dbraw/zinc/71/80/72/418718072.db2.gz WQGCUSSASJABPJ-UHFFFAOYSA-N -1 3 324.318 1.508 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000432324200 229095585 /nfs/dbraw/zinc/09/55/85/229095585.db2.gz GBHHQISBCJIXHD-MNOVXSKESA-N -1 3 314.363 1.607 20 5 DDBDHM COc1cc(CNc2cc(C)c(C)nn2)c([N+](=O)[O-])cc1[O-] ZINC000432416676 420244121 /nfs/dbraw/zinc/24/41/21/420244121.db2.gz RRUUOYUWUPGBHT-UHFFFAOYSA-N -1 3 304.306 2.328 20 5 DDBDHM CC[C@H](C)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000420704135 420362909 /nfs/dbraw/zinc/36/29/09/420362909.db2.gz IKOQFSJQCCOLKG-VIFPVBQESA-N -1 3 302.352 1.928 20 5 DDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1CCC1)OCCO2 ZINC000416507260 420401328 /nfs/dbraw/zinc/40/13/28/420401328.db2.gz MTKQZZRHQLDEHC-UHFFFAOYSA-N -1 3 314.319 1.197 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCC2)cc1[N+](=O)[O-] ZINC000416507460 420400218 /nfs/dbraw/zinc/40/02/18/420400218.db2.gz NUGXZAZDGAIDSQ-UHFFFAOYSA-N -1 3 304.299 1.573 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000585360041 422312898 /nfs/dbraw/zinc/31/28/98/422312898.db2.gz CANNQURMSBKHFG-UHFFFAOYSA-N -1 3 308.319 1.172 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](F)C1 ZINC000344892267 272135817 /nfs/dbraw/zinc/13/58/17/272135817.db2.gz DJWMZSRESNQJFH-RKDXNWHRSA-N -1 3 318.326 1.772 20 5 DDBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000128246427 281304883 /nfs/dbraw/zinc/30/48/83/281304883.db2.gz KRMVYOYBMDPQSD-GHMZBOCLSA-N -1 3 318.326 1.580 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000362972520 300191357 /nfs/dbraw/zinc/19/13/57/300191357.db2.gz NKOWZPFAKGOAAN-GDGBQDQQSA-N -1 3 300.311 1.811 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@H](C)C1 ZINC000271230323 302048903 /nfs/dbraw/zinc/04/89/03/302048903.db2.gz IQTZYZPBPJEOTN-GHMZBOCLSA-N -1 3 314.363 1.749 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000513071807 302731519 /nfs/dbraw/zinc/73/15/19/302731519.db2.gz VMWVEKMKKWHHFX-XYPYZODXSA-N -1 3 314.363 1.485 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783611 303428440 /nfs/dbraw/zinc/42/84/40/303428440.db2.gz IQHDURVEPVUCAQ-VIFPVBQESA-N -1 3 323.284 1.367 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O ZINC000052003581 304810139 /nfs/dbraw/zinc/81/01/39/304810139.db2.gz ZNFYTOZEVJJZGI-ONGXEEELSA-N -1 3 300.336 1.177 20 5 DDBDHM Cc1cc(CS(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])on1 ZINC000362595922 307021523 /nfs/dbraw/zinc/02/15/23/307021523.db2.gz IFMIOASCFJSNRV-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000569868470 308152213 /nfs/dbraw/zinc/15/22/13/308152213.db2.gz DXPCQFNTZLNJOC-WCQYABFASA-N -1 3 324.333 1.538 20 5 DDBDHM CO[C@H]1C[C@H](CC(=O)[O-])N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000577380669 308383995 /nfs/dbraw/zinc/38/39/95/308383995.db2.gz HKRJPBMGDURUQF-OCCSQVGLSA-N -1 3 324.333 1.538 20 5 DDBDHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295305887 527805220 /nfs/dbraw/zinc/80/52/20/527805220.db2.gz ONAHDUNBDGFFAO-NSHDSACASA-N -1 3 318.326 1.580 20 5 DDBDHM C[C@@H](O)C[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736142570 598972558 /nfs/dbraw/zinc/97/25/58/598972558.db2.gz FKEWGAMBRFVODI-DTWKUNHWSA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@@H](O)C[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736142570 598972560 /nfs/dbraw/zinc/97/25/60/598972560.db2.gz FKEWGAMBRFVODI-DTWKUNHWSA-N -1 3 306.326 1.594 20 5 DDBDHM COC(=O)[C@H](C)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736892860 599063739 /nfs/dbraw/zinc/06/37/39/599063739.db2.gz PLRVYUDNDLLMMM-SSDOTTSWSA-N -1 3 323.334 1.676 20 5 DDBDHM COC(=O)[C@H](C)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736892860 599063742 /nfs/dbraw/zinc/06/37/42/599063742.db2.gz PLRVYUDNDLLMMM-SSDOTTSWSA-N -1 3 323.334 1.676 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cscn1 ZINC000738358602 599351431 /nfs/dbraw/zinc/35/14/31/599351431.db2.gz NKBQBUBSMXRSGW-UHFFFAOYSA-N -1 3 317.334 1.886 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1cscn1 ZINC000738358602 599351432 /nfs/dbraw/zinc/35/14/32/599351432.db2.gz NKBQBUBSMXRSGW-UHFFFAOYSA-N -1 3 317.334 1.886 20 5 DDBDHM CNc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000736885684 598499129 /nfs/dbraw/zinc/49/91/29/598499129.db2.gz AKDACBULTSEULL-UHFFFAOYSA-N -1 3 313.281 1.350 20 5 DDBDHM CNc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736885684 598499130 /nfs/dbraw/zinc/49/91/30/598499130.db2.gz AKDACBULTSEULL-UHFFFAOYSA-N -1 3 313.281 1.350 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737498523 598645928 /nfs/dbraw/zinc/64/59/28/598645928.db2.gz IAQCCOJDGNHOIF-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737498523 598645930 /nfs/dbraw/zinc/64/59/30/598645930.db2.gz IAQCCOJDGNHOIF-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM C[C@@H]1C[C@@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736230831 599323228 /nfs/dbraw/zinc/32/32/28/599323228.db2.gz VXDAAZVYBKUJRM-RKDXNWHRSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@@H]1C[C@@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736230831 599323231 /nfs/dbraw/zinc/32/32/31/599323231.db2.gz VXDAAZVYBKUJRM-RKDXNWHRSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@H](O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824698970 607738016 /nfs/dbraw/zinc/73/80/16/607738016.db2.gz OWHWHPATZMQMRW-UWVGGRQHSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@H](O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824698970 607738017 /nfs/dbraw/zinc/73/80/17/607738017.db2.gz OWHWHPATZMQMRW-UWVGGRQHSA-N -1 3 318.337 1.515 20 5 DDBDHM CSC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821962831 606645650 /nfs/dbraw/zinc/64/56/50/606645650.db2.gz XIOAHMJTVDEOJL-VIFPVBQESA-N -1 3 324.366 1.301 20 5 DDBDHM COC(=O)CCCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821661600 606729468 /nfs/dbraw/zinc/72/94/68/606729468.db2.gz PTTCXEUYNHFXGP-UHFFFAOYSA-N -1 3 323.334 1.820 20 5 DDBDHM COC(=O)CCCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821661600 606729469 /nfs/dbraw/zinc/72/94/69/606729469.db2.gz PTTCXEUYNHFXGP-UHFFFAOYSA-N -1 3 323.334 1.820 20 5 DDBDHM C[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCS1 ZINC000820623396 606946230 /nfs/dbraw/zinc/94/62/30/606946230.db2.gz ONBRSBJQRNOMLU-LBPRGKRZSA-N -1 3 321.366 1.868 20 5 DDBDHM C[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCS1 ZINC000820623396 606946231 /nfs/dbraw/zinc/94/62/31/606946231.db2.gz ONBRSBJQRNOMLU-LBPRGKRZSA-N -1 3 321.366 1.868 20 5 DDBDHM CN(Cn1nccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826004454 607848494 /nfs/dbraw/zinc/84/84/94/607848494.db2.gz YSSOOOCWZUJEMA-UHFFFAOYSA-N -1 3 318.272 1.204 20 5 DDBDHM CC(C)(O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824171484 608192588 /nfs/dbraw/zinc/19/25/88/608192588.db2.gz AEJWWGATRMTUJT-LBPRGKRZSA-N -1 3 318.337 1.515 20 5 DDBDHM CC(C)(O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824171484 608192590 /nfs/dbraw/zinc/19/25/90/608192590.db2.gz AEJWWGATRMTUJT-LBPRGKRZSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824843587 608304529 /nfs/dbraw/zinc/30/45/29/608304529.db2.gz HGLJHOIQGHQVTB-ZDUSSCGKSA-N -1 3 304.310 1.126 20 5 DDBDHM C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824843587 608304531 /nfs/dbraw/zinc/30/45/31/608304531.db2.gz HGLJHOIQGHQVTB-ZDUSSCGKSA-N -1 3 304.310 1.126 20 5 DDBDHM Cc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826334652 609535947 /nfs/dbraw/zinc/53/59/47/609535947.db2.gz DDMLBGHUVMNDBG-UHFFFAOYSA-N -1 3 314.309 1.374 20 5 DDBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])NCC(F)(F)F ZINC000804357533 701181596 /nfs/dbraw/zinc/18/15/96/701181596.db2.gz IVNYWXYMSOJVDK-UHFFFAOYSA-N -1 3 322.199 1.593 20 5 DDBDHM C[C@]1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(F)F ZINC000849459981 703650896 /nfs/dbraw/zinc/65/08/96/703650896.db2.gz BXVZCPJFIGWTSJ-MRVPVSSYSA-N -1 3 312.319 1.980 20 5 DDBDHM CC(C)(C)c1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1N ZINC000853448846 704241253 /nfs/dbraw/zinc/24/12/53/704241253.db2.gz LLFHOAYVFZCGCH-UHFFFAOYSA-N -1 3 310.339 1.449 20 5 DDBDHM CC(C)Oc1cc(C(=O)[N-]N2CCOC2=O)ccc1[N+](=O)[O-] ZINC000862705256 705780878 /nfs/dbraw/zinc/78/08/78/705780878.db2.gz PSHWMNQYLLYRAK-UHFFFAOYSA-N -1 3 309.278 1.479 20 5 DDBDHM Cc1nc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC000826325902 705791007 /nfs/dbraw/zinc/79/10/07/705791007.db2.gz QALDFDGBCKQLOA-UHFFFAOYSA-N -1 3 316.281 1.103 20 5 DDBDHM Cc1nc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC000826325902 705791009 /nfs/dbraw/zinc/79/10/09/705791009.db2.gz QALDFDGBCKQLOA-UHFFFAOYSA-N -1 3 316.281 1.103 20 5 DDBDHM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000882764434 707779703 /nfs/dbraw/zinc/77/97/03/707779703.db2.gz UZQHKVONTNZLML-SECBINFHSA-N -1 3 319.408 1.337 20 5 DDBDHM CO[C@]1(C(=O)[O-])CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000901542087 710070451 /nfs/dbraw/zinc/07/04/51/710070451.db2.gz NBIGIEQGWMXEOU-OAHLLOKOSA-N -1 3 308.334 1.887 20 5 DDBDHM Cc1nc2c(c(=O)[n-]1)CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000931317903 714065031 /nfs/dbraw/zinc/06/50/31/714065031.db2.gz INCKUEXYHIFNTF-UHFFFAOYSA-N -1 3 300.318 1.957 20 5 DDBDHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000923274473 714293543 /nfs/dbraw/zinc/29/35/43/714293543.db2.gz NOZCNCASXPGFGG-NWDGAFQWSA-N -1 3 305.334 1.609 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])s1 ZINC001211592216 735102610 /nfs/dbraw/zinc/10/26/10/735102610.db2.gz OWZBHBKPYWZBDK-BDAKNGLRSA-N -1 3 320.392 1.402 20 5 DDBDHM O=C(CC1CC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059552888 741276420 /nfs/dbraw/zinc/27/64/20/741276420.db2.gz XKQXSOOYQRCBNL-AOOOYVTPSA-N -1 3 306.322 1.555 20 5 DDBDHM COc1cc(CNCc2nnc(C(C)C)[nH]2)c([N+](=O)[O-])cc1[O-] ZINC001202554175 749394789 /nfs/dbraw/zinc/39/47/89/749394789.db2.gz BKGSUQNEPVQTAK-UHFFFAOYSA-N -1 3 321.337 1.840 20 5 DDBDHM C/C=C(/C)C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095406932 749726065 /nfs/dbraw/zinc/72/60/65/749726065.db2.gz ZMXRNRMAGYTLCL-KMKOMSMNSA-N -1 3 320.349 1.747 20 5 DDBDHM CCOCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111747382 750477706 /nfs/dbraw/zinc/47/77/06/750477706.db2.gz ZUCCNJVZUXXUTE-UHFFFAOYSA-N -1 3 324.337 1.183 20 5 DDBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964499 762157626 /nfs/dbraw/zinc/15/76/26/762157626.db2.gz UHGUTQZQPGWAIO-RITPCOANSA-N -1 3 311.323 1.001 20 5 DDBDHM CCc1[nH]ccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093603142 774907312 /nfs/dbraw/zinc/90/73/12/774907312.db2.gz QBZZDHFIAGCCTI-UHFFFAOYSA-N -1 3 319.321 1.428 20 5 DDBDHM CN(CCNC(=O)CCC1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100016671 775575509 /nfs/dbraw/zinc/57/55/09/775575509.db2.gz QVTRFCMLBUBZEY-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1[O-] ZINC001101520199 777204198 /nfs/dbraw/zinc/20/41/98/777204198.db2.gz NXKDAQOKBDOLLG-UHFFFAOYSA-N -1 3 316.317 1.880 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C/C1CC1 ZINC001101550166 777239724 /nfs/dbraw/zinc/23/97/24/777239724.db2.gz VWIQZDZXACXRTF-SNAWJCMRSA-N -1 3 306.322 1.532 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC001118932915 781276581 /nfs/dbraw/zinc/27/65/81/781276581.db2.gz FGBIWDHZFPMOLY-QMMMGPOBSA-N -1 3 306.365 1.280 20 5 DDBDHM C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC001119532547 781498298 /nfs/dbraw/zinc/49/82/98/781498298.db2.gz ZEGMZUPUNPOQBJ-SCSAIBSYSA-N -1 3 309.141 1.982 20 5 DDBDHM O=c1[n-]ccc(N2CCC[C@@H](c3ccncn3)C2)c1[N+](=O)[O-] ZINC001162216662 867348054 /nfs/dbraw/zinc/34/80/54/867348054.db2.gz XRDZBSSTZZIVCY-SNVBAGLBSA-N -1 3 301.306 1.869 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301560777 871001475 /nfs/dbraw/zinc/00/14/75/871001475.db2.gz GLRZVBOVNNAKEB-JTQLQIEISA-N -1 3 304.306 1.145 20 5 DDBDHM O=C([N-]c1nnc2ccc(Cl)nn21)c1ccc([N+](=O)[O-])s1 ZINC001317757599 871469767 /nfs/dbraw/zinc/46/97/67/871469767.db2.gz ZFZBCRHBOPXISY-UHFFFAOYSA-N -1 3 324.709 2.000 20 5 DDBDHM CC(=O)C1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001309569373 871580089 /nfs/dbraw/zinc/58/00/89/871580089.db2.gz AGRWQBYIGJPMMS-UHFFFAOYSA-N -1 3 316.310 1.442 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001216794628 877056876 /nfs/dbraw/zinc/05/68/76/877056876.db2.gz CKBSNPKDXLLTFM-SNVBAGLBSA-N -1 3 319.321 1.537 20 5 DDBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCCc2c(=O)[n-]cnc21 ZINC001288089066 912728736 /nfs/dbraw/zinc/72/87/36/912728736.db2.gz YBAQTOMOPLYRFG-UHFFFAOYSA-N -1 3 300.274 1.683 20 5 DDBDHM O=c1[n-]ccc(NC[C@@H]2CC3(CO2)CCOCC3)c1[N+](=O)[O-] ZINC001307191848 915741984 /nfs/dbraw/zinc/74/19/84/915741984.db2.gz WIUWNKJHIYONSX-JTQLQIEISA-N -1 3 309.322 1.693 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000451623322 231142362 /nfs/dbraw/zinc/14/23/62/231142362.db2.gz JLLZVVKKHDMDFS-JTQLQIEISA-N -1 3 316.379 1.590 20 5 DDBDHM CN(CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000299442664 529917473 /nfs/dbraw/zinc/91/74/73/529917473.db2.gz XHDHZOJLXITWIN-UHFFFAOYSA-N -1 3 317.342 1.106 20 5 DDBDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000490313313 234004397 /nfs/dbraw/zinc/00/43/97/234004397.db2.gz BQWXMXMUBGSUHD-UHFFFAOYSA-N -1 3 302.352 1.546 20 5 DDBDHM COCC(C)(C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000066936495 353026776 /nfs/dbraw/zinc/02/67/76/353026776.db2.gz UFIZBTYRXWBKTN-UHFFFAOYSA-N -1 3 318.351 1.307 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000160317996 354238389 /nfs/dbraw/zinc/23/83/89/354238389.db2.gz PTAIDBSFAXNUOX-GFCCVEGCSA-N -1 3 302.352 1.343 20 5 DDBDHM COCCN1CCC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000565039350 304039178 /nfs/dbraw/zinc/03/91/78/304039178.db2.gz YLIZESLZNRTWAD-UHFFFAOYSA-N -1 3 324.337 1.211 20 5 DDBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574723 355931297 /nfs/dbraw/zinc/93/12/97/355931297.db2.gz WGDRPCRLQDXKSZ-ONGXEEELSA-N -1 3 315.351 1.083 20 5 DDBDHM C[C@]12COC[C@@H]1CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000594734070 356300705 /nfs/dbraw/zinc/30/07/05/356300705.db2.gz NRNBRGGLTVAJOK-WFASDCNBSA-N -1 3 306.318 1.761 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])on1 ZINC000184277131 199696787 /nfs/dbraw/zinc/69/67/87/199696787.db2.gz BKSHKIXYAPGHIV-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCOCC1 ZINC000596066581 356759355 /nfs/dbraw/zinc/75/93/55/356759355.db2.gz GNFIFLIJFYVVGO-LBPRGKRZSA-N -1 3 310.354 1.464 20 5 DDBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(CC)C1 ZINC000598039624 357438426 /nfs/dbraw/zinc/43/84/26/357438426.db2.gz LBPRZYKGDZRKCZ-LBPRGKRZSA-N -1 3 307.350 1.857 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H](C)O[C@H]1C ZINC000601498636 358575764 /nfs/dbraw/zinc/57/57/64/358575764.db2.gz BCNUBLMWJCPWQB-GARJFASQSA-N -1 3 314.363 1.747 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000603422119 359630316 /nfs/dbraw/zinc/63/03/16/359630316.db2.gz CQTICMRDXWXFDS-ZCFIWIBFSA-N -1 3 310.278 1.535 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000610005470 360372208 /nfs/dbraw/zinc/37/22/08/360372208.db2.gz SQYHGIQDTBDQCZ-UHFFFAOYSA-N -1 3 310.335 1.413 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000610005470 360372214 /nfs/dbraw/zinc/37/22/14/360372214.db2.gz SQYHGIQDTBDQCZ-UHFFFAOYSA-N -1 3 310.335 1.413 20 5 DDBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000610266655 360403969 /nfs/dbraw/zinc/40/39/69/360403969.db2.gz NAZOXROCUDRHHJ-NSHDSACASA-N -1 3 320.342 1.683 20 5 DDBDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000292702671 223209547 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DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)O ZINC000339070693 250280598 /nfs/dbraw/zinc/28/05/98/250280598.db2.gz OALYZAOCOAWABI-VIFPVBQESA-N -1 3 322.408 1.793 20 5 DDBDHM C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000159398335 197350294 /nfs/dbraw/zinc/35/02/94/197350294.db2.gz UFAJVUMQYURDRE-WDEREUQCSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CCOC2)cc1C ZINC000158562113 197283379 /nfs/dbraw/zinc/28/33/79/197283379.db2.gz VOGNPEQJNJEBKS-ZDUSSCGKSA-N -1 3 314.363 1.669 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)C2CC2)c(F)c1 ZINC000352563826 285144322 /nfs/dbraw/zinc/14/43/22/285144322.db2.gz AGLVCJJPKSJPAC-VIFPVBQESA-N -1 3 318.326 1.031 20 5 DDBDHM COCCN1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352591075 285161545 /nfs/dbraw/zinc/16/15/45/285161545.db2.gz RZAVKOJMCMLNER-LLVKDONJSA-N -1 3 323.349 1.141 20 5 DDBDHM CC[C@@H](O)CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000156792598 197141481 /nfs/dbraw/zinc/14/14/81/197141481.db2.gz XLINLIPZXKBLTF-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C(C)C)c1C ZINC000120581508 195194973 /nfs/dbraw/zinc/19/49/73/195194973.db2.gz WRLKUMXGSRRCCJ-LBPRGKRZSA-N -1 3 316.379 1.507 20 5 DDBDHM CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187624654 285273227 /nfs/dbraw/zinc/27/32/27/285273227.db2.gz RQJMCFWQHMFEIY-LBPRGKRZSA-N -1 3 307.350 1.857 20 5 DDBDHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000122030202 195391821 /nfs/dbraw/zinc/39/18/21/195391821.db2.gz HRSSRQLWRBSRFD-NSHDSACASA-N -1 3 302.352 1.280 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCO)C(C)C ZINC000122565495 195468896 /nfs/dbraw/zinc/46/88/96/195468896.db2.gz XCWRBBAROYRFHR-NSHDSACASA-N -1 3 316.379 1.589 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000171541681 296499660 /nfs/dbraw/zinc/49/96/60/296499660.db2.gz ZKLIQIACBXCEMC-SECBINFHSA-N -1 3 320.754 1.706 20 5 DDBDHM COCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000048840293 407108276 /nfs/dbraw/zinc/10/82/76/407108276.db2.gz PHPVVTMCVOERFF-UHFFFAOYSA-N -1 3 302.352 1.526 20 5 DDBDHM C[C@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000086629643 407114154 /nfs/dbraw/zinc/11/41/54/407114154.db2.gz CSSNLGJSNHGBDP-ZETCQYMHSA-N -1 3 308.743 1.155 20 5 DDBDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000087040590 407115994 /nfs/dbraw/zinc/11/59/94/407115994.db2.gz LYPZYUDGLMQSQI-LBPRGKRZSA-N -1 3 318.351 1.043 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1nccs1 ZINC000051163101 407137436 /nfs/dbraw/zinc/13/74/36/407137436.db2.gz CWAIGRIQPRDVMG-UHFFFAOYSA-N -1 3 313.360 1.572 20 5 DDBDHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126167393 407407232 /nfs/dbraw/zinc/40/72/32/407407232.db2.gz FJWGLWRUJANCHT-MRVPVSSYSA-N -1 3 308.743 1.297 20 5 DDBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)COC1 ZINC000112708499 407436767 /nfs/dbraw/zinc/43/67/67/407436767.db2.gz MOHNPDDAXQAFEP-UHFFFAOYSA-N -1 3 304.299 1.049 20 5 DDBDHM CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000188019430 407913297 /nfs/dbraw/zinc/91/32/97/407913297.db2.gz IUXAYNOREIBQIP-MFKMUULPSA-N -1 3 307.350 1.759 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(CO)c1 ZINC000171509373 162221960 /nfs/dbraw/zinc/22/19/60/162221960.db2.gz XKHNQWVYOUDFTD-UHFFFAOYSA-N -1 3 322.342 1.566 20 5 DDBDHM CC(C)N1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277760508 409007161 /nfs/dbraw/zinc/00/71/61/409007161.db2.gz RFRUZDDHZUDSJB-UHFFFAOYSA-N -1 3 308.338 1.252 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000342351351 409585747 /nfs/dbraw/zinc/58/57/47/409585747.db2.gz WSQKKNIVLYZBIC-LLVKDONJSA-N -1 3 313.379 1.276 20 5 DDBDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342523373 409697349 /nfs/dbraw/zinc/69/73/49/409697349.db2.gz IKMZZXHFAAWFOG-SECBINFHSA-N -1 3 322.408 1.794 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccno1 ZINC000349494143 409851496 /nfs/dbraw/zinc/85/14/96/409851496.db2.gz GHQYJSLMIPDDSM-UHFFFAOYSA-N -1 3 317.710 1.715 20 5 DDBDHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000352977670 410713245 /nfs/dbraw/zinc/71/32/45/410713245.db2.gz PXXZLKBQAOYHIG-UHFFFAOYSA-N -1 3 316.379 1.997 20 5 DDBDHM CCOC(=O)c1ccnc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC000359901721 410943572 /nfs/dbraw/zinc/94/35/72/410943572.db2.gz OYRKPDKUXPXDEX-UHFFFAOYSA-N -1 3 318.289 1.879 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000337812993 411015660 /nfs/dbraw/zinc/01/56/60/411015660.db2.gz OYQXRUZUGMMSBI-LLVKDONJSA-N -1 3 324.362 1.467 20 5 DDBDHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337850907 411034283 /nfs/dbraw/zinc/03/42/83/411034283.db2.gz ROCLOVKRBDTKKI-UHFFFAOYSA-N -1 3 316.335 1.133 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](CO)c2ccccc21 ZINC000353768120 411126352 /nfs/dbraw/zinc/12/63/52/411126352.db2.gz RTIGCFWIIHKPFG-JTQLQIEISA-N -1 3 315.285 1.432 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000133005774 196303723 /nfs/dbraw/zinc/30/37/23/196303723.db2.gz SZEYBOYKFLIFGC-SNVBAGLBSA-N -1 3 314.363 1.688 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000416669663 225027320 /nfs/dbraw/zinc/02/73/20/225027320.db2.gz SBTZYPYPZJCUQD-WKFQBHICSA-N -1 3 306.365 1.156 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c1C ZINC000360365456 418418081 /nfs/dbraw/zinc/41/80/81/418418081.db2.gz XPLWUEFATFOGJI-IAZYJMLFSA-N -1 3 312.347 1.135 20 5 DDBDHM COC1([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])CCOCC1 ZINC000421027541 419455777 /nfs/dbraw/zinc/45/57/77/419455777.db2.gz GOVOBTPYMVIALA-NSHDSACASA-N -1 3 310.350 1.974 20 5 DDBDHM CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000457046315 420595830 /nfs/dbraw/zinc/59/58/30/420595830.db2.gz BRJDSASGUXGRRF-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCn2ccnc2C1 ZINC000492196056 421212583 /nfs/dbraw/zinc/21/25/83/421212583.db2.gz YDPKRNQEDBIZSK-JTQLQIEISA-N -1 3 322.346 1.085 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000545934663 421273723 /nfs/dbraw/zinc/27/37/23/421273723.db2.gz LDQNFHAFWQZYND-UHFFFAOYSA-N -1 3 306.365 1.422 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532450559 421660441 /nfs/dbraw/zinc/66/04/41/421660441.db2.gz TURZDYWCDFMGQA-UHFFFAOYSA-N -1 3 320.754 1.706 20 5 DDBDHM O=c1[n-]ccc(NCCCc2nnc3n2CCCC3)c1[N+](=O)[O-] ZINC000596180736 422369115 /nfs/dbraw/zinc/36/91/15/422369115.db2.gz SVKISRVLHPOXHE-UHFFFAOYSA-N -1 3 318.337 1.668 20 5 DDBDHM Cc1cc(C(=O)[N-]c2nn3cnnc3s2)ccc1[N+](=O)[O-] ZINC000603467398 422453072 /nfs/dbraw/zinc/45/30/72/422453072.db2.gz AWNHQNJXMNZBAD-UHFFFAOYSA-N -1 3 304.291 1.655 20 5 DDBDHM Cc1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]c1C(F)(F)F ZINC000611335062 422477837 /nfs/dbraw/zinc/47/78/37/422477837.db2.gz YYKQYDVFMRVEKP-UHFFFAOYSA-N -1 3 318.215 1.631 20 5 DDBDHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000085990614 281015159 /nfs/dbraw/zinc/01/51/59/281015159.db2.gz VDBPGOYZPINFSY-SSDOTTSWSA-N -1 3 308.743 1.297 20 5 DDBDHM C[C@@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130405628 281380039 /nfs/dbraw/zinc/38/00/39/281380039.db2.gz UMJDNMAKHKFSNU-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000451947355 297443745 /nfs/dbraw/zinc/44/37/45/297443745.db2.gz PGMUZUJDMBEFFU-ZJUUUORDSA-N -1 3 322.346 1.776 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000521618825 302877491 /nfs/dbraw/zinc/87/74/91/302877491.db2.gz WSBXSCOHESGLEZ-UHFFFAOYSA-N -1 3 318.326 1.774 20 5 DDBDHM COCc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000361894174 307010562 /nfs/dbraw/zinc/01/05/62/307010562.db2.gz UKYPZYIOHNRAJN-UHFFFAOYSA-N -1 3 310.291 1.551 20 5 DDBDHM Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375968849 307236884 /nfs/dbraw/zinc/23/68/84/307236884.db2.gz LLUHGWSSQJIINS-NWDGAFQWSA-N -1 3 321.333 1.787 20 5 DDBDHM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000565035712 308017457 /nfs/dbraw/zinc/01/74/57/308017457.db2.gz OSVYBCJZUDBEJN-SNVBAGLBSA-N -1 3 320.349 1.609 20 5 DDBDHM O=C([O-])[C@H](C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000568759444 308129003 /nfs/dbraw/zinc/12/90/03/308129003.db2.gz ZKYMTGIYELGZJJ-AWEZNQCLSA-N -1 3 305.334 1.580 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)O ZINC000386791904 325762286 /nfs/dbraw/zinc/76/22/86/325762286.db2.gz AHUHPPDAHVVRPP-VXNVDRBHSA-N -1 3 322.770 1.686 20 5 DDBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]c1C(C)C ZINC000592950316 483929156 /nfs/dbraw/zinc/92/91/56/483929156.db2.gz SFBCPFJGDUKBDP-UHFFFAOYSA-N -1 3 305.294 2.103 20 5 DDBDHM COC(=O)c1ccc(OCc2cc(=O)c([O-])co2)c([N+](=O)[O-])c1 ZINC000341927706 490742180 /nfs/dbraw/zinc/74/21/80/490742180.db2.gz DRJFQOFOFJDZSL-UHFFFAOYSA-N -1 3 321.241 1.619 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000492149982 534211554 /nfs/dbraw/zinc/21/15/54/534211554.db2.gz HIIKTURUVNDVLL-RYUDHWBXSA-N -1 3 314.363 1.341 20 5 DDBDHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451958834 529133671 /nfs/dbraw/zinc/13/36/71/529133671.db2.gz AAJSNMZORGYTJF-NSHDSACASA-N -1 3 318.326 1.437 20 5 DDBDHM CN(Cc1cccs1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821615863 599209819 /nfs/dbraw/zinc/20/98/19/599209819.db2.gz RRHKEEQUIDEFHT-UHFFFAOYSA-N -1 3 317.334 1.868 20 5 DDBDHM CN(Cc1cccs1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821615863 599209822 /nfs/dbraw/zinc/20/98/22/599209822.db2.gz RRHKEEQUIDEFHT-UHFFFAOYSA-N -1 3 317.334 1.868 20 5 DDBDHM CC(C)[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735709825 599322442 /nfs/dbraw/zinc/32/24/42/599322442.db2.gz SGNOMCBSSLMNIO-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735709825 599322443 /nfs/dbraw/zinc/32/24/43/599322443.db2.gz SGNOMCBSSLMNIO-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CNC(=O)[O-] ZINC000825925598 603708269 /nfs/dbraw/zinc/70/82/69/603708269.db2.gz QDSYCYAZTSFRBO-QWRGUYRKSA-N -1 3 311.342 1.159 20 5 DDBDHM CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820852980 606791731 /nfs/dbraw/zinc/79/17/31/606791731.db2.gz ILZFXTKDMHBYEL-CYBMUJFWSA-N -1 3 306.326 1.738 20 5 DDBDHM CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820852980 606791734 /nfs/dbraw/zinc/79/17/34/606791734.db2.gz ILZFXTKDMHBYEL-CYBMUJFWSA-N -1 3 306.326 1.738 20 5 DDBDHM C[C@@H]1OCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC000820822496 607029589 /nfs/dbraw/zinc/02/95/89/607029589.db2.gz ZFMFAHOMZDATNM-IUCAKERBSA-N -1 3 304.310 1.389 20 5 DDBDHM C[C@@H]1OCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC000820822496 607029590 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20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000533487560 421675531 /nfs/dbraw/zinc/67/55/31/421675531.db2.gz FZDZWLPCJNWZIV-GFCCVEGCSA-N -1 3 318.333 1.074 20 5 DDBDHM C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000578326335 422546657 /nfs/dbraw/zinc/54/66/57/422546657.db2.gz QYDNVYROWHLNTQ-WDEREUQCSA-N -1 3 323.349 1.184 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@H](F)C1 ZINC000344892265 272136072 /nfs/dbraw/zinc/13/60/72/272136072.db2.gz DJWMZSRESNQJFH-IUCAKERBSA-N -1 3 318.326 1.772 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)O)cc1C ZINC000085990968 281015088 /nfs/dbraw/zinc/01/50/88/281015088.db2.gz DCTDZLNDDUFIBX-JTQLQIEISA-N -1 3 302.352 1.261 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCn2ccnc2)cc1C ZINC000126262232 281232555 /nfs/dbraw/zinc/23/25/55/281232555.db2.gz LYNDKRDXBQMLMY-UHFFFAOYSA-N -1 3 324.362 1.387 20 5 DDBDHM COCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130478510 281382746 /nfs/dbraw/zinc/38/27/46/281382746.db2.gz YPAYTRSZLYSJIA-LLVKDONJSA-N -1 3 323.349 1.141 20 5 DDBDHM CN(CC1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132787956 281467147 /nfs/dbraw/zinc/46/71/47/281467147.db2.gz HSOHTPVGVUKDTR-UHFFFAOYSA-N -1 3 307.350 1.714 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])[C@H]2C1 ZINC000272470269 290155725 /nfs/dbraw/zinc/15/57/25/290155725.db2.gz ZDRSLFCZBPTNMA-MFKMUULPSA-N -1 3 305.334 1.467 20 5 DDBDHM C[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000452577972 300197883 /nfs/dbraw/zinc/19/78/83/300197883.db2.gz JGURHPREYOAENY-LLVKDONJSA-N -1 3 319.361 1.857 20 5 DDBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccccn2)cc1 ZINC000550856518 303628116 /nfs/dbraw/zinc/62/81/16/303628116.db2.gz BLBBGADZUFONHE-UHFFFAOYSA-N -1 3 323.330 1.347 20 5 DDBDHM O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000449668723 303898252 /nfs/dbraw/zinc/89/82/52/303898252.db2.gz UKKJXMRGWUZBKD-SNVBAGLBSA-N -1 3 301.249 1.027 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC000377140399 307264233 /nfs/dbraw/zinc/26/42/33/307264233.db2.gz MOEOCZFIDCDDKF-OAHLLOKOSA-N -1 3 321.333 1.647 20 5 DDBDHM COc1cc(CNCc2snnc2C)c([N+](=O)[O-])cc1[O-] ZINC000492077756 533887444 /nfs/dbraw/zinc/88/74/44/533887444.db2.gz CLRNTRYXAIPYQV-UHFFFAOYSA-N -1 3 310.335 1.759 20 5 DDBDHM Cc1cc([N-]C(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])on1 ZINC000446061676 533947996 /nfs/dbraw/zinc/94/79/96/533947996.db2.gz LNNMYRCCVVKNNB-UHFFFAOYSA-N -1 3 306.278 1.921 20 5 DDBDHM C[C@H](CN(C)c1nccc2ccc([N+](=O)[O-])cc21)c1nnn[n-]1 ZINC000413223387 534032273 /nfs/dbraw/zinc/03/22/73/534032273.db2.gz CYLYQHHSOFDPFV-SECBINFHSA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@H](CN(C)c1nccc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000413223387 534032277 /nfs/dbraw/zinc/03/22/77/534032277.db2.gz CYLYQHHSOFDPFV-SECBINFHSA-N -1 3 313.321 1.896 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)F ZINC000451085531 529196838 /nfs/dbraw/zinc/19/68/38/529196838.db2.gz SKWWBTIQRCMRHE-MRVPVSSYSA-N -1 3 324.305 1.925 20 5 DDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC000736295741 598757328 /nfs/dbraw/zinc/75/73/28/598757328.db2.gz XHJOUQSIOPBBRK-ZETCQYMHSA-N -1 3 307.339 1.112 20 5 DDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC000736295741 598757330 /nfs/dbraw/zinc/75/73/30/598757330.db2.gz XHJOUQSIOPBBRK-ZETCQYMHSA-N -1 3 307.339 1.112 20 5 DDBDHM C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000828473485 601817565 /nfs/dbraw/zinc/81/75/65/601817565.db2.gz WTFCLYSUCPXFAA-SKDRFNHKSA-N -1 3 304.306 1.555 20 5 DDBDHM O=C([O-])[C@@H]1CC12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000833771882 605005567 /nfs/dbraw/zinc/00/55/67/605005567.db2.gz SWBJWXAHHOFMQU-KBPBESRZSA-N -1 3 320.345 1.815 20 5 DDBDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000832234647 605937626 /nfs/dbraw/zinc/93/76/26/605937626.db2.gz FXTXSNVQDKWANH-YOGCLGLASA-N -1 3 323.353 1.444 20 5 DDBDHM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823635331 606057147 /nfs/dbraw/zinc/05/71/47/606057147.db2.gz VWCZAPDCWZYAPV-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823635331 606057153 /nfs/dbraw/zinc/05/71/53/606057153.db2.gz VWCZAPDCWZYAPV-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM CC(C)(C)[C@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000819906015 606645376 /nfs/dbraw/zinc/64/53/76/606645376.db2.gz AFOIJGORFIJEKE-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM CCO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821369088 606645385 /nfs/dbraw/zinc/64/53/85/606645385.db2.gz WYFDSIWOFBHFAL-LLVKDONJSA-N -1 3 318.337 1.780 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OCC1(O)CCCCC1 ZINC000826497694 607873595 /nfs/dbraw/zinc/87/35/95/607873595.db2.gz QIKZLRASDHEADF-UHFFFAOYSA-N -1 3 319.321 1.849 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OCC1(O)CCCCC1 ZINC000826497694 607873596 /nfs/dbraw/zinc/87/35/96/607873596.db2.gz QIKZLRASDHEADF-UHFFFAOYSA-N -1 3 319.321 1.849 20 5 DDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000824961660 608302513 /nfs/dbraw/zinc/30/25/13/608302513.db2.gz FSPUCWBIKYVLSG-DTWKUNHWSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000824961660 608302515 /nfs/dbraw/zinc/30/25/15/608302515.db2.gz FSPUCWBIKYVLSG-DTWKUNHWSA-N -1 3 303.326 1.652 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OCC1(O)CCCC1 ZINC000826497276 608491152 /nfs/dbraw/zinc/49/11/52/608491152.db2.gz AOZBCKWNUQLTCM-UHFFFAOYSA-N -1 3 305.294 1.459 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OCC1(O)CCCC1 ZINC000826497276 608491154 /nfs/dbraw/zinc/49/11/54/608491154.db2.gz AOZBCKWNUQLTCM-UHFFFAOYSA-N -1 3 305.294 1.459 20 5 DDBDHM Cc1nn(Cc2cccc(-c3nnn[n-]3)c2F)c(C)c1[N+](=O)[O-] ZINC000826334753 608669543 /nfs/dbraw/zinc/66/95/43/608669543.db2.gz IFYUAODCINSALG-UHFFFAOYSA-N -1 3 317.284 1.776 20 5 DDBDHM Cc1nn(Cc2cccc(-c3nn[n-]n3)c2F)c(C)c1[N+](=O)[O-] ZINC000826334753 608669544 /nfs/dbraw/zinc/66/95/44/608669544.db2.gz IFYUAODCINSALG-UHFFFAOYSA-N -1 3 317.284 1.776 20 5 DDBDHM COC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000826145022 609554360 /nfs/dbraw/zinc/55/43/60/609554360.db2.gz XOYGQLQONHNYIO-UHFFFAOYSA-N -1 3 305.298 1.151 20 5 DDBDHM COC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000826145022 609554362 /nfs/dbraw/zinc/55/43/62/609554362.db2.gz XOYGQLQONHNYIO-UHFFFAOYSA-N -1 3 305.298 1.151 20 5 DDBDHM COc1cccc(S([O-])=CC(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851130065 703783222 /nfs/dbraw/zinc/78/32/22/703783222.db2.gz VROHXSOHTTXMCF-OAQYLSRUSA-N -1 3 315.347 1.401 20 5 DDBDHM O=C([O-])[C@H]1CSCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000851706805 703833409 /nfs/dbraw/zinc/83/34/09/703833409.db2.gz ZEUKYOZBLISDGX-VXGBXAGGSA-N -1 3 312.347 1.130 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C=CCC2)c(F)c1 ZINC000882561748 707698355 /nfs/dbraw/zinc/69/83/55/707698355.db2.gz WEEWXCDAFUHVKI-VIFPVBQESA-N -1 3 300.311 1.978 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c(Cl)c1 ZINC000885496531 708559867 /nfs/dbraw/zinc/55/98/67/708559867.db2.gz UHFXNGOJTOMQSI-CPCISQLKSA-N -1 3 318.738 1.315 20 5 DDBDHM CC1(C)CCN(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000890072156 709733332 /nfs/dbraw/zinc/73/33/32/709733332.db2.gz PLYQERJOEONYNF-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM COc1c([O-])ccc(CN2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] ZINC000892053777 710362072 /nfs/dbraw/zinc/36/20/72/710362072.db2.gz JLNMYLFEBSTTJA-UHFFFAOYSA-N -1 3 321.333 1.116 20 5 DDBDHM COc1c([O-])ccc(CN2CC(=O)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000894129046 710978934 /nfs/dbraw/zinc/97/89/34/710978934.db2.gz YTDYMTSGXWUPCK-UHFFFAOYSA-N -1 3 307.306 1.073 20 5 DDBDHM O=C(NCCCc1c[n-][nH]c1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001168406329 744111068 /nfs/dbraw/zinc/11/10/68/744111068.db2.gz ZOSANADJSJNMQU-QMMMGPOBSA-N -1 3 324.724 1.490 20 5 DDBDHM CC(C)=CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107018815 748687635 /nfs/dbraw/zinc/68/76/35/748687635.db2.gz XYYRTKQJJQSOAX-ONEGZZNKSA-N -1 3 306.322 1.746 20 5 DDBDHM NCc1nc(=O)[n-]n1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001168756202 750691296 /nfs/dbraw/zinc/69/12/96/750691296.db2.gz MXYHJEUMSNAGRM-UHFFFAOYSA-N -1 3 312.289 1.402 20 5 DDBDHM O=C(CC1CC1)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057080690 762553032 /nfs/dbraw/zinc/55/30/32/762553032.db2.gz YONVGVGUKNPJHC-UHFFFAOYSA-N -1 3 320.349 1.534 20 5 DDBDHM O=c1nc2[nH]cnc2c(Nc2cc([N+](=O)[O-])c3nccn3c2)[n-]1 ZINC001170231398 766185330 /nfs/dbraw/zinc/18/53/30/766185330.db2.gz AEYNXGLDFCIEQE-UHFFFAOYSA-N -1 3 312.249 1.358 20 5 DDBDHM CCCC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091420902 772741349 /nfs/dbraw/zinc/74/13/49/772741349.db2.gz HRNSLKVBUOCTKM-MGCOHNPYSA-N -1 3 308.338 1.802 20 5 DDBDHM O=C(CCC1CC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094348954 775744411 /nfs/dbraw/zinc/74/44/11/775744411.db2.gz YWKAHKIQJZKRFZ-UHFFFAOYSA-N -1 3 308.338 1.804 20 5 DDBDHM Cc1c[nH]cc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094434443 775858925 /nfs/dbraw/zinc/85/89/25/775858925.db2.gz CCTCDIGYKFDODG-UHFFFAOYSA-N -1 3 319.321 1.564 20 5 DDBDHM CCC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103387976 778836894 /nfs/dbraw/zinc/83/68/94/778836894.db2.gz WLWJSHMEEPGOFN-UHFFFAOYSA-N -1 3 308.338 1.946 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCCCc2c[n-][nH]c2=O)c1C ZINC001149261872 861506640 /nfs/dbraw/zinc/50/66/40/861506640.db2.gz GQOIAPYYOOEEMS-LLVKDONJSA-N -1 3 318.333 1.453 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])[n-]n1 ZINC001153264376 863794822 /nfs/dbraw/zinc/79/48/22/863794822.db2.gz NTCNHWVRTSGSMB-UHFFFAOYSA-N -1 3 322.252 1.886 20 5 DDBDHM C[C@H]1CCN(c2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2C)C1 ZINC001346300831 873692472 /nfs/dbraw/zinc/69/24/72/873692472.db2.gz NJXCOEBTGKPOKT-QMMMGPOBSA-N -1 3 304.310 1.337 20 5 DDBDHM COCCn1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1 ZINC001355004117 878368975 /nfs/dbraw/zinc/36/89/75/878368975.db2.gz LTWVWAGZUINBDJ-UHFFFAOYSA-N -1 3 309.257 1.224 20 5 DDBDHM COC(=O)[C@@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692360 883134199 /nfs/dbraw/zinc/13/41/99/883134199.db2.gz XZJXYQXTUUNTQM-SFYZADRCSA-N -1 3 306.278 1.587 20 5 DDBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000451800737 529500043 /nfs/dbraw/zinc/50/00/43/529500043.db2.gz FDTVLBAQFCJKIN-LBPRGKRZSA-N -1 3 320.342 1.827 20 5 DDBDHM CN(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000139425421 186022546 /nfs/dbraw/zinc/02/25/46/186022546.db2.gz FTELZWTUGKKPBN-UHFFFAOYSA-N -1 3 317.342 1.106 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000030493515 352253935 /nfs/dbraw/zinc/25/39/35/352253935.db2.gz AKYDUSQWZPNZAE-JTQLQIEISA-N -1 3 316.335 1.061 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)Cn1cccn1 ZINC000046034042 352432552 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CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601399539 358536025 /nfs/dbraw/zinc/53/60/25/358536025.db2.gz IIXHYHOVHHMZAF-YUMQZZPRSA-N -1 3 308.381 1.666 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CSC2)cc1C ZINC000603387742 359609018 /nfs/dbraw/zinc/60/90/18/359609018.db2.gz RPHKFPDTLWLSJQ-UHFFFAOYSA-N -1 3 316.404 1.853 20 5 DDBDHM O=C([N-]c1nn2cnnc2s1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609919821 360364587 /nfs/dbraw/zinc/36/45/87/360364587.db2.gz SEQAGEBOPIZLOQ-UHFFFAOYSA-N -1 3 324.709 2.000 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC000611108012 360624237 /nfs/dbraw/zinc/62/42/37/360624237.db2.gz KIHFKMROLJKNOE-JTQLQIEISA-N -1 3 300.336 1.034 20 5 DDBDHM CC(C)(CO)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611272203 360685784 /nfs/dbraw/zinc/68/57/84/360685784.db2.gz ISSSCKNBKDOFKU-UHFFFAOYSA-N -1 3 309.366 1.189 20 5 DDBDHM CCCn1cc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])nn1 ZINC000611226205 360668099 /nfs/dbraw/zinc/66/80/99/360668099.db2.gz 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DDBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000361862958 299951115 /nfs/dbraw/zinc/95/11/15/299951115.db2.gz SABYGAOPAIYCSX-UHFFFAOYSA-N -1 3 319.273 1.965 20 5 DDBDHM NC(=O)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCOCC1 ZINC000339085128 303260552 /nfs/dbraw/zinc/26/05/52/303260552.db2.gz PDAYLTGONPSRLV-ZDUSSCGKSA-N -1 3 323.349 1.061 20 5 DDBDHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228203223 525815827 /nfs/dbraw/zinc/81/58/27/525815827.db2.gz FAYYLANTNNEOTE-YUMQZZPRSA-N -1 3 322.770 1.686 20 5 DDBDHM CS[C@@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737173721 598854351 /nfs/dbraw/zinc/85/43/51/598854351.db2.gz ZZPLLTRERVGZMF-HQJQHLMTSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737173721 598854352 /nfs/dbraw/zinc/85/43/52/598854352.db2.gz ZZPLLTRERVGZMF-HQJQHLMTSA-N -1 3 324.366 1.299 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000738370754 599323098 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DDBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC000823650789 599574688 /nfs/dbraw/zinc/57/46/88/599574688.db2.gz ATCWBYXBMGNHAJ-WCBMZHEXSA-N -1 3 319.325 1.133 20 5 DDBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC000823650789 599574690 /nfs/dbraw/zinc/57/46/90/599574690.db2.gz ATCWBYXBMGNHAJ-WCBMZHEXSA-N -1 3 319.325 1.133 20 5 DDBDHM C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C(=O)[O-] ZINC000828457067 601500372 /nfs/dbraw/zinc/50/03/72/601500372.db2.gz QKIJASLPHZPOFA-ZANVPECISA-N -1 3 322.317 1.614 20 5 DDBDHM O=C([O-])NC[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000740645152 601935312 /nfs/dbraw/zinc/93/53/12/601935312.db2.gz WLBGREBDGVPKFR-LLVKDONJSA-N -1 3 309.322 1.563 20 5 DDBDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000825263220 604212027 /nfs/dbraw/zinc/21/20/27/604212027.db2.gz FOYSTCLQFLZMFD-WDEREUQCSA-N -1 3 311.342 1.159 20 5 DDBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC000820607306 606230117 /nfs/dbraw/zinc/23/01/17/606230117.db2.gz PQLSNSZFEWTOGE-UHFFFAOYSA-N -1 3 321.366 1.502 20 5 DDBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC000820607306 606230119 /nfs/dbraw/zinc/23/01/19/606230119.db2.gz PQLSNSZFEWTOGE-UHFFFAOYSA-N -1 3 321.366 1.502 20 5 DDBDHM CCOC(=O)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821313393 606428653 /nfs/dbraw/zinc/42/86/53/606428653.db2.gz DWGHUMSWOAEYFZ-QMMMGPOBSA-N -1 3 320.309 1.386 20 5 DDBDHM CCOC(=O)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821313393 606428655 /nfs/dbraw/zinc/42/86/55/606428655.db2.gz DWGHUMSWOAEYFZ-QMMMGPOBSA-N -1 3 320.309 1.386 20 5 DDBDHM Cc1cc(=O)n(Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822159511 606785370 /nfs/dbraw/zinc/78/53/70/606785370.db2.gz AQDJARQTHLJCIF-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM Cc1cc(=O)n(Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822159511 606785374 /nfs/dbraw/zinc/78/53/74/606785374.db2.gz AQDJARQTHLJCIF-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000823449948 606800613 /nfs/dbraw/zinc/80/06/13/606800613.db2.gz GBTCHJIGBWZGKM-UHFFFAOYSA-N -1 3 312.245 1.389 20 5 DDBDHM Cc1nn(C)c(Sc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822496548 606945234 /nfs/dbraw/zinc/94/52/34/606945234.db2.gz QIZKZFISMTWOPT-UHFFFAOYSA-N -1 3 317.334 1.968 20 5 DDBDHM Cc1nn(C)c(Sc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822496548 606945236 /nfs/dbraw/zinc/94/52/36/606945236.db2.gz QIZKZFISMTWOPT-UHFFFAOYSA-N -1 3 317.334 1.968 20 5 DDBDHM COC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000826153087 607842002 /nfs/dbraw/zinc/84/20/02/607842002.db2.gz BBGYIGVWFJYMSM-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CN(Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999275 607846838 /nfs/dbraw/zinc/84/68/38/607846838.db2.gz UOXPCOQQWASAQA-UHFFFAOYSA-N -1 3 300.282 1.065 20 5 DDBDHM CO[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826146419 608414697 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DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000265649979 408731918 /nfs/dbraw/zinc/73/19/18/408731918.db2.gz MZHFONRPDBAIBT-SECBINFHSA-N -1 3 318.351 1.307 20 5 DDBDHM C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295299503 409420186 /nfs/dbraw/zinc/42/01/86/409420186.db2.gz NZTAIYOVLIXKJU-SECBINFHSA-N -1 3 320.342 1.421 20 5 DDBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000296259143 409482374 /nfs/dbraw/zinc/48/23/74/409482374.db2.gz PSFHHJWBURZZNG-SNVBAGLBSA-N -1 3 302.352 1.282 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000342507987 409685916 /nfs/dbraw/zinc/68/59/16/409685916.db2.gz KYQSGTPFHQVBQU-LDYMZIIASA-N -1 3 320.392 1.811 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)OC)cs2)n1 ZINC000191670638 306724327 /nfs/dbraw/zinc/72/43/27/306724327.db2.gz NGTUMBSXAVCKAB-UHFFFAOYSA-N -1 3 324.318 1.912 20 5 DDBDHM COC(OC)[C@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000298315434 410175927 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422296108 /nfs/dbraw/zinc/29/61/08/422296108.db2.gz PZNVCWUPBIOIPP-UHFFFAOYSA-N -1 3 318.289 1.676 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000584339447 422296112 /nfs/dbraw/zinc/29/61/12/422296112.db2.gz PZNVCWUPBIOIPP-UHFFFAOYSA-N -1 3 318.289 1.676 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2=CCN(C)CC2)n1 ZINC000578363058 422555263 /nfs/dbraw/zinc/55/52/63/422555263.db2.gz FHSZSGPCDNLJFL-UHFFFAOYSA-N -1 3 306.322 1.670 20 5 DDBDHM CC(C)(C)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000618358694 422523154 /nfs/dbraw/zinc/52/31/54/422523154.db2.gz SDGVKPMHYQAUAZ-UHFFFAOYSA-N -1 3 305.294 1.968 20 5 DDBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000152352744 292839650 /nfs/dbraw/zinc/83/96/50/292839650.db2.gz NBBFWMZYMQJBOP-LLVKDONJSA-N -1 3 314.363 1.607 20 5 DDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cc(=O)[n-]c(C2CC2)n1 ZINC000561159512 303832163 /nfs/dbraw/zinc/83/21/63/303832163.db2.gz BQKGTAPWXZYNTE-UHFFFAOYSA-N -1 3 314.301 1.898 20 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CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416529027 420406781 /nfs/dbraw/zinc/40/67/81/420406781.db2.gz PCLUWSKTKFDQEK-WAAGHKOSSA-N -1 3 318.326 1.580 20 5 DDBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncc([N+](=O)[O-])c(N)n2)n1 ZINC000566498737 421607018 /nfs/dbraw/zinc/60/70/18/421607018.db2.gz MLAFOIIUOCPLIO-LURJTMIESA-N -1 3 308.323 1.624 20 5 DDBDHM Cc1ncc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000519801792 421729491 /nfs/dbraw/zinc/72/94/91/421729491.db2.gz STLAFCVYMAJMOJ-SECBINFHSA-N -1 3 316.317 1.819 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCCCCC2)n1 ZINC000574918863 422215022 /nfs/dbraw/zinc/21/50/22/422215022.db2.gz AABUNPLUYQPOKH-UHFFFAOYSA-N -1 3 322.365 2.284 20 5 DDBDHM Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])[n-]c(=O)n1 ZINC000342145684 271318954 /nfs/dbraw/zinc/31/89/54/271318954.db2.gz YGKPJAKYFVVTDJ-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM Cc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376142710 302039256 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C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[C@H](C)O ZINC000736142567 598973137 /nfs/dbraw/zinc/97/31/37/598973137.db2.gz FKEWGAMBRFVODI-BDAKNGLRSA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[C@H](C)O ZINC000736142567 598973139 /nfs/dbraw/zinc/97/31/39/598973139.db2.gz FKEWGAMBRFVODI-BDAKNGLRSA-N -1 3 306.326 1.594 20 5 DDBDHM CCc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])on1 ZINC000736676715 599043569 /nfs/dbraw/zinc/04/35/69/599043569.db2.gz UCMSUAHGDHDKJH-UHFFFAOYSA-N -1 3 315.293 1.937 20 5 DDBDHM CCc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])on1 ZINC000736676715 599043572 /nfs/dbraw/zinc/04/35/72/599043572.db2.gz UCMSUAHGDHDKJH-UHFFFAOYSA-N -1 3 315.293 1.937 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@@H](CCO)C2CC2)c(-c2nnn[n-]2)c1 ZINC000738369547 599044982 /nfs/dbraw/zinc/04/49/82/599044982.db2.gz IITJXHJNZUPFDN-NSHDSACASA-N -1 3 304.310 1.348 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@@H](CCO)C2CC2)c(-c2nn[n-]n2)c1 ZINC000738369547 599044985 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O=[N+]([O-])c1ccc(N2CCOCC3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499017 705804957 /nfs/dbraw/zinc/80/49/57/705804957.db2.gz RXLKRZHMKDQZLL-UHFFFAOYSA-N -1 3 316.321 1.392 20 5 DDBDHM COc1c([O-])ccc(CN2CC[C@@H](O)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000898189993 708569201 /nfs/dbraw/zinc/56/92/01/708569201.db2.gz XMZZPLOZMUDSSI-VHSXEESVSA-N -1 3 300.286 1.214 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)(C)O ZINC001212017522 741945606 /nfs/dbraw/zinc/94/56/06/741945606.db2.gz FAWMPKYTJZPWDK-SECBINFHSA-N -1 3 322.408 1.793 20 5 DDBDHM CC(C)OCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107067861 748889508 /nfs/dbraw/zinc/88/95/08/748889508.db2.gz KNPGNQWMQCLSGG-ONEGZZNKSA-N -1 3 324.337 1.205 20 5 DDBDHM CC(C)(C)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107163266 749460903 /nfs/dbraw/zinc/46/09/03/749460903.db2.gz KTZKOWLGWJUPAH-SNAWJCMRSA-N -1 3 308.338 1.826 20 5 DDBDHM CC1(C(=O)NC[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001091517899 772800017 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O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc3c([O-])coc3c1)C2 ZINC001225341054 881786738 /nfs/dbraw/zinc/78/67/38/881786738.db2.gz WVUNPEWIJAIJBS-VIFPVBQESA-N -1 3 317.257 1.206 20 5 DDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1c(F)cccc1[N+](=O)[O-] ZINC001160453160 865849790 /nfs/dbraw/zinc/84/97/90/865849790.db2.gz CRCOYWQKXWBOBO-UHFFFAOYSA-N -1 3 308.269 1.120 20 5 DDBDHM Cc1cnc(=S)[n-]c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001225740061 882004157 /nfs/dbraw/zinc/00/41/57/882004157.db2.gz BOALEXKGTFTVCN-ZETCQYMHSA-N -1 3 309.307 1.018 20 5 DDBDHM CCOc1cnc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001164370995 869160171 /nfs/dbraw/zinc/16/01/71/869160171.db2.gz RHPXWYPDUMGVKO-VIFPVBQESA-N -1 3 307.310 1.312 20 5 DDBDHM COC(=O)c1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n(C)c1C ZINC001307198200 871408135 /nfs/dbraw/zinc/40/81/35/871408135.db2.gz KOAMCGAZNWEIDP-UHFFFAOYSA-N -1 3 320.305 1.741 20 5 DDBDHM Cc1cc(NC(=O)NCCCc2c[n-][nH]c2=O)cc([N+](=O)[O-])c1 ZINC001210585413 875446748 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CCn1cnnc1CCNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000085325922 353732402 /nfs/dbraw/zinc/73/24/02/353732402.db2.gz JBZLATITNGGSTB-UHFFFAOYSA-N -1 3 321.337 1.253 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000091212577 353818767 /nfs/dbraw/zinc/81/87/67/353818767.db2.gz HBTNFUMPKCVINB-UHFFFAOYSA-N -1 3 324.362 1.468 20 5 DDBDHM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592828097 355704899 /nfs/dbraw/zinc/70/48/99/355704899.db2.gz BNJAXCRZURDKHR-NSHDSACASA-N -1 3 308.338 1.252 20 5 DDBDHM CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592828684 355705303 /nfs/dbraw/zinc/70/53/03/355705303.db2.gz HXVCOXXEHNZCCA-GFCCVEGCSA-N -1 3 307.350 1.857 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553761 355922804 /nfs/dbraw/zinc/92/28/04/355922804.db2.gz PHNMWUXSZHTLPD-CABZTGNLSA-N -1 3 317.367 1.065 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c([N+](=O)[O-])c1 ZINC000594801695 356322224 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COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)n1 ZINC000618367284 363606197 /nfs/dbraw/zinc/60/61/97/363606197.db2.gz ATFXRTOZULOVFH-UHFFFAOYSA-N -1 3 320.261 1.360 20 5 DDBDHM C[C@H]1S[C@H](C)C(=O)N(c2ccc([N+](=O)[O-])cc2F)[N-]C1=O ZINC000601939284 358745395 /nfs/dbraw/zinc/74/53/95/358745395.db2.gz MEXPBWLYLYIZGX-RNFRBKRXSA-N -1 3 313.310 1.622 20 5 DDBDHM Cc1cnc(OCc2nc3c(cnn3C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000611239891 360675206 /nfs/dbraw/zinc/67/52/06/360675206.db2.gz SITXBDLAECHEHI-UHFFFAOYSA-N -1 3 316.277 1.260 20 5 DDBDHM COCCN1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611556115 360758820 /nfs/dbraw/zinc/75/88/20/360758820.db2.gz IEUMILWRLSRWIU-GFCCVEGCSA-N -1 3 323.349 1.141 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(N)c1 ZINC000192517967 200892180 /nfs/dbraw/zinc/89/21/80/200892180.db2.gz MBXBMHXPNMDKNJ-UHFFFAOYSA-N -1 3 321.358 1.964 20 5 DDBDHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000193493732 201062964 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C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000294378868 248788092 /nfs/dbraw/zinc/78/80/92/248788092.db2.gz BJGJNLBNSDKIAM-MFKMUULPSA-N -1 3 314.363 1.424 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000341080235 251369707 /nfs/dbraw/zinc/36/97/07/251369707.db2.gz RBAJAIXOLCXRFS-UHFFFAOYSA-N -1 3 314.363 1.487 20 5 DDBDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)cn1C ZINC000066101195 184389373 /nfs/dbraw/zinc/38/93/73/184389373.db2.gz BVCOOWPVAYJQBS-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM Cc1c(CC(=O)NCc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000352517107 285108330 /nfs/dbraw/zinc/10/83/30/285108330.db2.gz NVRJLJICMQMYAG-UHFFFAOYSA-N -1 3 301.302 1.863 20 5 DDBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108406007 407385769 /nfs/dbraw/zinc/38/57/69/407385769.db2.gz VKVPKPDLTCPHOU-VIFPVBQESA-N -1 3 319.408 1.276 20 5 DDBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125709681 407396244 /nfs/dbraw/zinc/39/62/44/407396244.db2.gz KIDNNWJVZATLHG-LURJTMIESA-N -1 3 310.422 1.995 20 5 DDBDHM CC[C@@H](O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000126184113 407407455 /nfs/dbraw/zinc/40/74/55/407407455.db2.gz PZXHQDCDWJIQFY-SNVBAGLBSA-N -1 3 302.352 1.261 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C)COC1 ZINC000112708494 407437091 /nfs/dbraw/zinc/43/70/91/407437091.db2.gz ZBENYQBCUXEVFZ-UHFFFAOYSA-N -1 3 300.336 1.218 20 5 DDBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271246554 407595153 /nfs/dbraw/zinc/59/51/53/407595153.db2.gz JNFSVBRYYFSSBL-UWVGGRQHSA-N -1 3 300.336 1.441 20 5 DDBDHM C[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000119039628 407980256 /nfs/dbraw/zinc/98/02/56/407980256.db2.gz QJVZXWJRPAUEBH-CMPLNLGQSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCOC2)c1[N+](=O)[O-] ZINC000190084531 408159614 /nfs/dbraw/zinc/15/96/14/408159614.db2.gz UUZODTVMGMXPDG-JTQLQIEISA-N -1 3 300.336 1.279 20 5 DDBDHM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268723199 408175823 /nfs/dbraw/zinc/17/58/23/408175823.db2.gz CVDXDSKADIRCSB-VIFPVBQESA-N -1 3 316.335 1.072 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC=C(C)C ZINC000190245887 408199741 /nfs/dbraw/zinc/19/97/41/408199741.db2.gz CCMFGLHZUXNGSA-UHFFFAOYSA-N -1 3 300.336 1.848 20 5 DDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000190753050 408316851 /nfs/dbraw/zinc/31/68/51/408316851.db2.gz PTGIGYRWDZVKIZ-SECBINFHSA-N -1 3 302.352 1.525 20 5 DDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183677585 408467164 /nfs/dbraw/zinc/46/71/64/408467164.db2.gz OQLUFBCURRNZAS-QMMMGPOBSA-N -1 3 322.770 1.606 20 5 DDBDHM COc1nnc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000183688231 408468232 /nfs/dbraw/zinc/46/82/32/408468232.db2.gz OQMOKMZTMQNJKA-ZCFIWIBFSA-N -1 3 309.257 1.603 20 5 DDBDHM COc1nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000183688231 408468236 /nfs/dbraw/zinc/46/82/36/408468236.db2.gz OQMOKMZTMQNJKA-ZCFIWIBFSA-N -1 3 309.257 1.603 20 5 DDBDHM COc1n[n-]c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183688231 408468242 /nfs/dbraw/zinc/46/82/42/408468242.db2.gz OQMOKMZTMQNJKA-ZCFIWIBFSA-N -1 3 309.257 1.603 20 5 DDBDHM CC(C)N1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000274828896 408548367 /nfs/dbraw/zinc/54/83/67/408548367.db2.gz YZLFSKDVDAYPLL-GFCCVEGCSA-N -1 3 307.350 1.903 20 5 DDBDHM C[C@@H](CN(C)c1c2ccccc2ncc1[N+](=O)[O-])c1nnn[n-]1 ZINC000291930038 408947742 /nfs/dbraw/zinc/94/77/42/408947742.db2.gz MCAORXHEBOIQRM-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@@H](CN(C)c1c2ccccc2ncc1[N+](=O)[O-])c1nn[n-]n1 ZINC000291930038 408947745 /nfs/dbraw/zinc/94/77/45/408947745.db2.gz MCAORXHEBOIQRM-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)cc1C ZINC000228205109 163340113 /nfs/dbraw/zinc/34/01/13/163340113.db2.gz HBTGYAFIDLZLDP-GHMZBOCLSA-N -1 3 316.379 1.649 20 5 DDBDHM Cc1nccn1CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277696435 408994706 /nfs/dbraw/zinc/99/47/06/408994706.db2.gz HEWLMQQTJSFDLP-UHFFFAOYSA-N -1 3 305.294 1.020 20 5 DDBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295271373 409406647 /nfs/dbraw/zinc/40/66/47/409406647.db2.gz LXBLVRQISUXZPO-JTQLQIEISA-N -1 3 302.352 1.282 20 5 DDBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295336939 409440848 /nfs/dbraw/zinc/44/08/48/409440848.db2.gz MJQDJEDTFBHFBF-JTQLQIEISA-N -1 3 320.349 1.252 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798482 409618326 /nfs/dbraw/zinc/61/83/26/409618326.db2.gz GLOLHYMIOYYQEO-LKFCYVNXSA-N -1 3 305.334 1.513 20 5 DDBDHM CC(C)N1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000354758198 410065579 /nfs/dbraw/zinc/06/55/79/410065579.db2.gz CPTXTJDAXUXEQK-NSHDSACASA-N -1 3 307.350 1.903 20 5 DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343475256 410480303 /nfs/dbraw/zinc/48/03/03/410480303.db2.gz YHVNBAZVWQUYIS-SSDOTTSWSA-N -1 3 308.381 1.526 20 5 DDBDHM C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000330605430 410820753 /nfs/dbraw/zinc/82/07/53/410820753.db2.gz HPBKVMZVOSBLBM-WDEREUQCSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000331110182 410954885 /nfs/dbraw/zinc/95/48/85/410954885.db2.gz SOTXZAMDSCPHMP-GFCCVEGCSA-N -1 3 316.379 1.589 20 5 DDBDHM CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1C ZINC000331135295 410969376 /nfs/dbraw/zinc/96/93/76/410969376.db2.gz KHKZBGYDEBFGLC-GFCCVEGCSA-N -1 3 308.338 1.108 20 5 DDBDHM COc1ccc(CNCc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000344324846 411091264 /nfs/dbraw/zinc/09/12/64/411091264.db2.gz LBLITZDGGCJHEJ-UHFFFAOYSA-N -1 3 304.306 1.697 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000543435840 416640438 /nfs/dbraw/zinc/64/04/38/416640438.db2.gz DMABNJUDGXWOLR-VIFPVBQESA-N -1 3 314.305 1.462 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)ccc2OC)n1 ZINC000191835154 222109674 /nfs/dbraw/zinc/10/96/74/222109674.db2.gz IYWYZALQRCULOA-UHFFFAOYSA-N -1 3 305.294 1.776 20 5 DDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(O)cc1[O-] ZINC000192736279 222134035 /nfs/dbraw/zinc/13/40/35/222134035.db2.gz KNUKJFZIGGZWKE-UHFFFAOYSA-N -1 3 317.301 1.848 20 5 DDBDHM CC(C)N1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436832504 420375688 /nfs/dbraw/zinc/37/56/88/420375688.db2.gz WBTRRVNNJZAOHN-NSHDSACASA-N -1 3 307.350 1.903 20 5 DDBDHM CC[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])OC ZINC000289607229 287857505 /nfs/dbraw/zinc/85/75/05/287857505.db2.gz RYLCOPJUSYSNBD-LLVKDONJSA-N -1 3 316.379 1.915 20 5 DDBDHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000126356423 281236459 /nfs/dbraw/zinc/23/64/59/281236459.db2.gz RTQQHHGPTQPKDM-UHFFFAOYSA-N -1 3 323.330 1.403 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCSC2)c1C ZINC000268877887 301860690 /nfs/dbraw/zinc/86/06/90/301860690.db2.gz QUDYLOQMMZEJLU-SNVBAGLBSA-N -1 3 316.404 1.995 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000183387243 302049767 /nfs/dbraw/zinc/04/97/67/302049767.db2.gz YAKBVBSBKUDLHV-NSHDSACASA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000428388485 302049816 /nfs/dbraw/zinc/04/98/16/302049816.db2.gz IWHMQESLZVDYNM-QMMMGPOBSA-N -1 3 324.305 1.198 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000266304065 302050394 /nfs/dbraw/zinc/05/03/94/302050394.db2.gz OINANQWTJDYOMF-VIFPVBQESA-N -1 3 302.377 1.687 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC12CC2 ZINC000416647321 302379391 /nfs/dbraw/zinc/37/93/91/302379391.db2.gz MSHFIIVWEUCRAB-SECBINFHSA-N -1 3 312.347 1.682 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000519649847 302847231 /nfs/dbraw/zinc/84/72/31/302847231.db2.gz VGZASPODZKFESK-APPZFPTMSA-N -1 3 320.754 1.704 20 5 DDBDHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000376444258 307244020 /nfs/dbraw/zinc/24/40/20/307244020.db2.gz XZTZMYRBLXNKRX-DGCLKSJQSA-N -1 3 319.361 1.999 20 5 DDBDHM C[C@@H](CN(C)c1nccc2ccc([N+](=O)[O-])cc21)c1nnn[n-]1 ZINC000413223390 533751768 /nfs/dbraw/zinc/75/17/68/533751768.db2.gz CYLYQHHSOFDPFV-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@@H](CN(C)c1nccc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000413223390 533751772 /nfs/dbraw/zinc/75/17/72/533751772.db2.gz CYLYQHHSOFDPFV-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)c1 ZINC000738371673 598977924 /nfs/dbraw/zinc/97/79/24/598977924.db2.gz WJIRXCWHSYWVAF-NOZJJQNGSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@H]2O)c(-c2nn[n-]n2)c1 ZINC000738371673 598977926 /nfs/dbraw/zinc/97/79/26/598977926.db2.gz WJIRXCWHSYWVAF-NOZJJQNGSA-N -1 3 318.337 1.738 20 5 DDBDHM CCC[C@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821022305 599104735 /nfs/dbraw/zinc/10/47/35/599104735.db2.gz REUBHQFDWGHINB-SNVBAGLBSA-N -1 3 320.353 1.986 20 5 DDBDHM CCC[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821022305 599104736 /nfs/dbraw/zinc/10/47/36/599104736.db2.gz REUBHQFDWGHINB-SNVBAGLBSA-N -1 3 320.353 1.986 20 5 DDBDHM CN(C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)C(=O)[O-] ZINC000828182008 603705764 /nfs/dbraw/zinc/70/57/64/603705764.db2.gz YFWPKLNESYYKPM-LLVKDONJSA-N -1 3 311.342 1.113 20 5 DDBDHM O=[N+]([O-])c1ccc(NCc2ncccc2F)c(-c2nnn[n-]2)c1 ZINC000826499119 607730839 /nfs/dbraw/zinc/73/08/39/607730839.db2.gz WNCDVLFAZPAZHU-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1ccc(NCc2ncccc2F)c(-c2nn[n-]n2)c1 ZINC000826499119 607730841 /nfs/dbraw/zinc/73/08/41/607730841.db2.gz WNCDVLFAZPAZHU-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCO1 ZINC000820623353 606723905 /nfs/dbraw/zinc/72/39/05/606723905.db2.gz NENKVAZBNKZQLW-CYBMUJFWSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCO1 ZINC000820623353 606723906 /nfs/dbraw/zinc/72/39/06/606723906.db2.gz NENKVAZBNKZQLW-CYBMUJFWSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@H]1N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1(C)C ZINC000820822321 606877112 /nfs/dbraw/zinc/87/71/12/606877112.db2.gz YPEMIKPPTQEZAF-SECBINFHSA-N -1 3 318.337 1.779 20 5 DDBDHM C[C@H]1N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1(C)C ZINC000820822321 606877113 /nfs/dbraw/zinc/87/71/13/606877113.db2.gz YPEMIKPPTQEZAF-SECBINFHSA-N -1 3 318.337 1.779 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](CO)CC2)c(-c2nn[n-]n2)c1 ZINC000823645927 606877952 /nfs/dbraw/zinc/87/79/52/606877952.db2.gz WOZOXHBPMYDRQL-AOOOYVTPSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](CO)CC2)c(-c2nnn[n-]2)c1 ZINC000823645927 606877951 /nfs/dbraw/zinc/87/79/51/606877951.db2.gz WOZOXHBPMYDRQL-AOOOYVTPSA-N -1 3 318.337 1.738 20 5 DDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824961818 609318525 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DDBDHM COC(=O)c1ncc(N)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828601 748032973 /nfs/dbraw/zinc/03/29/73/748032973.db2.gz ODUYYWHOKSNPCQ-UHFFFAOYSA-N -1 3 305.250 1.203 20 5 DDBDHM Cc1ccc(NCC=CCNC(=O)c2cn[n-]n2)c([N+](=O)[O-])c1 ZINC001107586527 750193056 /nfs/dbraw/zinc/19/30/56/750193056.db2.gz BUHFNMBATUQSKG-IHWYPQMZSA-N -1 3 316.321 1.419 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001128984715 750672708 /nfs/dbraw/zinc/67/27/08/750672708.db2.gz FOZQTJWBKLQVKD-UHFFFAOYSA-N -1 3 319.306 1.427 20 5 DDBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001109399117 763658092 /nfs/dbraw/zinc/65/80/92/763658092.db2.gz YDUTYUVVSKLOBE-UHFFFAOYSA-N -1 3 320.349 1.922 20 5 DDBDHM Cc1cscc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093564791 774835271 /nfs/dbraw/zinc/83/52/71/774835271.db2.gz XJPYOCWKNQTGQF-UHFFFAOYSA-N -1 3 322.346 1.907 20 5 DDBDHM C/C=C(\C)C(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101316595 777061905 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Cc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000340730661 251180386 /nfs/dbraw/zinc/18/03/86/251180386.db2.gz DZAUHXRIARWINP-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM Cc1cc(=O)n(CC(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000180714477 207363395 /nfs/dbraw/zinc/36/33/95/207363395.db2.gz NBVRSOXYBYTHGT-UHFFFAOYSA-N -1 3 303.274 1.409 20 5 DDBDHM COc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[n-]1 ZINC000352644284 285194126 /nfs/dbraw/zinc/19/41/26/285194126.db2.gz MRZZRDORGZOHDW-UHFFFAOYSA-N -1 3 303.234 1.720 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000120996934 195276590 /nfs/dbraw/zinc/27/65/90/195276590.db2.gz QMAUXOFWCUKNHQ-SNVBAGLBSA-N -1 3 302.352 1.343 20 5 DDBDHM O=c1nc(Cn2cc([N+](=O)[O-])cn2)[n-]c2sc3c(c21)CCC3 ZINC000077932075 407015241 /nfs/dbraw/zinc/01/52/41/407015241.db2.gz VOTXAMQHZBBSGC-UHFFFAOYSA-N -1 3 317.330 1.626 20 5 DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049176514 407116386 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20 5 DDBDHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000130233714 407666345 /nfs/dbraw/zinc/66/63/45/407666345.db2.gz PBQJAGDYYFXAAW-QWRGUYRKSA-N -1 3 300.336 1.033 20 5 DDBDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc([N+](=O)[O-])c1 ZINC000179052563 407705815 /nfs/dbraw/zinc/70/58/15/407705815.db2.gz OXHJPRCYWBPREQ-UHFFFAOYSA-N -1 3 314.301 1.185 20 5 DDBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153907164 407930430 /nfs/dbraw/zinc/93/04/30/407930430.db2.gz DHIYFRYRWXJRJG-PWSUYJOCSA-N -1 3 307.350 1.713 20 5 DDBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nn1C ZINC000571114142 304438304 /nfs/dbraw/zinc/43/83/04/304438304.db2.gz MOQYZXBRXDLFST-UHFFFAOYSA-N -1 3 319.277 1.055 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000189783319 408106507 /nfs/dbraw/zinc/10/65/07/408106507.db2.gz FKDYLSZPBKAJNF-NSHDSACASA-N -1 3 314.363 1.669 20 5 DDBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268790735 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DDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)C ZINC000228409924 163341733 /nfs/dbraw/zinc/34/17/33/163341733.db2.gz RPDBLADXXKHETM-UHFFFAOYSA-N -1 3 316.335 1.316 20 5 DDBDHM O=c1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)[nH][n-]1 ZINC000280719450 409426041 /nfs/dbraw/zinc/42/60/41/409426041.db2.gz BYSAHQFDHWXXNA-UHFFFAOYSA-N -1 3 303.322 1.386 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000342505028 409682461 /nfs/dbraw/zinc/68/24/61/409682461.db2.gz ITEXDEGARXJRBI-UHFFFAOYSA-N -1 3 322.408 1.793 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000330419756 410678613 /nfs/dbraw/zinc/67/86/13/410678613.db2.gz PNXXPWSXKKNGGO-CMPLNLGQSA-N -1 3 314.363 1.749 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C2CCOCC2)c([N+](=O)[O-])c1 ZINC000330429939 410686789 /nfs/dbraw/zinc/68/67/89/410686789.db2.gz YXIFRXAZJXPWAM-UHFFFAOYSA-N -1 3 300.336 1.361 20 5 DDBDHM COC[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360007274 410999461 /nfs/dbraw/zinc/99/94/61/410999461.db2.gz ONEYASPGWNUMGC-JTQLQIEISA-N -1 3 302.352 1.525 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnn2C)c([N+](=O)[O-])c1 ZINC000337849621 411032249 /nfs/dbraw/zinc/03/22/49/411032249.db2.gz QWXLDAHYOUQMIC-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM COCc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000360497713 418451538 /nfs/dbraw/zinc/45/15/38/418451538.db2.gz BKLDGHAGXVYCFG-UHFFFAOYSA-N -1 3 310.291 1.551 20 5 DDBDHM Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375094740 418604231 /nfs/dbraw/zinc/60/42/31/418604231.db2.gz RBNALJDJQUSFRT-RYUDHWBXSA-N -1 3 321.333 1.787 20 5 DDBDHM O=[N+]([O-])c1ccccc1-c1ccc(C[N-]c2nnc(CO)o2)o1 ZINC000340688920 418623521 /nfs/dbraw/zinc/62/35/21/418623521.db2.gz LUXKSDLLCDUADJ-UHFFFAOYSA-N -1 3 316.273 2.342 20 5 DDBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000416557874 420417996 /nfs/dbraw/zinc/41/79/96/420417996.db2.gz KYPDFRGRFFDFPK-PWSUYJOCSA-N -1 3 314.363 1.749 20 5 DDBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416595112 420428825 /nfs/dbraw/zinc/42/88/25/420428825.db2.gz YAKSOQJABOPVGC-VIFPVBQESA-N -1 3 320.342 1.685 20 5 DDBDHM O=C(Nc1n[nH]c2ccc(F)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445171853 420760749 /nfs/dbraw/zinc/76/07/49/420760749.db2.gz IDOXOFBHGMCYTN-UHFFFAOYSA-N -1 3 317.236 1.963 20 5 DDBDHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)nc1=N ZINC000516096264 421528251 /nfs/dbraw/zinc/52/82/51/421528251.db2.gz HGHLGEKBEYYLIH-NSHDSACASA-N -1 3 316.321 1.113 20 5 DDBDHM COCCc1cc([O-])ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555303713 421674359 /nfs/dbraw/zinc/67/43/59/421674359.db2.gz ZEISBDYRNOMEON-UHFFFAOYSA-N -1 3 306.278 1.465 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCn1ccnc1 ZINC000539373139 421747689 /nfs/dbraw/zinc/74/76/89/421747689.db2.gz MQOMLRZZELWPFY-UHFFFAOYSA-N -1 3 324.362 1.550 20 5 DDBDHM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000520594170 421757250 /nfs/dbraw/zinc/75/72/50/421757250.db2.gz FYNVDXGTPFPBBB-OAHLLOKOSA-N -1 3 324.333 1.527 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000272515176 290230866 /nfs/dbraw/zinc/23/08/66/290230866.db2.gz YDDFSEMUUHELSZ-GXFFZTMASA-N -1 3 305.334 1.467 20 5 DDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338728642 294235630 /nfs/dbraw/zinc/23/56/30/294235630.db2.gz ZOZXIPOASMTDTQ-MRVPVSSYSA-N -1 3 322.770 1.952 20 5 DDBDHM O=C(Nc1cccc2[nH]c(=O)oc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356819213 298883153 /nfs/dbraw/zinc/88/31/53/298883153.db2.gz VVALCYWBVMCNIF-UHFFFAOYSA-N -1 3 316.229 1.795 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ncccc3[O-])C2)nc1 ZINC000565976312 308039893 /nfs/dbraw/zinc/03/98/93/308039893.db2.gz AWDCFFKUPHWXLH-LLVKDONJSA-N -1 3 315.333 1.777 20 5 DDBDHM COc1cc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568402748 308117575 /nfs/dbraw/zinc/11/75/75/308117575.db2.gz UTIWDTBGBHMDDR-NEPJUHHUSA-N -1 3 324.333 1.667 20 5 DDBDHM CC1(C)CCCN1CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000583796934 337334300 /nfs/dbraw/zinc/33/43/00/337334300.db2.gz MVJMYVHYRRLFDX-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000342519626 500738166 /nfs/dbraw/zinc/73/81/66/500738166.db2.gz XSSNIDSITYIOJO-ZETCQYMHSA-N -1 3 322.364 1.195 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000434025114 534342947 /nfs/dbraw/zinc/34/29/47/534342947.db2.gz ZZZMOXLJKGJDPX-UHFFFAOYSA-N -1 3 317.305 1.717 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000491862061 528154394 /nfs/dbraw/zinc/15/43/94/528154394.db2.gz AOXHOUJVTJTOPA-IRBQFCFKSA-N -1 3 316.317 1.236 20 5 DDBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1c([N+](=O)[O-])ncn1C ZINC000821702554 599202135 /nfs/dbraw/zinc/20/21/35/599202135.db2.gz XGVFZHCYABAYGJ-UHFFFAOYSA-N -1 3 317.265 1.309 20 5 DDBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1c([N+](=O)[O-])ncn1C ZINC000821702554 599202137 /nfs/dbraw/zinc/20/21/37/599202137.db2.gz XGVFZHCYABAYGJ-UHFFFAOYSA-N -1 3 317.265 1.309 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOCC1CC1 ZINC000738357591 598504500 /nfs/dbraw/zinc/50/45/00/598504500.db2.gz FXUSJXBAZZGUQO-UHFFFAOYSA-N -1 3 304.310 1.613 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOCC1CC1 ZINC000738357591 598504502 /nfs/dbraw/zinc/50/45/02/598504502.db2.gz FXUSJXBAZZGUQO-UHFFFAOYSA-N -1 3 304.310 1.613 20 5 DDBDHM CC[C@@H](C)[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736327763 598774073 /nfs/dbraw/zinc/77/40/73/598774073.db2.gz GBDYUVQBWWJCOT-OTYXRUKQSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C)[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736327763 598774074 /nfs/dbraw/zinc/77/40/74/598774074.db2.gz GBDYUVQBWWJCOT-OTYXRUKQSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736333263 598774882 /nfs/dbraw/zinc/77/48/82/598774882.db2.gz UXZWGHRLZJYPCI-OQPBUACISA-N -1 3 321.341 1.379 20 5 DDBDHM CC[C@@H](C)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736333263 598774883 /nfs/dbraw/zinc/77/48/83/598774883.db2.gz UXZWGHRLZJYPCI-OQPBUACISA-N -1 3 321.341 1.379 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCc3ncccc3C2)c(-c2nnn[n-]2)c1 ZINC000826500579 607564708 /nfs/dbraw/zinc/56/47/08/607564708.db2.gz CRQFOFVVRILKEM-UHFFFAOYSA-N -1 3 324.304 1.128 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCc3ncccc3C2)c(-c2nn[n-]n2)c1 ZINC000826500579 607564709 /nfs/dbraw/zinc/56/47/09/607564709.db2.gz CRQFOFVVRILKEM-UHFFFAOYSA-N -1 3 324.304 1.128 20 5 DDBDHM CN(C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828179769 603993784 /nfs/dbraw/zinc/99/37/84/603993784.db2.gz CTGAHRFYXPGUNA-LLVKDONJSA-N -1 3 311.342 1.113 20 5 DDBDHM C[C@@H](O)C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824699282 607738219 /nfs/dbraw/zinc/73/82/19/607738219.db2.gz RAICGHUSZAICRV-KOLCDFICSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@@H](O)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824699282 607738220 /nfs/dbraw/zinc/73/82/20/607738220.db2.gz RAICGHUSZAICRV-KOLCDFICSA-N -1 3 318.337 1.515 20 5 DDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000822665820 606207791 /nfs/dbraw/zinc/20/77/91/606207791.db2.gz ZMNQETANQZDXDC-UHFFFAOYSA-N -1 3 314.261 1.333 20 5 DDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000822665820 606207793 /nfs/dbraw/zinc/20/77/93/606207793.db2.gz ZMNQETANQZDXDC-UHFFFAOYSA-N -1 3 314.261 1.333 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826364814 607935560 /nfs/dbraw/zinc/93/55/60/607935560.db2.gz MEWVFLAERRAGSH-UHFFFAOYSA-N -1 3 312.293 1.203 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826364814 607935561 /nfs/dbraw/zinc/93/55/61/607935561.db2.gz MEWVFLAERRAGSH-UHFFFAOYSA-N -1 3 312.293 1.203 20 5 DDBDHM COc1cc([C@H]2NC3(CCCC3)C(=O)N2C)c([N+](=O)[O-])cc1[O-] ZINC000742441633 699878666 /nfs/dbraw/zinc/87/86/66/699878666.db2.gz DDCJSDGUFKPLCG-ZDUSSCGKSA-N -1 3 321.333 1.682 20 5 DDBDHM COc1cccc(S([O-])=CC(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851130063 703783206 /nfs/dbraw/zinc/78/32/06/703783206.db2.gz VROHXSOHTTXMCF-NRFANRHFSA-N -1 3 315.347 1.401 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000853255183 704226150 /nfs/dbraw/zinc/22/61/50/704226150.db2.gz VRGPYSGODDVLAA-UHFFFAOYSA-N -1 3 312.326 1.974 20 5 DDBDHM CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000874845356 705200283 /nfs/dbraw/zinc/20/02/83/705200283.db2.gz FTDHTUQWMIWBAJ-NWDGAFQWSA-N -1 3 305.334 1.609 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001059567398 741314095 /nfs/dbraw/zinc/31/40/95/741314095.db2.gz NBJBDROVOAETAS-DTORHVGOSA-N -1 3 317.305 1.396 20 5 DDBDHM COC(=O)c1ncc([N+](=O)[O-])cc1NCc1ncccc1[O-] ZINC001169736980 762644901 /nfs/dbraw/zinc/64/49/01/762644901.db2.gz NHNJELPJRFIRBR-UHFFFAOYSA-N -1 3 304.262 1.489 20 5 DDBDHM CCC(=CC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001100033015 761025728 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CC/C=C(/C)C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101523631 777208505 /nfs/dbraw/zinc/20/85/05/777208505.db2.gz HQGWRZDXCQJOLG-YHYXMXQVSA-N -1 3 308.338 1.922 20 5 DDBDHM O=C1[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1c1ccc(F)cc1 ZINC001307095819 871396702 /nfs/dbraw/zinc/39/67/02/871396702.db2.gz UEUBGTDHLONYEE-LLVKDONJSA-N -1 3 318.264 1.662 20 5 DDBDHM COc1cc(C[NH2+]CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001343648472 872702032 /nfs/dbraw/zinc/70/20/32/872702032.db2.gz PMQYGNPCROKEPE-VIFPVBQESA-N -1 3 312.322 1.900 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccnc(=S)[n-]3)C2)nc1 ZINC001226941985 882733996 /nfs/dbraw/zinc/73/39/96/882733996.db2.gz GSJFGCFUHMYYDV-JTQLQIEISA-N -1 3 319.346 1.726 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001210443645 875388201 /nfs/dbraw/zinc/38/82/01/875388201.db2.gz BDDNWVHGAWUFGE-UHFFFAOYSA-N -1 3 307.222 1.946 20 5 DDBDHM CCOC(=O)[C@H]1CCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693849 883136569 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ZINC000245571934 408017923 /nfs/dbraw/zinc/01/79/23/408017923.db2.gz GURFTTOITAXZHE-JGPRNRPPSA-N -1 3 314.363 1.829 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000190750496 408313206 /nfs/dbraw/zinc/31/32/06/408313206.db2.gz IECDQPVWKOVFMZ-QMMMGPOBSA-N -1 3 322.770 1.870 20 5 DDBDHM Cc1cc(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)ccc1[N+](=O)[O-] ZINC000278606197 409085886 /nfs/dbraw/zinc/08/58/86/409085886.db2.gz AWZNKMSGXZIZSE-AWEZNQCLSA-N -1 3 304.306 1.082 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000313689085 164010810 /nfs/dbraw/zinc/01/08/10/164010810.db2.gz FBWNOJUFLJYXKF-QWRGUYRKSA-N -1 3 314.363 1.424 20 5 DDBDHM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000318492572 164031709 /nfs/dbraw/zinc/03/17/09/164031709.db2.gz CYGBTJAQWSUVOX-LLVKDONJSA-N -1 3 305.334 1.611 20 5 DDBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)C2COC2)c(Cl)c1 ZINC000332445764 410164938 /nfs/dbraw/zinc/16/49/38/410164938.db2.gz DPNPKGVTTIBSED-UHFFFAOYSA-N -1 3 306.727 1.066 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC(CO)CC1 ZINC000340060919 410648674 /nfs/dbraw/zinc/64/86/74/410648674.db2.gz QLTFBGHZKSKPOI-UHFFFAOYSA-N -1 3 314.363 1.424 20 5 DDBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])O1 ZINC000416538809 224972293 /nfs/dbraw/zinc/97/22/93/224972293.db2.gz XAYOLLZBTKIZDG-ZYHUDNBSSA-N -1 3 314.363 1.582 20 5 DDBDHM Cc1cc(C(=O)Nc2cc3n(n2)CCCC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376205610 418694435 /nfs/dbraw/zinc/69/44/35/418694435.db2.gz RQSXRSYKGRWTAN-UHFFFAOYSA-N -1 3 317.305 1.789 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@H](C)O ZINC000386747026 418741231 /nfs/dbraw/zinc/74/12/31/418741231.db2.gz FOJJCEOUAIQLSN-QWRGUYRKSA-N -1 3 316.379 1.649 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C2CC2)c([N+](=O)[O-])c1 ZINC000443277426 230002265 /nfs/dbraw/zinc/00/22/65/230002265.db2.gz OJEAIXQUQWIAFC-ZDUSSCGKSA-N -1 3 314.363 1.343 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccnn1 ZINC000443936626 230037794 /nfs/dbraw/zinc/03/77/94/230037794.db2.gz KRALGYLOJFAZAA-UHFFFAOYSA-N -1 3 308.319 1.172 20 5 DDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1csc(=O)[n-]1 ZINC000525920004 421313121 /nfs/dbraw/zinc/31/31/21/421313121.db2.gz KJYYJMWNQHMUEE-UHFFFAOYSA-N -1 3 309.303 1.566 20 5 DDBDHM Cn1ccnc1-c1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000548962121 421488517 /nfs/dbraw/zinc/48/85/17/421488517.db2.gz FWUHUOSVUKZGFZ-UHFFFAOYSA-N -1 3 319.306 1.427 20 5 DDBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000357144567 298978360 /nfs/dbraw/zinc/97/83/60/298978360.db2.gz WRLQRVHRNARMIC-UHFFFAOYSA-N -1 3 322.302 1.875 20 5 DDBDHM O=C(c1ccccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373262016 301680612 /nfs/dbraw/zinc/68/06/12/301680612.db2.gz SDUIGBYMIPJXMY-UHFFFAOYSA-N -1 3 316.317 1.974 20 5 DDBDHM CO[C@H]1C[C@@H](CC(=O)[O-])N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000577380668 308384027 /nfs/dbraw/zinc/38/40/27/308384027.db2.gz HKRJPBMGDURUQF-JSGCOSHPSA-N -1 3 324.333 1.538 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000492149981 534211905 /nfs/dbraw/zinc/21/19/05/534211905.db2.gz HIIKTURUVNDVLL-NWDGAFQWSA-N -1 3 314.363 1.341 20 5 DDBDHM CC[C@@H](C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736328238 598773982 /nfs/dbraw/zinc/77/39/82/598773982.db2.gz GVTDFNWITURJBL-PELKAZGASA-N -1 3 306.326 1.594 20 5 DDBDHM CC[C@@H](C)[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736328238 598773984 /nfs/dbraw/zinc/77/39/84/598773984.db2.gz GVTDFNWITURJBL-PELKAZGASA-N -1 3 306.326 1.594 20 5 DDBDHM O=[N+]([O-])c1ccccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000823648620 599407114 /nfs/dbraw/zinc/40/71/14/599407114.db2.gz YYBFZXLOLOAZHG-UHFFFAOYSA-N -1 3 300.278 1.658 20 5 DDBDHM O=[N+]([O-])c1ccccc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000823648620 599407116 /nfs/dbraw/zinc/40/71/16/599407116.db2.gz YYBFZXLOLOAZHG-UHFFFAOYSA-N -1 3 300.278 1.658 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCC[C@@H](O)C1 ZINC000823630506 599573670 /nfs/dbraw/zinc/57/36/70/599573670.db2.gz ZATRNZXQAWVGGD-GXSJLCMTSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[C@@H](O)C1 ZINC000823630506 599573671 /nfs/dbraw/zinc/57/36/71/599573671.db2.gz ZATRNZXQAWVGGD-GXSJLCMTSA-N -1 3 318.337 1.738 20 5 DDBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000820456292 599574050 /nfs/dbraw/zinc/57/40/50/599574050.db2.gz RMJJAPVJNUXKJB-QMMMGPOBSA-N -1 3 314.309 1.682 20 5 DDBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000820456292 599574053 /nfs/dbraw/zinc/57/40/53/599574053.db2.gz RMJJAPVJNUXKJB-QMMMGPOBSA-N -1 3 314.309 1.682 20 5 DDBDHM Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299706 600369548 /nfs/dbraw/zinc/36/95/48/600369548.db2.gz OIIJSJDRWWGKOC-MWLCHTKSSA-N -1 3 323.349 1.883 20 5 DDBDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000832235103 605939109 /nfs/dbraw/zinc/93/91/09/605939109.db2.gz WTTLJNOLVIOGSM-YOGCLGLASA-N -1 3 323.353 1.444 20 5 DDBDHM CC[C@@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821000939 606723015 /nfs/dbraw/zinc/72/30/15/606723015.db2.gz MMDYDUGDJFHKTB-NXEZZACHSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821000939 606723017 /nfs/dbraw/zinc/72/30/17/606723017.db2.gz MMDYDUGDJFHKTB-NXEZZACHSA-N -1 3 318.337 1.779 20 5 DDBDHM C[C@@](CO)(Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000820280216 606831070 /nfs/dbraw/zinc/83/10/70/606831070.db2.gz AXLUBZAKLLUVKY-ZDUSSCGKSA-N -1 3 304.310 1.348 20 5 DDBDHM C[C@@](CO)(Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000820280216 606831071 /nfs/dbraw/zinc/83/10/71/606831071.db2.gz AXLUBZAKLLUVKY-ZDUSSCGKSA-N -1 3 304.310 1.348 20 5 DDBDHM COCCC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821686974 607175396 /nfs/dbraw/zinc/17/53/96/607175396.db2.gz ICKONABRENVBDV-UHFFFAOYSA-N -1 3 319.325 1.399 20 5 DDBDHM COCCC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821686974 607175397 /nfs/dbraw/zinc/17/53/97/607175397.db2.gz ICKONABRENVBDV-UHFFFAOYSA-N -1 3 319.325 1.399 20 5 DDBDHM Cc1c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cnn1C ZINC000826236309 607966698 /nfs/dbraw/zinc/96/66/98/607966698.db2.gz GYFIPMVLWWCLGT-UHFFFAOYSA-N -1 3 314.309 1.429 20 5 DDBDHM Cc1c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnn1C ZINC000826236309 607966699 /nfs/dbraw/zinc/96/66/99/607966699.db2.gz GYFIPMVLWWCLGT-UHFFFAOYSA-N -1 3 314.309 1.429 20 5 DDBDHM O=C([N-]Cc1ncccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778390564 698270828 /nfs/dbraw/zinc/27/08/28/698270828.db2.gz PLTMRGKDVYIQBE-UHFFFAOYSA-N -1 3 308.244 1.793 20 5 DDBDHM O=c1[n-]ccc(NC[C@@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000853457517 704242630 /nfs/dbraw/zinc/24/26/30/704242630.db2.gz WDZSLWPGGANJCR-HNNXBMFYSA-N -1 3 301.302 1.941 20 5 DDBDHM CCOC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821374338 704399128 /nfs/dbraw/zinc/39/91/28/704399128.db2.gz VNOHDNCRQRYBKY-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CCOC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821374338 704399130 /nfs/dbraw/zinc/39/91/30/704399130.db2.gz VNOHDNCRQRYBKY-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CC[C@H]1CN(C)CCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910378180 709915594 /nfs/dbraw/zinc/91/55/94/709915594.db2.gz IYRIRNTVGOFAAL-NSHDSACASA-N -1 3 322.365 1.917 20 5 DDBDHM COc1c([O-])ccc(CN2CCO[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000895627752 711564068 /nfs/dbraw/zinc/56/40/68/711564068.db2.gz GHZDHTYAOHLUJX-NSHDSACASA-N -1 3 314.313 1.869 20 5 DDBDHM CCCCC(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100459670 733165884 /nfs/dbraw/zinc/16/58/84/733165884.db2.gz RAFJBBKHDFEWGT-UHFFFAOYSA-N -1 3 310.354 1.828 20 5 DDBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001107011234 748677686 /nfs/dbraw/zinc/67/76/86/748677686.db2.gz VNQLLLDDXLEMPG-OWOJBTEDSA-N -1 3 318.289 1.687 20 5 DDBDHM C/C=C(\C)C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095530952 750014307 /nfs/dbraw/zinc/01/43/07/750014307.db2.gz KTHHAOHLFJQTRC-ONNFQVAWSA-N -1 3 308.338 1.604 20 5 DDBDHM CCCCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097148265 771639719 /nfs/dbraw/zinc/63/97/19/771639719.db2.gz LHEUDRSZXQGXRP-AOOOYVTPSA-N -1 3 308.338 1.945 20 5 DDBDHM O=C(CC1CCOCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093536371 774791909 /nfs/dbraw/zinc/79/19/09/774791909.db2.gz WARPJMDRFYTQRC-UHFFFAOYSA-N -1 3 324.337 1.040 20 5 DDBDHM Cc1cnccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093594505 774878118 /nfs/dbraw/zinc/87/81/18/774878118.db2.gz JWOGUPAMKOUUQO-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM O=C(Cc1ccco1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093796061 775084577 /nfs/dbraw/zinc/08/45/77/775084577.db2.gz CYCBJHNLTHYESW-UHFFFAOYSA-N -1 3 306.278 1.059 20 5 DDBDHM CN(CCNC(=O)c1ccns1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100169988 775755403 /nfs/dbraw/zinc/75/54/03/775755403.db2.gz PNSUYUPPMLXDKH-UHFFFAOYSA-N -1 3 323.334 1.018 20 5 DDBDHM Cc1cc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])on1 ZINC001101490727 777173126 /nfs/dbraw/zinc/17/31/26/777173126.db2.gz PTESIMGZMITVMQ-UHFFFAOYSA-N -1 3 321.293 1.176 20 5 DDBDHM Cn1nc(C(C)(C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001116805121 780562347 /nfs/dbraw/zinc/56/23/47/780562347.db2.gz MIEGJBHBNLTQTQ-UHFFFAOYSA-N -1 3 319.321 1.979 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156278523 862895161 /nfs/dbraw/zinc/89/51/61/862895161.db2.gz JQNGUYNLHUYKTN-QMMMGPOBSA-N -1 3 302.294 1.395 20 5 DDBDHM CC(C)Oc1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001156284437 862904938 /nfs/dbraw/zinc/90/49/38/862904938.db2.gz IJDFDSWMJFRSBJ-SNVBAGLBSA-N -1 3 321.337 1.701 20 5 DDBDHM O=C([N-]Oc1ccccc1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154220072 860886097 /nfs/dbraw/zinc/88/60/97/860886097.db2.gz KCCRRJBNXHVXBV-UHFFFAOYSA-N -1 3 300.633 1.834 20 5 DDBDHM NCc1nc(=O)[n-]n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157934002 864282230 /nfs/dbraw/zinc/28/22/30/864282230.db2.gz NTEPDZIRIHSAHG-UHFFFAOYSA-N -1 3 305.081 1.042 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001164382620 869170265 /nfs/dbraw/zinc/17/02/65/869170265.db2.gz PIJJLXQURAEJOP-VIFPVBQESA-N -1 3 302.294 1.166 20 5 DDBDHM O=C([N-]c1nc2c(s1)CCCC2=O)c1n[nH]cc1[N+](=O)[O-] ZINC001305984340 871314024 /nfs/dbraw/zinc/31/40/24/871314024.db2.gz IGBZRWAKDFFOPU-UHFFFAOYSA-N -1 3 307.291 1.546 20 5 DDBDHM CN1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228862627 883703377 /nfs/dbraw/zinc/70/33/77/883703377.db2.gz OZMPSARDBYLICL-LURJTMIESA-N -1 3 307.228 1.797 20 5 DDBDHM CN1CC[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228862627 883703386 /nfs/dbraw/zinc/70/33/86/883703386.db2.gz OZMPSARDBYLICL-LURJTMIESA-N -1 3 307.228 1.797 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000452029538 231273725 /nfs/dbraw/zinc/27/37/25/231273725.db2.gz JYANBDBVSQGEIF-UHFFFAOYSA-N -1 3 323.330 1.939 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416612746 529647472 /nfs/dbraw/zinc/64/74/72/529647472.db2.gz DELQGYDBHXFWQR-GWCFXTLKSA-N -1 3 316.379 1.669 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)C(C)C ZINC000092407118 185316541 /nfs/dbraw/zinc/31/65/41/185316541.db2.gz QHERYLSUFUMVJR-SNVBAGLBSA-N -1 3 302.352 1.198 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)on1 ZINC000172018939 198026959 /nfs/dbraw/zinc/02/69/59/198026959.db2.gz KIDNMIUFCLWSJE-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063199127 352906421 /nfs/dbraw/zinc/90/64/21/352906421.db2.gz NTLKYQYPQULWRK-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000601310505 358490554 /nfs/dbraw/zinc/49/05/54/358490554.db2.gz QFKVHKAZFSESGL-UHFFFAOYSA-N -1 3 318.326 1.500 20 5 DDBDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593549392 355921237 /nfs/dbraw/zinc/92/12/37/355921237.db2.gz FOLYDKSPZUHODY-JTQLQIEISA-N -1 3 317.367 1.065 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CS1 ZINC000593608752 355941211 /nfs/dbraw/zinc/94/12/11/355941211.db2.gz QUWAFRAFEKOHRS-HTQZYQBOSA-N -1 3 303.365 1.162 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)nc1 ZINC000593574568 355931102 /nfs/dbraw/zinc/93/11/02/355931102.db2.gz DGEKCYXJSBJHNC-JTQLQIEISA-N -1 3 317.392 1.554 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)nc1 ZINC000593576052 355931646 /nfs/dbraw/zinc/93/16/46/355931646.db2.gz NUDNCSVHEMLSHM-NSHDSACASA-N -1 3 315.351 1.227 20 5 DDBDHM CCN1C[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000594375438 356188446 /nfs/dbraw/zinc/18/84/46/356188446.db2.gz OOAVKQLIFASVJF-UWVGGRQHSA-N -1 3 308.338 1.250 20 5 DDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601333201 358502889 /nfs/dbraw/zinc/50/28/89/358502889.db2.gz QCXCUHQVIFLBBE-VIFPVBQESA-N -1 3 320.342 1.746 20 5 DDBDHM CCn1nccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595416095 356484428 /nfs/dbraw/zinc/48/44/28/356484428.db2.gz PYYRTNHHYDPJQJ-UHFFFAOYSA-N -1 3 316.364 1.351 20 5 DDBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000596217586 356819266 /nfs/dbraw/zinc/81/92/66/356819266.db2.gz NIVLVXQQJJVTCU-HZMBPMFUSA-N -1 3 309.322 1.470 20 5 DDBDHM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596128428 356784116 /nfs/dbraw/zinc/78/41/16/356784116.db2.gz HRNXFWUHHQIZGE-NXEZZACHSA-N -1 3 308.338 1.754 20 5 DDBDHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc2c1COCC2 ZINC000598941629 357766196 /nfs/dbraw/zinc/76/61/96/357766196.db2.gz NZFUBYRTAYSAOS-UHFFFAOYSA-N -1 3 318.289 1.950 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC2)c(F)cc1[N+](=O)[O-] ZINC000601375158 358522516 /nfs/dbraw/zinc/52/25/16/358522516.db2.gz FNYDMTRTJRRZLS-QMMMGPOBSA-N -1 3 304.299 1.110 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCN(C)C2)c([N+](=O)[O-])s1 ZINC000601434228 358551698 /nfs/dbraw/zinc/55/16/98/358551698.db2.gz NOIKOOXFYAHVGA-SECBINFHSA-N -1 3 319.408 1.195 20 5 DDBDHM CC[C@@]1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOC1 ZINC000601401875 358536451 /nfs/dbraw/zinc/53/64/51/358536451.db2.gz DKCIDLUWYSXXEC-LLVKDONJSA-N -1 3 320.392 1.812 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccnc1 ZINC000358950844 299289659 /nfs/dbraw/zinc/28/96/59/299289659.db2.gz MPYJISCSLQUTCW-UHFFFAOYSA-N -1 3 321.358 1.819 20 5 DDBDHM COC(=O)c1cc(C(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000611489137 360732928 /nfs/dbraw/zinc/73/29/28/360732928.db2.gz LMOVONWKRKGYMH-UHFFFAOYSA-N -1 3 305.246 1.930 20 5 DDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000612322204 360971943 /nfs/dbraw/zinc/97/19/43/360971943.db2.gz CASJHGIGAKOZFS-UHFFFAOYSA-N -1 3 314.301 1.218 20 5 DDBDHM CCN1CCCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160320460 197399908 /nfs/dbraw/zinc/39/99/08/197399908.db2.gz QFGUEEFKESGZOW-GFCCVEGCSA-N -1 3 307.350 1.905 20 5 DDBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000339077776 250283711 /nfs/dbraw/zinc/28/37/11/250283711.db2.gz XJLDPKNFBZKFGP-UHFFFAOYSA-N -1 3 310.350 1.664 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC000270257299 208323200 /nfs/dbraw/zinc/32/32/00/208323200.db2.gz SJJSQRWOXUDFFJ-GFCCVEGCSA-N -1 3 316.335 1.061 20 5 DDBDHM CC(C)Cc1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000352531613 285120713 /nfs/dbraw/zinc/12/07/13/285120713.db2.gz PSWVEYKPFJJTAS-UHFFFAOYSA-N -1 3 317.305 1.936 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ncccc1[O-] ZINC000360021535 299581234 /nfs/dbraw/zinc/58/12/34/299581234.db2.gz FISJRYKPNQCGAE-UHFFFAOYSA-N -1 3 323.330 1.482 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000156829848 197143851 /nfs/dbraw/zinc/14/38/51/197143851.db2.gz KXQUHQPIYOPZIY-JTQLQIEISA-N -1 3 302.352 1.343 20 5 DDBDHM CCOc1ccc(C(=O)Nc2nnc(OC)[n-]2)cc1[N+](=O)[O-] ZINC000352646903 285195452 /nfs/dbraw/zinc/19/54/52/285195452.db2.gz NSWDMPSUAVUJBB-UHFFFAOYSA-N -1 3 307.266 1.373 20 5 DDBDHM CCOc1ccc(C(=O)Nc2n[n-]c(OC)n2)cc1[N+](=O)[O-] ZINC000352646903 285195456 /nfs/dbraw/zinc/19/54/56/285195456.db2.gz NSWDMPSUAVUJBB-UHFFFAOYSA-N -1 3 307.266 1.373 20 5 DDBDHM CCOc1ccc(C(=O)Nc2nc(OC)n[n-]2)cc1[N+](=O)[O-] ZINC000352646903 285195460 /nfs/dbraw/zinc/19/54/60/285195460.db2.gz NSWDMPSUAVUJBB-UHFFFAOYSA-N -1 3 307.266 1.373 20 5 DDBDHM COCCCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000298833849 533265566 /nfs/dbraw/zinc/26/55/66/533265566.db2.gz BVFWEEUGFUXXKB-UHFFFAOYSA-N -1 3 318.351 1.308 20 5 DDBDHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000569493208 304358290 /nfs/dbraw/zinc/35/82/90/304358290.db2.gz PVKQDSXBLYMHQY-AWEZNQCLSA-N -1 3 316.317 1.303 20 5 DDBDHM COCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247844118 292363120 /nfs/dbraw/zinc/36/31/20/292363120.db2.gz MBIWFSRTVUHZQE-UHFFFAOYSA-N -1 3 308.743 1.563 20 5 DDBDHM CC(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055215906 407198080 /nfs/dbraw/zinc/19/80/80/407198080.db2.gz QAQCICFFEWGVOV-UHFFFAOYSA-N -1 3 320.342 1.827 20 5 DDBDHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000094947108 407204695 /nfs/dbraw/zinc/20/46/95/407204695.db2.gz GKZQLKUDICKOLC-QMMMGPOBSA-N -1 3 322.770 1.688 20 5 DDBDHM CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111635719 407412593 /nfs/dbraw/zinc/41/25/93/407412593.db2.gz WBHHRFLWSNWZMM-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CC2)cc1[N+](=O)[O-] ZINC000186293871 407631421 /nfs/dbraw/zinc/63/14/21/407631421.db2.gz DCZVSJRGTOOZMX-UHFFFAOYSA-N -1 3 304.299 1.431 20 5 DDBDHM C[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000272506527 407953719 /nfs/dbraw/zinc/95/37/19/407953719.db2.gz JHLUUSGATXIKIQ-ZYHUDNBSSA-N -1 3 307.350 1.855 20 5 DDBDHM O=C([N-]c1nc[nH]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000119251648 408025137 /nfs/dbraw/zinc/02/51/37/408025137.db2.gz BYRCBUIVFBNEEO-UHFFFAOYSA-N -1 3 312.083 1.728 20 5 DDBDHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119151490 408001465 /nfs/dbraw/zinc/00/14/65/408001465.db2.gz AHCWHVYJPZWZTH-OLZOCXBDSA-N -1 3 319.361 1.999 20 5 DDBDHM Cc1ccc(C(=O)Nc2nnc(SCCO)[n-]2)cc1[N+](=O)[O-] ZINC000268600713 408116313 /nfs/dbraw/zinc/11/63/13/408116313.db2.gz STMGTVUVEVZMHA-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1ccc(C(=O)Nc2nc(SCCO)n[n-]2)cc1[N+](=O)[O-] ZINC000268600713 408116315 /nfs/dbraw/zinc/11/63/15/408116315.db2.gz STMGTVUVEVZMHA-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1[N+](=O)[O-] ZINC000268600713 408116321 /nfs/dbraw/zinc/11/63/21/408116321.db2.gz STMGTVUVEVZMHA-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1sc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc1[N+](=O)[O-] ZINC000273241792 408121495 /nfs/dbraw/zinc/12/14/95/408121495.db2.gz OCBDUTVUBAAJKM-UHFFFAOYSA-N -1 3 320.330 1.659 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000124469441 161836457 /nfs/dbraw/zinc/83/64/57/161836457.db2.gz IJBKMGGLYXWJTF-SECBINFHSA-N -1 3 308.381 1.260 20 5 DDBDHM O=C([N-]OC[C@@H]1CCOC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000191820147 408498677 /nfs/dbraw/zinc/49/86/77/408498677.db2.gz ZUWGMEDJVOAMAU-MRVPVSSYSA-N -1 3 300.698 1.946 20 5 DDBDHM Cc1c(CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466458 409278187 /nfs/dbraw/zinc/27/81/87/409278187.db2.gz QPLPLBSECSBTNL-LBPRGKRZSA-N -1 3 317.349 1.694 20 5 DDBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000296259140 409481221 /nfs/dbraw/zinc/48/12/21/409481221.db2.gz PSFHHJWBURZZNG-JTQLQIEISA-N -1 3 302.352 1.282 20 5 DDBDHM Cn1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1[N+](=O)[O-] ZINC000339503347 410238888 /nfs/dbraw/zinc/23/88/88/410238888.db2.gz HEBFMLNFYNEIOE-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM Cn1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1[N+](=O)[O-] ZINC000339503347 410238892 /nfs/dbraw/zinc/23/88/92/410238892.db2.gz HEBFMLNFYNEIOE-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM Cn1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000339503347 410238898 /nfs/dbraw/zinc/23/88/98/410238898.db2.gz HEBFMLNFYNEIOE-UHFFFAOYSA-N -1 3 313.277 1.366 20 5 DDBDHM CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343566655 410539251 /nfs/dbraw/zinc/53/92/51/410539251.db2.gz ISZTXDFFMSRMJJ-GFCCVEGCSA-N -1 3 307.350 1.905 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C)CCOC1 ZINC000330482490 410718865 /nfs/dbraw/zinc/71/88/65/410718865.db2.gz XIZVDTMGAVBSLP-GFCCVEGCSA-N -1 3 316.335 1.061 20 5 DDBDHM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000330602314 410817933 /nfs/dbraw/zinc/81/79/33/410817933.db2.gz FHKOUZBNQXMHOU-JSGCOSHPSA-N -1 3 323.393 1.577 20 5 DDBDHM CC(C)Oc1nc(N(C)C[C@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000580450494 422934088 /nfs/dbraw/zinc/93/40/88/422934088.db2.gz KQQFSBICZXKAKP-VIFPVBQESA-N -1 3 321.341 1.530 20 5 DDBDHM CC(C)Oc1nc(N(C)C[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000580450494 422934090 /nfs/dbraw/zinc/93/40/90/422934090.db2.gz KQQFSBICZXKAKP-VIFPVBQESA-N -1 3 321.341 1.530 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])[C@H](C)O ZINC000386800193 418740636 /nfs/dbraw/zinc/74/06/36/418740636.db2.gz PXHSUSKBFXNWQF-WCBMZHEXSA-N -1 3 318.351 1.041 20 5 DDBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1c(=O)[n-][nH]c1C1CC1 ZINC000421809646 419740775 /nfs/dbraw/zinc/74/07/75/419740775.db2.gz BSTVDJYBPMDZDO-SNVBAGLBSA-N -1 3 322.708 1.699 20 5 DDBDHM Cn1cnc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000445008248 230150876 /nfs/dbraw/zinc/15/08/76/230150876.db2.gz INRJTLHSWVSACI-UHFFFAOYSA-N -1 3 313.273 1.834 20 5 DDBDHM CC(C)(CN1CCCC1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000457056308 420598778 /nfs/dbraw/zinc/59/87/78/420598778.db2.gz SXLUQGMCTAFTPJ-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM COc1cc(CNCc2ccnc(OC)n2)c([N+](=O)[O-])cc1[O-] ZINC000449373503 421001114 /nfs/dbraw/zinc/00/11/14/421001114.db2.gz CDOVTRGDGLPZBF-UHFFFAOYSA-N -1 3 320.305 1.397 20 5 DDBDHM O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000573994886 422046451 /nfs/dbraw/zinc/04/64/51/422046451.db2.gz FNFVCSLGOGSRIC-LLVKDONJSA-N -1 3 320.349 1.442 20 5 DDBDHM Cc1conc1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581862418 422056135 /nfs/dbraw/zinc/05/61/35/422056135.db2.gz IXJJZKROEWFCMB-UHFFFAOYSA-N -1 3 305.246 1.915 20 5 DDBDHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000344671245 272085335 /nfs/dbraw/zinc/08/53/35/272085335.db2.gz OFMUVPSRVTXSDS-GFCCVEGCSA-N -1 3 322.365 1.546 20 5 DDBDHM CCn1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC000534310987 307647359 /nfs/dbraw/zinc/64/73/59/307647359.db2.gz QKQUOPDDWVJKIA-UHFFFAOYSA-N -1 3 324.362 1.598 20 5 DDBDHM O=[N+]([O-])c1ccc(NCCOC2CCC2)c(-c2nnn[n-]2)c1 ZINC000823639624 599084308 /nfs/dbraw/zinc/08/43/08/599084308.db2.gz DVWZGCNBRONKNE-UHFFFAOYSA-N -1 3 304.310 1.756 20 5 DDBDHM O=[N+]([O-])c1ccc(NCCOC2CCC2)c(-c2nn[n-]n2)c1 ZINC000823639624 599084311 /nfs/dbraw/zinc/08/43/11/599084311.db2.gz DVWZGCNBRONKNE-UHFFFAOYSA-N -1 3 304.310 1.756 20 5 DDBDHM CCC[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821022304 599104180 /nfs/dbraw/zinc/10/41/80/599104180.db2.gz REUBHQFDWGHINB-JTQLQIEISA-N -1 3 320.353 1.986 20 5 DDBDHM CCC[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821022304 599104183 /nfs/dbraw/zinc/10/41/83/599104183.db2.gz REUBHQFDWGHINB-JTQLQIEISA-N -1 3 320.353 1.986 20 5 DDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1[N+](=O)[O-] ZINC000736816291 598456100 /nfs/dbraw/zinc/45/61/00/598456100.db2.gz FBDJOWZLJWUIFZ-UHFFFAOYSA-N -1 3 311.305 1.806 20 5 DDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1[N+](=O)[O-] ZINC000736816291 598456102 /nfs/dbraw/zinc/45/61/02/598456102.db2.gz FBDJOWZLJWUIFZ-UHFFFAOYSA-N -1 3 311.305 1.806 20 5 DDBDHM Nc1nc(Sc2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000737777393 598551938 /nfs/dbraw/zinc/55/19/38/598551938.db2.gz XULCMYSIHQMWCA-UHFFFAOYSA-N -1 3 316.306 1.298 20 5 DDBDHM Nc1nc(Sc2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000737777393 598551939 /nfs/dbraw/zinc/55/19/39/598551939.db2.gz XULCMYSIHQMWCA-UHFFFAOYSA-N -1 3 316.306 1.298 20 5 DDBDHM COCC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736971652 598773587 /nfs/dbraw/zinc/77/35/87/598773587.db2.gz JFUNCHFOOMCBGZ-UHFFFAOYSA-N -1 3 318.337 1.638 20 5 DDBDHM COCC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736971652 598773589 /nfs/dbraw/zinc/77/35/89/598773589.db2.gz JFUNCHFOOMCBGZ-UHFFFAOYSA-N -1 3 318.337 1.638 20 5 DDBDHM CSC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737179448 599537526 /nfs/dbraw/zinc/53/75/26/599537526.db2.gz KHUHCMILFRECBJ-LBPRGKRZSA-N -1 3 324.366 1.301 20 5 DDBDHM CSC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737179448 599537529 /nfs/dbraw/zinc/53/75/29/599537529.db2.gz KHUHCMILFRECBJ-LBPRGKRZSA-N -1 3 324.366 1.301 20 5 DDBDHM O=c1ccn(Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000823665539 599697726 /nfs/dbraw/zinc/69/77/26/599697726.db2.gz 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DDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289482051 221006183 /nfs/dbraw/zinc/00/61/83/221006183.db2.gz RVDLJZZBSPQZCO-PWSUYJOCSA-N -1 3 317.349 1.947 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000332354300 292182951 /nfs/dbraw/zinc/18/29/51/292182951.db2.gz RXYJXVGFIUMABD-LLVKDONJSA-N -1 3 314.363 1.751 20 5 DDBDHM COc1ncccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028041488 406915560 /nfs/dbraw/zinc/91/55/60/406915560.db2.gz UOBMRYQBLUNWIG-UHFFFAOYSA-N -1 3 323.330 1.477 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000101577449 407312094 /nfs/dbraw/zinc/31/20/94/407312094.db2.gz RRZDOINUWGXBPT-QMMMGPOBSA-N -1 3 306.315 1.437 20 5 DDBDHM C[C@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[S@@](C)=O ZINC000124204083 407351257 /nfs/dbraw/zinc/35/12/57/407351257.db2.gz YDUCJNUWQNOVQC-HOGDKLEQSA-N -1 3 320.392 1.030 20 5 DDBDHM CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185873635 407527070 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DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284121902 409278898 /nfs/dbraw/zinc/27/88/98/409278898.db2.gz CLGXFPBPRXHUIP-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM Cn1nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1C1CC1 ZINC000290573219 409449243 /nfs/dbraw/zinc/44/92/43/409449243.db2.gz OOBDKVMFNPQQGS-UHFFFAOYSA-N -1 3 303.278 1.559 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342500971 409681884 /nfs/dbraw/zinc/68/18/84/409681884.db2.gz DVBBWYALXTXIEM-IONNQARKSA-N -1 3 320.392 1.811 20 5 DDBDHM CC[C@@H](C)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000297011630 409761390 /nfs/dbraw/zinc/76/13/90/409761390.db2.gz RBWIBTJHQNLGMX-SNVBAGLBSA-N -1 3 308.338 1.252 20 5 DDBDHM CCCn1[n-]cc/c1=N\C(=O)COc1ccccc1[N+](=O)[O-] ZINC000298772792 410393197 /nfs/dbraw/zinc/39/31/97/410393197.db2.gz BJMIMRNXYXIBCH-DTQAZKPQSA-N -1 3 304.306 1.641 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339774777 410451152 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/nfs/dbraw/zinc/50/56/11/421505611.db2.gz IGKUMSAMSGPHQM-UHFFFAOYSA-N -1 3 304.262 1.286 20 5 DDBDHM CO[C@H]1C[C@@H](CC(=O)[O-])N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516575886 421554261 /nfs/dbraw/zinc/55/42/61/421554261.db2.gz FQPDGDZQKVARHE-JSGCOSHPSA-N -1 3 324.333 1.538 20 5 DDBDHM Cc1ncc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000345119536 272176093 /nfs/dbraw/zinc/17/60/93/272176093.db2.gz GBEIGJCTBUQYBI-UHFFFAOYSA-N -1 3 306.253 1.468 20 5 DDBDHM CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000245779711 290239414 /nfs/dbraw/zinc/23/94/14/290239414.db2.gz YQLNZYDJEWKHBC-FZMZJTMJSA-N -1 3 319.361 1.857 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000268157664 300233293 /nfs/dbraw/zinc/23/32/93/300233293.db2.gz HKCYPDYMQWWXHZ-CABZTGNLSA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1cc(C(=O)N2CCC[C@@]23CCOC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370743436 307135024 /nfs/dbraw/zinc/13/50/24/307135024.db2.gz YOUFHBVXGLRXJX-AWEZNQCLSA-N -1 3 307.306 1.399 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451978161 534211406 /nfs/dbraw/zinc/21/14/06/534211406.db2.gz OKUQMJHUEXGVLB-LBPRGKRZSA-N -1 3 314.363 1.607 20 5 DDBDHM CCOC(=O)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000433679687 528737737 /nfs/dbraw/zinc/73/77/37/528737737.db2.gz MBJOUWOPFSGRFG-UHFFFAOYSA-N -1 3 316.335 1.135 20 5 DDBDHM CS[C@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737173723 598854089 /nfs/dbraw/zinc/85/40/89/598854089.db2.gz ZZPLLTRERVGZMF-RDDDGLTNSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737173723 598854091 /nfs/dbraw/zinc/85/40/91/598854091.db2.gz ZZPLLTRERVGZMF-RDDDGLTNSA-N -1 3 324.366 1.299 20 5 DDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000820455072 599043227 /nfs/dbraw/zinc/04/32/27/599043227.db2.gz BXRMNDGAXQLLST-SCZZXKLOSA-N -1 3 304.310 1.612 20 5 DDBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000820455072 599043230 /nfs/dbraw/zinc/04/32/30/599043230.db2.gz BXRMNDGAXQLLST-SCZZXKLOSA-N -1 3 304.310 1.612 20 5 DDBDHM COC(=O)C[C@@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736913095 599063502 /nfs/dbraw/zinc/06/35/02/599063502.db2.gz YEJNOZXQBXHDFW-ZCFIWIBFSA-N -1 3 324.322 1.214 20 5 DDBDHM O=c1c([N+](=O)[O-])cccn1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000738370304 598316260 /nfs/dbraw/zinc/31/62/60/598316260.db2.gz BHHVLWXTYQRZCT-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=c1c([N+](=O)[O-])cccn1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000738370304 598316262 /nfs/dbraw/zinc/31/62/62/598316262.db2.gz BHHVLWXTYQRZCT-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821678765 599687890 /nfs/dbraw/zinc/68/78/90/599687890.db2.gz RXCQOBZEZKTTRB-JTQLQIEISA-N -1 3 307.314 1.253 20 5 DDBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821678765 599687891 /nfs/dbraw/zinc/68/78/91/599687891.db2.gz RXCQOBZEZKTTRB-JTQLQIEISA-N -1 3 307.314 1.253 20 5 DDBDHM CC(C)(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819906411 607468708 /nfs/dbraw/zinc/46/87/08/607468708.db2.gz GBOPQZARGYUZKB-VIFPVBQESA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819906411 607468710 /nfs/dbraw/zinc/46/87/10/607468710.db2.gz GBOPQZARGYUZKB-VIFPVBQESA-N -1 3 320.353 1.984 20 5 DDBDHM CC1CCN(CCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)CC1 ZINC000828289548 601817338 /nfs/dbraw/zinc/81/73/38/601817338.db2.gz IJWWGZFUCCDXKX-UHFFFAOYSA-N -1 3 309.322 1.187 20 5 DDBDHM COCCN(CC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000818539464 602263196 /nfs/dbraw/zinc/26/31/96/602263196.db2.gz NCNGWOVZBGTCDR-UHFFFAOYSA-N -1 3 302.714 1.781 20 5 DDBDHM CC[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820903451 606723099 /nfs/dbraw/zinc/72/30/99/606723099.db2.gz UYCSISBCPGWCFT-VIFPVBQESA-N -1 3 306.326 1.595 20 5 DDBDHM CC[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820903451 606723101 /nfs/dbraw/zinc/72/31/01/606723101.db2.gz UYCSISBCPGWCFT-VIFPVBQESA-N -1 3 306.326 1.595 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(n2ccnc2)C1 ZINC000823629693 607017626 /nfs/dbraw/zinc/01/76/26/607017626.db2.gz FDULRPKLHNRDBE-UHFFFAOYSA-N -1 3 312.293 1.033 20 5 DDBDHM CC(C)(C)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735589840 609313857 /nfs/dbraw/zinc/31/38/57/609313857.db2.gz PTCYCQADXKHIPM-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)(C)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735589840 609313858 /nfs/dbraw/zinc/31/38/58/609313858.db2.gz PTCYCQADXKHIPM-LLVKDONJSA-N -1 3 306.326 1.594 20 5 DDBDHM Cc1nn(Cc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826334644 609499309 /nfs/dbraw/zinc/49/93/09/609499309.db2.gz CYAIRRUTKFZGNB-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM Cc1nn(Cc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826334644 609499311 /nfs/dbraw/zinc/49/93/11/609499311.db2.gz CYAIRRUTKFZGNB-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM COc1cc(CNC[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000733330428 699588952 /nfs/dbraw/zinc/58/89/52/699588952.db2.gz ZDQDPNOOQRATDP-LLVKDONJSA-N -1 3 324.255 1.976 20 5 DDBDHM CC(C)N1C(=S)N=NC1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853347791 704235841 /nfs/dbraw/zinc/23/58/41/704235841.db2.gz QDDYCNWJUDEOKC-UHFFFAOYSA-N -1 3 324.366 1.811 20 5 DDBDHM O=c1[n-]ccc(N2CCN(c3cccc(F)n3)CC2)c1[N+](=O)[O-] ZINC000853661876 704294956 /nfs/dbraw/zinc/29/49/56/704294956.db2.gz COLGJYXPVQKJMV-UHFFFAOYSA-N -1 3 319.296 1.556 20 5 DDBDHM CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000874829595 705188220 /nfs/dbraw/zinc/18/82/20/705188220.db2.gz MPNFDKCGXGVBQX-KGLIPLIRSA-N -1 3 305.334 1.609 20 5 DDBDHM CC(C)=CC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112025084 736718779 /nfs/dbraw/zinc/71/87/79/736718779.db2.gz QRLXFMQJSGIYBQ-UHFFFAOYSA-N -1 3 322.365 1.946 20 5 DDBDHM O=C(N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001059458859 740956713 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O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC=CCC1 ZINC001093660045 774957752 /nfs/dbraw/zinc/95/77/52/774957752.db2.gz ZARYYPKLQMATIP-UHFFFAOYSA-N -1 3 320.349 1.970 20 5 DDBDHM Cc1nocc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094743349 776241827 /nfs/dbraw/zinc/24/18/27/776241827.db2.gz QDASAHZQHUAIFS-UHFFFAOYSA-N -1 3 321.293 1.224 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cscn1 ZINC001101519061 777203736 /nfs/dbraw/zinc/20/37/36/777203736.db2.gz ONONYROJDCKTLL-UHFFFAOYSA-N -1 3 323.334 1.336 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CCC1 ZINC001101550261 777240315 /nfs/dbraw/zinc/24/03/15/777240315.db2.gz ZJZZLIMMSZOPMB-UHFFFAOYSA-N -1 3 308.338 1.756 20 5 DDBDHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001175080461 777685431 /nfs/dbraw/zinc/68/54/31/777685431.db2.gz XSJPVFLZJYZACM-AWEZNQCLSA-N -1 3 316.317 1.448 20 5 DDBDHM COc1c([O-])ccc(CN2CCn3nc(C)nc3C2)c1[N+](=O)[O-] ZINC001179957834 779578868 /nfs/dbraw/zinc/57/88/68/779578868.db2.gz 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COc1cnc(=O)[n-]c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226823694 882672501 /nfs/dbraw/zinc/67/25/01/882672501.db2.gz VVVASUDKGORFDR-NSHDSACASA-N -1 3 303.274 1.645 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001346700590 873853907 /nfs/dbraw/zinc/85/39/07/873853907.db2.gz BCOUUPXYAUGCAJ-AYMMMOKOSA-N -1 3 318.301 1.917 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H](C)O ZINC000451899092 529644552 /nfs/dbraw/zinc/64/45/52/529644552.db2.gz WMOIRCLZJGCOLM-SVRRBLITSA-N -1 3 308.381 1.402 20 5 DDBDHM CN(C)c1cc(F)c(C(=O)[N-]c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000294649108 529773014 /nfs/dbraw/zinc/77/30/14/529773014.db2.gz QRIRSMFSRPBLKW-UHFFFAOYSA-N -1 3 308.273 1.181 20 5 DDBDHM O=C([N-]OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000188002898 186242280 /nfs/dbraw/zinc/24/22/80/186242280.db2.gz GAMJGDPCWQJLSE-MRVPVSSYSA-N -1 3 300.698 1.946 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(C)C ZINC000032401642 352279257 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)nc1 ZINC000593564203 355927220 /nfs/dbraw/zinc/92/72/20/355927220.db2.gz MKMGMSUPKBNHSH-RTYFJBAXSA-N -1 3 311.363 1.847 20 5 DDBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574192 355931392 /nfs/dbraw/zinc/93/13/92/355931392.db2.gz MMSGFFSCQGQPIB-VIFPVBQESA-N -1 3 317.367 1.065 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)nc1 ZINC000593595194 355936370 /nfs/dbraw/zinc/93/63/70/355936370.db2.gz CTTPJQDPLIJOTI-VIFPVBQESA-N -1 3 317.392 1.411 20 5 DDBDHM COCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594742536 356304808 /nfs/dbraw/zinc/30/48/08/356304808.db2.gz OFWXBOCJPHQUOO-UHFFFAOYSA-N -1 3 311.319 1.068 20 5 DDBDHM O=C([O-])[C@]12COC[C@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595884118 356691265 /nfs/dbraw/zinc/69/12/65/356691265.db2.gz GJJDWXJYVQBITF-IAQYHMDHSA-N -1 3 322.317 1.007 20 5 DDBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596142114 356789877 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Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ncn1 ZINC000611134026 360632051 /nfs/dbraw/zinc/63/20/51/360632051.db2.gz MVSYFGGFTJZZNU-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612539722 361058426 /nfs/dbraw/zinc/05/84/26/361058426.db2.gz OJSFAGFFQUSQPK-GFCCVEGCSA-N -1 3 305.334 1.515 20 5 DDBDHM O=[N+]([O-])c1ccccc1NCCNc1nc2nncc-2c(O)[n-]1 ZINC000106463007 194216754 /nfs/dbraw/zinc/21/67/54/194216754.db2.gz LLABIFMGAGTPAN-UHFFFAOYSA-N -1 3 315.293 1.078 20 5 DDBDHM NC(=O)[N-]C(=O)OCCCSc1ncccc1[N+](=O)[O-] ZINC000270112109 208170739 /nfs/dbraw/zinc/17/07/39/208170739.db2.gz HRRXHDLXTRSJCP-UHFFFAOYSA-N -1 3 300.296 1.277 20 5 DDBDHM Cn1cnc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000352589817 285160421 /nfs/dbraw/zinc/16/04/21/285160421.db2.gz VASZUDOCDDDSHY-UHFFFAOYSA-N -1 3 313.273 1.834 20 5 DDBDHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120611125 195201071 /nfs/dbraw/zinc/20/10/71/195201071.db2.gz 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)CCO ZINC000097444677 407293551 /nfs/dbraw/zinc/29/35/51/407293551.db2.gz HRFZHPVNIYJOQF-SECBINFHSA-N -1 3 302.352 1.200 20 5 DDBDHM COC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124763122 407368303 /nfs/dbraw/zinc/36/83/03/407368303.db2.gz PDPCUQNGJSVELX-UHFFFAOYSA-N -1 3 308.381 1.668 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000178650436 407529312 /nfs/dbraw/zinc/52/93/12/407529312.db2.gz PMJJUDFJPVKXBU-NXEZZACHSA-N -1 3 320.754 1.440 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000186257083 407623477 /nfs/dbraw/zinc/62/34/77/407623477.db2.gz WEYDNISGGHGNNL-SSDOTTSWSA-N -1 3 318.326 1.819 20 5 DDBDHM CCNC(=O)[C@@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272120993 407783158 /nfs/dbraw/zinc/78/31/58/407783158.db2.gz SGAOHSFOQXLMGV-MRVPVSSYSA-N -1 3 315.276 1.327 20 5 DDBDHM Cc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1 ZINC000264062850 408355639 /nfs/dbraw/zinc/35/56/39/408355639.db2.gz GYOVJMBYLKSPBR-UHFFFAOYSA-N -1 3 305.250 1.045 20 5 DDBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164749043 408804411 /nfs/dbraw/zinc/80/44/11/408804411.db2.gz GDYOLSVFKMLGRO-PWSUYJOCSA-N -1 3 307.350 1.713 20 5 DDBDHM CC(C)[C@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000169055575 408819430 /nfs/dbraw/zinc/81/94/30/408819430.db2.gz DHPQNERICPENCQ-GFCCVEGCSA-N -1 3 302.352 1.031 20 5 DDBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nncn2C2CC2)c1[N+](=O)[O-] ZINC000285654533 408836377 /nfs/dbraw/zinc/83/63/77/408836377.db2.gz DZTBJZQAQSXLSO-UHFFFAOYSA-N -1 3 305.298 1.620 20 5 DDBDHM CCn1cnnc1[N-]C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285753648 408856770 /nfs/dbraw/zinc/85/67/70/408856770.db2.gz KAISQIBDTHVZOR-UHFFFAOYSA-N -1 3 309.257 1.363 20 5 DDBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000289437114 409272143 /nfs/dbraw/zinc/27/21/43/409272143.db2.gz DRXRNSSCTVSDDD-JTQLQIEISA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN(C)C)c1C ZINC000344939028 409568877 /nfs/dbraw/zinc/56/88/77/409568877.db2.gz MQNGNRKTJZTXHR-SNVBAGLBSA-N -1 3 315.395 1.440 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2nnn(C)c2C)cc([N+](=O)[O-])c1 ZINC000357086989 409859307 /nfs/dbraw/zinc/85/93/07/409859307.db2.gz VHMFCECDVLVXLL-UHFFFAOYSA-N -1 3 319.277 1.071 20 5 DDBDHM CNC(=O)c1ccc(NCc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC000343585425 410551854 /nfs/dbraw/zinc/55/18/54/410551854.db2.gz ARPZRPFYAZBKDT-UHFFFAOYSA-N -1 3 317.305 1.371 20 5 DDBDHM Cc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000340031438 410627105 /nfs/dbraw/zinc/62/71/05/410627105.db2.gz ANQNXZOFQRZZMB-UHFFFAOYSA-N -1 3 303.274 1.409 20 5 DDBDHM CC(C)c1[nH]nc(-c2nc(-c3cc(=O)[n-]cn3)no2)c1[N+](=O)[O-] ZINC000351368151 306764962 /nfs/dbraw/zinc/76/49/62/306764962.db2.gz KCTQMEOHUPUODD-UHFFFAOYSA-N -1 3 317.265 1.654 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000191858226 222111267 /nfs/dbraw/zinc/11/12/67/222111267.db2.gz UEEKRSQPIFXPHO-UHFFFAOYSA-N -1 3 308.269 1.586 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)O ZINC000386758150 418741227 /nfs/dbraw/zinc/74/12/27/418741227.db2.gz HWUJIRKYRFZRGJ-WPRPVWTQSA-N -1 3 318.351 1.041 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000425232087 228395350 /nfs/dbraw/zinc/39/53/50/228395350.db2.gz FAIWORFPVPZZCI-ILWJIGKKSA-N -1 3 312.347 1.680 20 5 DDBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000436972834 420388917 /nfs/dbraw/zinc/38/89/17/420388917.db2.gz QEBNOZNQYNYRSQ-LBPRGKRZSA-N -1 3 305.334 1.609 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000492821259 420675739 /nfs/dbraw/zinc/67/57/39/420675739.db2.gz DEXPFXGBRIIFNR-SREVYHEPSA-N -1 3 316.273 1.756 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000492821259 420675741 /nfs/dbraw/zinc/67/57/41/420675741.db2.gz DEXPFXGBRIIFNR-SREVYHEPSA-N -1 3 316.273 1.756 20 5 DDBDHM CNc1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)ccc1[N+](=O)[O-] ZINC000456002041 421086791 /nfs/dbraw/zinc/08/67/91/421086791.db2.gz HCWNYCKJVZJYBL-UHFFFAOYSA-N -1 3 317.309 1.669 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563038360 421444237 /nfs/dbraw/zinc/44/42/37/421444237.db2.gz LEPSHRTZYLNNKN-LLVKDONJSA-N -1 3 317.349 1.793 20 5 DDBDHM CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)[C@H]2C1 ZINC000563204341 421471189 /nfs/dbraw/zinc/47/11/89/421471189.db2.gz BOTCAGDUFYSTHG-HZMBPMFUSA-N -1 3 305.334 1.823 20 5 DDBDHM Cc1cc(N2CCN(C(C)(C)C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000515386026 421497827 /nfs/dbraw/zinc/49/78/27/421497827.db2.gz FJPBBXMRMAGVLD-UHFFFAOYSA-N -1 3 308.338 1.283 20 5 DDBDHM CN(C)CCn1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000573933628 422037611 /nfs/dbraw/zinc/03/76/11/422037611.db2.gz WJAUOXKRHPFCSX-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000316245912 271016576 /nfs/dbraw/zinc/01/65/76/271016576.db2.gz GXURLCHNGYXXHF-LBPRGKRZSA-N -1 3 314.363 1.343 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000316359247 271018284 /nfs/dbraw/zinc/01/82/84/271018284.db2.gz SLRNTAPDFBXKLE-ZDUSSCGKSA-N -1 3 314.363 1.175 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000522263274 302888038 /nfs/dbraw/zinc/88/80/38/302888038.db2.gz BSSZVYQIUYRIFS-LBPRGKRZSA-N -1 3 304.306 1.145 20 5 DDBDHM Nc1c(F)c(N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000357684296 306906392 /nfs/dbraw/zinc/90/63/92/306906392.db2.gz KPJPTTBGSQELSU-UHFFFAOYSA-N -1 3 305.269 1.374 20 5 DDBDHM COc1cc(CNC[C@]2(OC)CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000359622480 306958251 /nfs/dbraw/zinc/95/82/51/306958251.db2.gz GYWHKZLILUTZTA-CQSZACIVSA-N -1 3 312.322 1.204 20 5 DDBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000532096020 307624900 /nfs/dbraw/zinc/62/49/00/307624900.db2.gz HXPUCJVTWBIHND-ZETCQYMHSA-N -1 3 312.307 1.326 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)C[C@H](C(=O)[O-])C2)n1 ZINC000583324922 337316163 /nfs/dbraw/zinc/31/61/63/337316163.db2.gz QMTFPCLEEICHKR-NSHDSACASA-N -1 3 308.338 1.059 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cscn1 ZINC000158034355 527405415 /nfs/dbraw/zinc/40/54/15/527405415.db2.gz CFAKYTJHBAVOPB-UHFFFAOYSA-N -1 3 313.360 1.572 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCC[C@H]1O ZINC000738358529 599325292 /nfs/dbraw/zinc/32/52/92/599325292.db2.gz MTYZCQDUCSFRBC-JOYOIKCWSA-N -1 3 304.310 1.348 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[C@H]1O ZINC000738358529 599325295 /nfs/dbraw/zinc/32/52/95/599325295.db2.gz MTYZCQDUCSFRBC-JOYOIKCWSA-N -1 3 304.310 1.348 20 5 DDBDHM CN(C[C@@H]1CCCOC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736790309 598468516 /nfs/dbraw/zinc/46/85/16/598468516.db2.gz GSNFVIQEXKPOEJ-VIFPVBQESA-N -1 3 319.325 1.033 20 5 DDBDHM CN(C[C@@H]1CCCOC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736790309 598468517 /nfs/dbraw/zinc/46/85/17/598468517.db2.gz GSNFVIQEXKPOEJ-VIFPVBQESA-N -1 3 319.325 1.033 20 5 DDBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736404943 598677554 /nfs/dbraw/zinc/67/75/54/598677554.db2.gz CCIYPLMVFTXGRM-SCZZXKLOSA-N -1 3 319.325 1.174 20 5 DDBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736404943 598677556 /nfs/dbraw/zinc/67/75/56/598677556.db2.gz CCIYPLMVFTXGRM-SCZZXKLOSA-N -1 3 319.325 1.174 20 5 DDBDHM COC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736970626 598817526 /nfs/dbraw/zinc/81/75/26/598817526.db2.gz DICSJKFSDSLKCN-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM COC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736970626 598817528 /nfs/dbraw/zinc/81/75/28/598817528.db2.gz DICSJKFSDSLKCN-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM Cc1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC000737478738 599348565 /nfs/dbraw/zinc/34/85/65/599348565.db2.gz XPSAWBUFCOQOMY-UHFFFAOYSA-N -1 3 302.254 1.078 20 5 DDBDHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC000737478738 599348568 /nfs/dbraw/zinc/34/85/68/599348568.db2.gz XPSAWBUFCOQOMY-UHFFFAOYSA-N -1 3 302.254 1.078 20 5 DDBDHM CSC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821949805 599357725 /nfs/dbraw/zinc/35/77/25/599357725.db2.gz JDILVXDXTZECTD-UHFFFAOYSA-N -1 3 309.355 1.723 20 5 DDBDHM CSC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821949805 599357728 /nfs/dbraw/zinc/35/77/28/599357728.db2.gz JDILVXDXTZECTD-UHFFFAOYSA-N -1 3 309.355 1.723 20 5 DDBDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000825263214 604212204 /nfs/dbraw/zinc/21/22/04/604212204.db2.gz FOYSTCLQFLZMFD-GHMZBOCLSA-N -1 3 311.342 1.159 20 5 DDBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCCCC1 ZINC000772318336 697620538 /nfs/dbraw/zinc/62/05/38/697620538.db2.gz MPINWJYOJSXSBK-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM O=C1[N-]C(=O)C(=CNc2ncc([N+](=O)[O-])s2)c2ccccc21 ZINC000255024887 698410856 /nfs/dbraw/zinc/41/08/56/698410856.db2.gz FCFAORBXZOARJG-UITAMQMPSA-N -1 3 316.298 1.774 20 5 DDBDHM O=C([O-])CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000844215932 702993707 /nfs/dbraw/zinc/99/37/07/702993707.db2.gz LJCIUTOOMJZPHV-UHFFFAOYSA-N -1 3 316.317 1.350 20 5 DDBDHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CO1 ZINC000848593295 703567207 /nfs/dbraw/zinc/56/72/07/703567207.db2.gz DIQZMYVIWCYNGW-IUCAKERBSA-N -1 3 316.260 1.860 20 5 DDBDHM CCOC(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853255426 704226034 /nfs/dbraw/zinc/22/60/34/704226034.db2.gz DORVSOBEOKFPNH-UHFFFAOYSA-N -1 3 324.337 1.753 20 5 DDBDHM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1(C)C ZINC000871156145 704233250 /nfs/dbraw/zinc/23/32/50/704233250.db2.gz PSNHATNAPFLGRG-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM CC(C)[C@@H](CO)O[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000836887241 707538665 /nfs/dbraw/zinc/53/86/65/707538665.db2.gz CVKNYZXVUJKDMT-CQSZACIVSA-N -1 3 324.333 1.622 20 5 DDBDHM CCN1CC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882766714 707782860 /nfs/dbraw/zinc/78/28/60/707782860.db2.gz OUYFGCWXQUEIIH-JTQLQIEISA-N -1 3 317.342 1.106 20 5 DDBDHM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000921494476 713787857 /nfs/dbraw/zinc/78/78/57/713787857.db2.gz IGZXFHDJKBRIHJ-XCBNKYQSSA-N -1 3 320.754 1.561 20 5 DDBDHM Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1ccccc1[O-] ZINC001093482873 774731014 /nfs/dbraw/zinc/73/10/14/774731014.db2.gz STRRDTCJIKLMJE-UHFFFAOYSA-N -1 3 316.317 1.846 20 5 DDBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC001094289044 775689533 /nfs/dbraw/zinc/68/95/33/775689533.db2.gz ACSRBBASIYZSJR-UHFFFAOYSA-N -1 3 322.346 1.989 20 5 DDBDHM CC(C)=C(F)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094382014 775828883 /nfs/dbraw/zinc/82/88/83/775828883.db2.gz LLDMGWUNDAOVPY-UHFFFAOYSA-N -1 3 312.301 1.877 20 5 DDBDHM CCC(=O)NCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001103667088 778985360 /nfs/dbraw/zinc/98/53/60/778985360.db2.gz ANORBGADYSNLTG-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM COc1nc([N-][C@H]2C(=O)Nc3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001155102146 861734952 /nfs/dbraw/zinc/73/49/52/861734952.db2.gz OZOZPKHWCCYPPH-LLVKDONJSA-N -1 3 315.289 1.807 20 5 DDBDHM Cc1cncc([N+](=O)[O-])c1NCc1nc(C(F)(F)F)n[n-]1 ZINC001322546025 868237786 /nfs/dbraw/zinc/23/77/86/868237786.db2.gz KGNLOXYYHMAWDT-UHFFFAOYSA-N -1 3 302.216 1.469 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@@H](C)O)c([N+](=O)[O-])s1 ZINC001309922083 871609045 /nfs/dbraw/zinc/60/90/45/871609045.db2.gz DFMSUMMLSVTYHT-MRVPVSSYSA-N -1 3 322.408 1.650 20 5 DDBDHM CN(CC(C)(C)C)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001344180018 872914528 /nfs/dbraw/zinc/91/45/28/872914528.db2.gz NLANBDLWRUBPMI-UHFFFAOYSA-N -1 3 320.353 1.973 20 5 DDBDHM COC(=O)c1nsnc1[N-]c1cnc(OC)c([N+](=O)[O-])c1 ZINC001210136341 875241638 /nfs/dbraw/zinc/24/16/38/875241638.db2.gz JRIGNCFZUCJFKV-UHFFFAOYSA-N -1 3 311.279 1.380 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc[nH]n2)c([N+](=O)[O-])s1 ZINC001211407382 875792476 /nfs/dbraw/zinc/79/24/76/875792476.db2.gz UWKLFBJQMRKFFV-ZCFIWIBFSA-N -1 3 317.352 1.122 20 5 DDBDHM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001213499015 875955215 /nfs/dbraw/zinc/95/52/15/875955215.db2.gz PHWCCVLOAGYVJO-ZCFIWIBFSA-N -1 3 322.364 1.195 20 5 DDBDHM CCN1CC[C@@H](Oc2cc([O-])c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808570 883679436 /nfs/dbraw/zinc/67/94/36/883679436.db2.gz CBCBNWVUYDESCG-SECBINFHSA-N -1 3 310.306 1.560 20 5 DDBDHM CN(C)Cc1csc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001307211512 916467581 /nfs/dbraw/zinc/46/75/81/916467581.db2.gz HFCKDGPGMNHLPC-UHFFFAOYSA-N -1 3 309.351 1.826 20 5 DDBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000156147702 290708390 /nfs/dbraw/zinc/70/83/90/290708390.db2.gz QKIYHXVVUXXTLL-LBPRGKRZSA-N -1 3 318.326 1.581 20 5 DDBDHM Cc1sc(C(=O)[N-]c2nc(C(N)=O)cs2)cc1[N+](=O)[O-] ZINC000118705494 282476899 /nfs/dbraw/zinc/47/68/99/282476899.db2.gz QEEIFJWPORHVEU-UHFFFAOYSA-N -1 3 312.332 1.772 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000492106190 234386224 /nfs/dbraw/zinc/38/62/24/234386224.db2.gz YGGMBRBUAHRBJH-QPJJXVBHSA-N -1 3 316.273 1.756 20 5 DDBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000147095430 354163634 /nfs/dbraw/zinc/16/36/34/354163634.db2.gz LIBDCCUMWXDIPD-JTQLQIEISA-N -1 3 302.352 1.607 20 5 DDBDHM CCOc1cc([O-])ccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000276993187 213226071 /nfs/dbraw/zinc/22/60/71/213226071.db2.gz WSVSWESNDGPVTC-UHFFFAOYSA-N -1 3 320.305 1.993 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000590590567 355122403 /nfs/dbraw/zinc/12/24/03/355122403.db2.gz ZGJIBRKUGQFGPN-VIFPVBQESA-N -1 3 318.326 1.500 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000593571006 355929506 /nfs/dbraw/zinc/92/95/06/355929506.db2.gz DKUMVWIKUDPZHC-ZJUUUORDSA-N -1 3 315.351 1.083 20 5 DDBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574730 355930880 /nfs/dbraw/zinc/93/08/80/355930880.db2.gz WKYCILVTNGJPGJ-MRVPVSSYSA-N -1 3 305.381 1.410 20 5 DDBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595357114 356463084 /nfs/dbraw/zinc/46/30/84/356463084.db2.gz YNHHWJOUKPHQHY-NSHDSACASA-N -1 3 313.379 1.357 20 5 DDBDHM Cn1[n-]c([C@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])nc1=N ZINC000595469991 356505671 /nfs/dbraw/zinc/50/56/71/356505671.db2.gz LFWTWAMNBRAEPB-LLVKDONJSA-N -1 3 320.328 1.612 20 5 DDBDHM COC(=O)c1cc(C(=O)[N-]c2n[nH]c(C)n2)cc([N+](=O)[O-])c1 ZINC000348065636 283351418 /nfs/dbraw/zinc/35/14/18/283351418.db2.gz BTTQUUYYYKCKDG-UHFFFAOYSA-N -1 3 305.250 1.060 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601414900 358542068 /nfs/dbraw/zinc/54/20/68/358542068.db2.gz LSZPSSKRXANRQN-POYBYMJQSA-N -1 3 322.433 1.995 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])s1 ZINC000601434336 358551739 /nfs/dbraw/zinc/55/17/39/358551739.db2.gz GKUYUOAQFDKQNQ-APPZFPTMSA-N -1 3 320.392 1.811 20 5 DDBDHM Cc1cc(C[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000187196546 200075733 /nfs/dbraw/zinc/07/57/33/200075733.db2.gz IZJSFWKEOVWLIT-ZETCQYMHSA-N -1 3 305.294 1.088 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(C)(C)O)c1C ZINC000611020723 360604642 /nfs/dbraw/zinc/60/46/42/360604642.db2.gz FOXSNOIYGOVRDK-JTQLQIEISA-N -1 3 316.379 1.649 20 5 DDBDHM C[C@H]1[C@@H](N2CCOCC2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339201371 291284471 /nfs/dbraw/zinc/28/44/71/291284471.db2.gz GQJMSOCKENHBQK-WFASDCNBSA-N -1 3 321.377 1.595 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000046034364 248198391 /nfs/dbraw/zinc/19/83/91/248198391.db2.gz HJAZFXKQPBZVCM-JTQLQIEISA-N -1 3 300.336 1.218 20 5 DDBDHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000173982476 248352164 /nfs/dbraw/zinc/35/21/64/248352164.db2.gz SZJQAHZGIQZEEJ-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000339167507 250323855 /nfs/dbraw/zinc/32/38/55/250323855.db2.gz WZQCBVCXAHZGJF-UHFFFAOYSA-N -1 3 311.294 1.607 20 5 DDBDHM CCC[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000285236777 218344773 /nfs/dbraw/zinc/34/47/73/218344773.db2.gz GKEMSRPIVYUXML-CYBMUJFWSA-N -1 3 314.363 1.832 20 5 DDBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000285292192 218368869 /nfs/dbraw/zinc/36/88/69/218368869.db2.gz GNXZGXCBWZQIRI-SSDOTTSWSA-N -1 3 311.323 1.061 20 5 DDBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCNC1 ZINC000193351465 285117576 /nfs/dbraw/zinc/11/75/76/285117576.db2.gz RSSWRDBPSJZXGF-VIFPVBQESA-N -1 3 319.770 1.279 20 5 DDBDHM COc1nc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[n-]1 ZINC000352681929 285221911 /nfs/dbraw/zinc/22/19/11/285221911.db2.gz IVOCCCADTFUSIY-UHFFFAOYSA-N -1 3 316.277 1.315 20 5 DDBDHM COc1nnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[n-]1 ZINC000352681929 285221916 /nfs/dbraw/zinc/22/19/16/285221916.db2.gz IVOCCCADTFUSIY-UHFFFAOYSA-N -1 3 316.277 1.315 20 5 DDBDHM COc1n[n-]c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000352681929 285221919 /nfs/dbraw/zinc/22/19/19/285221919.db2.gz IVOCCCADTFUSIY-UHFFFAOYSA-N -1 3 316.277 1.315 20 5 DDBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OC ZINC000289422643 220960961 /nfs/dbraw/zinc/96/09/61/220960961.db2.gz CIVQZKAIODKBKG-JTQLQIEISA-N -1 3 318.351 1.307 20 5 DDBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000289633610 221117615 /nfs/dbraw/zinc/11/76/15/221117615.db2.gz SBHLKOSRWARAFI-HTQZYQBOSA-N -1 3 306.315 1.436 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c(Cl)c1 ZINC000071305052 406837653 /nfs/dbraw/zinc/83/76/53/406837653.db2.gz NHKGXEGAHAUOPK-JTQLQIEISA-N -1 3 320.754 1.297 20 5 DDBDHM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000014249452 406874264 /nfs/dbraw/zinc/87/42/64/406874264.db2.gz BNYYONPWHBPPSX-UHFFFAOYSA-N -1 3 324.362 1.424 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000048673584 407105054 /nfs/dbraw/zinc/10/50/54/407105054.db2.gz RKJKIKOTSYSHGM-JTQLQIEISA-N -1 3 300.336 1.300 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000048979219 407111658 /nfs/dbraw/zinc/11/16/58/407111658.db2.gz OJBBZBMUNDOABI-MRVPVSSYSA-N -1 3 320.754 1.563 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)CO)cc1C ZINC000086630819 407113398 /nfs/dbraw/zinc/11/33/98/407113398.db2.gz GMIXLTWCJUBSMQ-QMMMGPOBSA-N -1 3 302.352 1.118 20 5 DDBDHM C[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000097445021 407293965 /nfs/dbraw/zinc/29/39/65/407293965.db2.gz MWZOBTFGZZJSOZ-MRVPVSSYSA-N -1 3 306.315 1.031 20 5 DDBDHM COc1cc(N2CCc3nc[n-]c(=O)c3C2)c(F)cc1[N+](=O)[O-] ZINC000271097738 407514546 /nfs/dbraw/zinc/51/45/46/407514546.db2.gz NPOWDZLVHYOKGW-UHFFFAOYSA-N -1 3 320.280 1.801 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCOC2)cc1C ZINC000171540092 407698413 /nfs/dbraw/zinc/69/84/13/407698413.db2.gz WENYFWNHOYXMGE-NSHDSACASA-N -1 3 314.363 1.669 20 5 DDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000180871959 407926334 /nfs/dbraw/zinc/92/63/34/407926334.db2.gz DMUPHVJELQDKEI-UHFFFAOYSA-N -1 3 305.265 1.952 20 5 DDBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189998700 408140920 /nfs/dbraw/zinc/14/09/20/408140920.db2.gz DCRCFFMQDNVBOQ-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCCO)c1[N+](=O)[O-] ZINC000190068945 408156638 /nfs/dbraw/zinc/15/66/38/408156638.db2.gz LTXAVKMRCBHENU-NSHDSACASA-N -1 3 316.379 1.651 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(CO)CCC2)c1[N+](=O)[O-] ZINC000190109160 408168574 /nfs/dbraw/zinc/16/85/74/408168574.db2.gz NCVNHBLXKMIOPD-UHFFFAOYSA-N -1 3 314.363 1.405 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000274704213 408503478 /nfs/dbraw/zinc/50/34/78/408503478.db2.gz VPWCMXDSLPVRJH-VIFPVBQESA-N -1 3 318.326 1.500 20 5 DDBDHM CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000270943934 408751825 /nfs/dbraw/zinc/75/18/25/408751825.db2.gz NYCHMSJAVUGMMH-SSDOTTSWSA-N -1 3 320.309 1.428 20 5 DDBDHM C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280925367 408860014 /nfs/dbraw/zinc/86/00/14/408860014.db2.gz JXOROYGUVSMSIP-ZYHUDNBSSA-N -1 3 307.350 1.713 20 5 DDBDHM C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286905169 409000904 /nfs/dbraw/zinc/00/09/04/409000904.db2.gz COQKFBNTQHFMGI-YPMHNXCESA-N -1 3 319.361 1.999 20 5 DDBDHM C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287105847 409003806 /nfs/dbraw/zinc/00/38/06/409003806.db2.gz LOEGXVZPLWBILT-FZMZJTMJSA-N -1 3 319.361 1.999 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342543840 409709940 /nfs/dbraw/zinc/70/99/40/409709940.db2.gz FOYJDKORPGHBOV-NKWVEPMBSA-N -1 3 308.381 1.402 20 5 DDBDHM COc1cc(C(=O)[N-]c2nncs2)cc([N+](=O)[O-])c1OC ZINC000356659418 411119155 /nfs/dbraw/zinc/11/91/55/411119155.db2.gz BRTJDNOQMYDDPB-UHFFFAOYSA-N -1 3 310.291 1.716 20 5 DDBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000418110974 419538171 /nfs/dbraw/zinc/53/81/71/419538171.db2.gz KGESZPHNGHOCRE-NEPJUHHUSA-N -1 3 309.366 1.187 20 5 DDBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000439202548 420500019 /nfs/dbraw/zinc/50/00/19/420500019.db2.gz UFPDTMSJGZYPPK-UHFFFAOYSA-N -1 3 324.362 1.722 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000520803789 421762691 /nfs/dbraw/zinc/76/26/91/421762691.db2.gz OZTSPNDLRCZTKW-RKDXNWHRSA-N -1 3 316.335 1.059 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000559237293 421831456 /nfs/dbraw/zinc/83/14/56/421831456.db2.gz WPEZPMKFFHZKOJ-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000559237293 421831458 /nfs/dbraw/zinc/83/14/58/421831458.db2.gz WPEZPMKFFHZKOJ-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000344954896 272146276 /nfs/dbraw/zinc/14/62/76/272146276.db2.gz SFYNYEOCCJSAOA-LLVKDONJSA-N -1 3 315.395 1.440 20 5 DDBDHM CN1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)C1 ZINC000294240316 290004040 /nfs/dbraw/zinc/00/40/40/290004040.db2.gz RYLXIWRMDMWKIU-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286905155 297804161 /nfs/dbraw/zinc/80/41/61/297804161.db2.gz COQKFBNTQHFMGI-DGCLKSJQSA-N -1 3 319.361 1.999 20 5 DDBDHM COc1cc([O-])cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000353936927 298320131 /nfs/dbraw/zinc/32/01/31/298320131.db2.gz DLPLTAHZZKMLMD-UHFFFAOYSA-N -1 3 304.262 1.539 20 5 DDBDHM Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[n-]c(=O)n1 ZINC000356787210 298874868 /nfs/dbraw/zinc/87/48/68/298874868.db2.gz BZIVZVMMNUCMRN-UHFFFAOYSA-N -1 3 314.301 1.597 20 5 DDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000357214083 298998228 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/nfs/dbraw/zinc/64/21/39/407642139.db2.gz RNBYIBUIDGNXDR-MRVPVSSYSA-N -1 3 306.315 1.173 20 5 DDBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CN1C1CC1 ZINC000133602281 407863264 /nfs/dbraw/zinc/86/32/64/407863264.db2.gz OWUXTWUPTPOZQW-KOLCDFICSA-N -1 3 305.334 1.655 20 5 DDBDHM Cn1[n-]c([C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)nc1=N ZINC000571109145 304438386 /nfs/dbraw/zinc/43/83/86/304438386.db2.gz OVWCEJMVWCXMHU-MRVPVSSYSA-N -1 3 322.350 1.175 20 5 DDBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190185293 408185213 /nfs/dbraw/zinc/18/52/13/408185213.db2.gz PPVVJWDGLWOMMD-QWRGUYRKSA-N -1 3 316.379 1.913 20 5 DDBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175775679 408200867 /nfs/dbraw/zinc/20/08/67/408200867.db2.gz ZJDCKBBZRMVTCU-PWSUYJOCSA-N -1 3 307.350 1.713 20 5 DDBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000191049210 408364733 /nfs/dbraw/zinc/36/47/33/408364733.db2.gz JKSGBKPLRBQBEB-GHMZBOCLSA-N -1 3 314.363 1.749 20 5 DDBDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000269750442 408415292 /nfs/dbraw/zinc/41/52/92/408415292.db2.gz HFMDCEWWCFKOIV-SKDRFNHKSA-N -1 3 316.379 1.589 20 5 DDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2nn[n-]c21 ZINC000183466767 408419505 /nfs/dbraw/zinc/41/95/05/408419505.db2.gz VGMDIRHESFNXBJ-UHFFFAOYSA-N -1 3 311.301 1.839 20 5 DDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2[n-]nnc21 ZINC000183466767 408419512 /nfs/dbraw/zinc/41/95/12/408419512.db2.gz VGMDIRHESFNXBJ-UHFFFAOYSA-N -1 3 311.301 1.839 20 5 DDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2n[n-]nc21 ZINC000183466767 408419516 /nfs/dbraw/zinc/41/95/16/408419516.db2.gz VGMDIRHESFNXBJ-UHFFFAOYSA-N -1 3 311.301 1.839 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000276789989 408896948 /nfs/dbraw/zinc/89/69/48/408896948.db2.gz JILJJJCQFREVBR-LLVKDONJSA-N -1 3 314.363 1.261 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000193916306 163271030 /nfs/dbraw/zinc/27/10/30/163271030.db2.gz WKTCSERMWPAMIM-UHFFFAOYSA-N -1 3 302.352 1.928 20 5 DDBDHM Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292135930 408987168 /nfs/dbraw/zinc/98/71/68/408987168.db2.gz YKPBIOXNGMBJQC-UHFFFAOYSA-N -1 3 324.362 1.542 20 5 DDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279125039 409152996 /nfs/dbraw/zinc/15/29/96/409152996.db2.gz VFTXBLPRROWMNH-MEBBXXQBSA-N -1 3 318.333 1.330 20 5 DDBDHM CC/C=C/C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000295408818 409469791 /nfs/dbraw/zinc/46/97/91/409469791.db2.gz HMSHGYUGBHTJHJ-SNAWJCMRSA-N -1 3 300.336 1.848 20 5 DDBDHM CCOC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342497776 409677931 /nfs/dbraw/zinc/67/79/31/409677931.db2.gz XZCRHASGWBTRLW-UHFFFAOYSA-N -1 3 322.364 1.196 20 5 DDBDHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)ccc1[N+](=O)[O-] ZINC000339123230 410062120 /nfs/dbraw/zinc/06/21/20/410062120.db2.gz ODIMQLFULIQAGE-NXEZZACHSA-N -1 3 318.326 1.772 20 5 DDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2nn[n-]c21 ZINC000337427023 410778115 /nfs/dbraw/zinc/77/81/15/410778115.db2.gz ZFTBFNONDSDILA-UHFFFAOYSA-N -1 3 315.264 1.935 20 5 DDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2[n-]nnc21 ZINC000337427023 410778118 /nfs/dbraw/zinc/77/81/18/410778118.db2.gz ZFTBFNONDSDILA-UHFFFAOYSA-N -1 3 315.264 1.935 20 5 DDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2n[n-]nc21 ZINC000337427023 410778122 /nfs/dbraw/zinc/77/81/22/410778122.db2.gz ZFTBFNONDSDILA-UHFFFAOYSA-N -1 3 315.264 1.935 20 5 DDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc(=O)c([O-])co1 ZINC000356559258 411087627 /nfs/dbraw/zinc/08/76/27/411087627.db2.gz GKBFEJKFWJLSFR-UHFFFAOYSA-N -1 3 316.225 1.050 20 5 DDBDHM COc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000443199227 533681476 /nfs/dbraw/zinc/68/14/76/533681476.db2.gz SVLYUCZSBFTKRM-UHFFFAOYSA-N -1 3 323.330 1.477 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000431567421 229041944 /nfs/dbraw/zinc/04/19/44/229041944.db2.gz YEPCCHFQBSJIQK-UHFFFAOYSA-N -1 3 300.336 1.097 20 5 DDBDHM C[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1cccc([N+](=O)[O-])c1 ZINC000429672758 420034777 /nfs/dbraw/zinc/03/47/77/420034777.db2.gz SMSUACPTSPOFAB-SSDOTTSWSA-N -1 3 321.318 1.262 20 5 DDBDHM O=C(NC1CCN(C2CC2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000547757267 421364010 /nfs/dbraw/zinc/36/40/10/421364010.db2.gz JITMDFXOJSDGBL-UHFFFAOYSA-N -1 3 305.334 1.657 20 5 DDBDHM CCN(CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC000514939139 421468057 /nfs/dbraw/zinc/46/80/57/421468057.db2.gz KNKPYYAHTPKFSJ-UHFFFAOYSA-N -1 3 308.338 1.893 20 5 DDBDHM CNc1nccc(C(=O)[N-]c2ncc(C(C)=O)s2)c1[N+](=O)[O-] ZINC000553128075 421602762 /nfs/dbraw/zinc/60/27/62/421602762.db2.gz XXBRHIVIJLZJCG-UHFFFAOYSA-N -1 3 321.318 1.943 20 5 DDBDHM CCN1CCC[C@H]1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574210217 422078972 /nfs/dbraw/zinc/07/89/72/422078972.db2.gz OTRKTYOEZWTAML-JTQLQIEISA-N -1 3 308.338 1.893 20 5 DDBDHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286828723 278239730 /nfs/dbraw/zinc/23/97/30/278239730.db2.gz VTCCTCGWYOBRPW-QMMMGPOBSA-N -1 3 321.786 1.477 20 5 DDBDHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122005005 281148906 /nfs/dbraw/zinc/14/89/06/281148906.db2.gz FFIUAHAYOAPSOW-NSHDSACASA-N -1 3 320.342 1.419 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1cccnn1 ZINC000443933615 534887909 /nfs/dbraw/zinc/88/79/09/534887909.db2.gz HMUPQKGZBRARRA-UHFFFAOYSA-N -1 3 308.319 1.004 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000491846172 528153555 /nfs/dbraw/zinc/15/35/55/528153555.db2.gz MJVJFOMGYRYHNT-DGMVEKRQSA-N -1 3 316.317 1.236 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000738359456 598976913 /nfs/dbraw/zinc/97/69/13/598976913.db2.gz ROSVYLXPJGICEC-GWCFXTLKSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000738359456 598976915 /nfs/dbraw/zinc/97/69/15/598976915.db2.gz ROSVYLXPJGICEC-GWCFXTLKSA-N -1 3 318.337 1.738 20 5 DDBDHM CSC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737176595 598977087 /nfs/dbraw/zinc/97/70/87/598977087.db2.gz OFAMBXHJUDCDMO-MRVPVSSYSA-N -1 3 324.366 1.301 20 5 DDBDHM CSC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737176595 598977090 /nfs/dbraw/zinc/97/70/90/598977090.db2.gz OFAMBXHJUDCDMO-MRVPVSSYSA-N -1 3 324.366 1.301 20 5 DDBDHM COC(=O)C[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736910554 599063904 /nfs/dbraw/zinc/06/39/04/599063904.db2.gz FULXUQQZVWCBNN-ZETCQYMHSA-N -1 3 323.334 1.819 20 5 DDBDHM COC(=O)C[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736910554 599063907 /nfs/dbraw/zinc/06/39/07/599063907.db2.gz FULXUQQZVWCBNN-ZETCQYMHSA-N -1 3 323.334 1.819 20 5 DDBDHM Cc1cc(N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000833746057 605049964 /nfs/dbraw/zinc/04/99/64/605049964.db2.gz LOPZKTUGETXSIA-GFCCVEGCSA-N -1 3 307.350 1.888 20 5 DDBDHM O=C([O-])NC[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834225011 605817369 /nfs/dbraw/zinc/81/73/69/605817369.db2.gz MMSCIRPUTLEYCJ-GWCFXTLKSA-N -1 3 309.322 1.218 20 5 DDBDHM Cc1nonc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778283100 698256486 /nfs/dbraw/zinc/25/64/86/698256486.db2.gz ATPWWYFMGHVFTI-UHFFFAOYSA-N -1 3 312.232 1.694 20 5 DDBDHM C[C@@H](CN(C)c1nc2ccc([N+](=O)[O-])cc2s1)c1nnn[n-]1 ZINC000736002539 699715732 /nfs/dbraw/zinc/71/57/32/699715732.db2.gz QMUVFKHASNOIFR-ZETCQYMHSA-N -1 3 319.350 1.958 20 5 DDBDHM C[C@@H](CN(C)c1nc2ccc([N+](=O)[O-])cc2s1)c1nn[n-]n1 ZINC000736002539 699715733 /nfs/dbraw/zinc/71/57/33/699715733.db2.gz QMUVFKHASNOIFR-ZETCQYMHSA-N -1 3 319.350 1.958 20 5 DDBDHM CO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000826146758 705777942 /nfs/dbraw/zinc/77/79/42/705777942.db2.gz CFSNJQNPYMTNTP-LLVKDONJSA-N -1 3 318.337 1.780 20 5 DDBDHM CO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000826146758 705777946 /nfs/dbraw/zinc/77/79/46/705777946.db2.gz CFSNJQNPYMTNTP-LLVKDONJSA-N -1 3 318.337 1.780 20 5 DDBDHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000837165601 707588870 /nfs/dbraw/zinc/58/88/70/707588870.db2.gz HVSIZYMAFINPQU-JTQLQIEISA-N -1 3 315.276 1.327 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2COC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000921498561 713790025 /nfs/dbraw/zinc/79/00/25/713790025.db2.gz IXHBLNXPEOIVIU-WPRPVWTQSA-N -1 3 318.326 1.356 20 5 DDBDHM Cc1ccc([N-]c2nc(N)c(Cl)nc2C(N)=O)c([N+](=O)[O-])c1 ZINC001214169252 741883812 /nfs/dbraw/zinc/88/38/12/741883812.db2.gz DEHBGGSHIDIAFG-UHFFFAOYSA-N -1 3 322.712 1.771 20 5 DDBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001187216057 744529013 /nfs/dbraw/zinc/52/90/13/744529013.db2.gz QNDGXTNWRQCRHX-UHFFFAOYSA-N -1 3 324.300 1.862 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)nc1 ZINC001193628695 746154670 /nfs/dbraw/zinc/15/46/70/746154670.db2.gz PVTGCKJMVCKHEP-SECBINFHSA-N -1 3 317.392 1.411 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(NCC=CCNC(=O)c2cn[n-]n2)c1 ZINC001107587318 750194028 /nfs/dbraw/zinc/19/40/28/750194028.db2.gz RRHVOAPOWZZVBL-NSCUHMNNSA-N -1 3 316.321 1.419 20 5 DDBDHM CCCC(=O)N1C[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC001065955245 758942027 /nfs/dbraw/zinc/94/20/27/758942027.db2.gz FVMJGFZUGAIENP-PHIMTYICSA-N -1 3 320.349 1.390 20 5 DDBDHM CC(C)=CC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055707034 760634456 /nfs/dbraw/zinc/63/44/56/760634456.db2.gz HQXYWWVHXCPOGG-UHFFFAOYSA-N -1 3 306.322 1.310 20 5 DDBDHM CCOCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094332909 775716492 /nfs/dbraw/zinc/71/64/92/775716492.db2.gz LMSUNTICCSBTGL-UHFFFAOYSA-N -1 3 312.326 1.040 20 5 DDBDHM CC/C(C)=C/C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094397910 775807481 /nfs/dbraw/zinc/80/74/81/775807481.db2.gz IDBWDJJQWSCFDS-MDZDMXLPSA-N -1 3 308.338 1.970 20 5 DDBDHM COCC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094666853 776147516 /nfs/dbraw/zinc/14/75/16/776147516.db2.gz ZWFIBPGKUGTCBK-UHFFFAOYSA-N -1 3 324.337 1.040 20 5 DDBDHM CCN(CCNC(=O)c1ccc[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100443274 776164046 /nfs/dbraw/zinc/16/40/46/776164046.db2.gz XXCDKZQJVZOLHC-UHFFFAOYSA-N -1 3 319.321 1.280 20 5 DDBDHM CCCN(CCNC(=O)C(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101096352 776900035 /nfs/dbraw/zinc/90/00/35/776900035.db2.gz HIAOVZUBYJNIIU-UHFFFAOYSA-N -1 3 310.354 1.684 20 5 DDBDHM Cc1ncc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(=O)[n-]1 ZINC001172906677 776917242 /nfs/dbraw/zinc/91/72/42/776917242.db2.gz OGBFNSAQCLQPDN-UKRRQHHQSA-N -1 3 314.345 1.830 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cc1ccoc1 ZINC001101562311 777252747 /nfs/dbraw/zinc/25/27/47/777252747.db2.gz VKJDGWXVXWYHGM-UHFFFAOYSA-N -1 3 320.305 1.401 20 5 DDBDHM CC(C)(C)OC(=O)C[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001326322707 861280503 /nfs/dbraw/zinc/28/05/03/861280503.db2.gz BQYIKPADZKYBIN-GFCCVEGCSA-N -1 3 324.333 1.869 20 5 DDBDHM COc1cc(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])cc1[O-] ZINC001327603203 862309379 /nfs/dbraw/zinc/30/93/79/862309379.db2.gz HMLNJFAIZLZBCN-SNVBAGLBSA-N -1 3 308.290 1.572 20 5 DDBDHM COc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC001301962722 871036104 /nfs/dbraw/zinc/03/61/04/871036104.db2.gz SFJDZJQEGOXMPP-UHFFFAOYSA-N -1 3 310.291 1.716 20 5 DDBDHM Cc1nc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc(=O)[n-]1 ZINC001226513025 882478077 /nfs/dbraw/zinc/47/80/77/882478077.db2.gz XUTHILGLUXXDDC-LBPRGKRZSA-N -1 3 319.273 1.616 20 5 DDBDHM CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC001304043759 871181164 /nfs/dbraw/zinc/18/11/64/871181164.db2.gz ZIVXQUSMWBATCC-LBPRGKRZSA-N -1 3 307.350 1.761 20 5 DDBDHM O=c1ccc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n[n-]1 ZINC001227094055 882828728 /nfs/dbraw/zinc/82/87/28/882828728.db2.gz ZGKIFMHMHSGZQV-JTQLQIEISA-N -1 3 302.290 1.748 20 5 DDBDHM CC(=O)N1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743317 883153442 /nfs/dbraw/zinc/15/34/42/883153442.db2.gz LLEYZXGTTCBIOD-LLVKDONJSA-N -1 3 304.306 1.861 20 5 DDBDHM CC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743317 883153447 /nfs/dbraw/zinc/15/34/47/883153447.db2.gz LLEYZXGTTCBIOD-LLVKDONJSA-N -1 3 304.306 1.861 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCCN(C)C2)cc1[O-] ZINC001228812487 883685161 /nfs/dbraw/zinc/68/51/61/883685161.db2.gz WRPNASMTPGDRAU-SECBINFHSA-N -1 3 310.306 1.560 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCCO)c([N+](=O)[O-])c1 ZINC000451718011 231172352 /nfs/dbraw/zinc/17/23/52/231172352.db2.gz DDCYOVNPUIOSHS-NSHDSACASA-N -1 3 316.379 1.733 20 5 DDBDHM CN(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000615296760 362241277 /nfs/dbraw/zinc/24/12/77/362241277.db2.gz KNWQMNACPHPPIZ-GHMZBOCLSA-N -1 3 313.379 1.356 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN(C)C1CC1 ZINC000067717798 353064152 /nfs/dbraw/zinc/06/41/52/353064152.db2.gz QAGYCYQQJVQWRE-UHFFFAOYSA-N -1 3 313.379 1.276 20 5 DDBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC000152381734 354191839 /nfs/dbraw/zinc/19/18/39/354191839.db2.gz DUJUUUWGQDNYPT-NSHDSACASA-N -1 3 314.363 1.607 20 5 DDBDHM C[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000592977184 355760396 /nfs/dbraw/zinc/76/03/96/355760396.db2.gz NUIOWDAGRWOYRN-WPRPVWTQSA-N -1 3 306.322 1.725 20 5 DDBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC ZINC000593603290 355939484 /nfs/dbraw/zinc/93/94/84/355939484.db2.gz KSPPLNWPFBIRAV-MWLCHTKSSA-N -1 3 317.367 1.329 20 5 DDBDHM CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000593884796 356041097 /nfs/dbraw/zinc/04/10/97/356041097.db2.gz WUCOLUODISSMOS-UHFFFAOYSA-N -1 3 307.350 1.858 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594803683 356322838 /nfs/dbraw/zinc/32/28/38/356322838.db2.gz DXAJTJPGTWYLHI-VIFPVBQESA-N -1 3 320.392 1.404 20 5 DDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595279573 356430734 /nfs/dbraw/zinc/43/07/34/356430734.db2.gz RRMWSZUQEKVXDK-YPMHNXCESA-N -1 3 306.318 1.761 20 5 DDBDHM Cc1noc(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596084093 356766346 /nfs/dbraw/zinc/76/63/46/356766346.db2.gz HJIBFPDGBUBZSP-UHFFFAOYSA-N -1 3 305.294 1.771 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000596252368 356833091 /nfs/dbraw/zinc/83/30/91/356833091.db2.gz JMEWECNFCRGTKF-JTQLQIEISA-N -1 3 317.353 1.489 20 5 DDBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000596158058 356796096 /nfs/dbraw/zinc/79/60/96/356796096.db2.gz ONTWRJXXLRZOAG-JQWIXIFHSA-N -1 3 303.322 1.979 20 5 DDBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000596242981 356830739 /nfs/dbraw/zinc/83/07/39/356830739.db2.gz HXEILYLYRDBKPS-BDAKNGLRSA-N -1 3 315.351 1.097 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000596252655 356832971 /nfs/dbraw/zinc/83/29/71/356832971.db2.gz QDGAUZFJWNYUDX-NSHDSACASA-N -1 3 302.338 1.786 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601452121 358560030 /nfs/dbraw/zinc/56/00/30/358560030.db2.gz FJSOQRUYMNXKOY-DTWKUNHWSA-N -1 3 318.326 1.498 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601498707 358576501 /nfs/dbraw/zinc/57/65/01/358576501.db2.gz CMWYCOKRVYYYSV-JFGNBEQYSA-N -1 3 314.363 1.580 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601499966 358576874 /nfs/dbraw/zinc/57/68/74/358576874.db2.gz SYGPXMDUBOUNLV-OPRDCNLKSA-N -1 3 300.336 1.439 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000604474388 359754196 /nfs/dbraw/zinc/75/41/96/359754196.db2.gz GGLYIWKUILEUKA-UHFFFAOYSA-N -1 3 304.291 1.655 20 5 DDBDHM CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000275113721 212128272 /nfs/dbraw/zinc/12/82/72/212128272.db2.gz YQSWSUDAAPESPW-IAQYHMDHSA-N -1 3 319.361 1.857 20 5 DDBDHM C[C@@H]1CCCCN1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274880642 212004108 /nfs/dbraw/zinc/00/41/08/212004108.db2.gz IHIYNZCBZHDCGN-SNVBAGLBSA-N -1 3 308.338 1.300 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000330675836 248864278 /nfs/dbraw/zinc/86/42/78/248864278.db2.gz JRYGKGPZTDOIFC-UHFFFAOYSA-N -1 3 316.379 1.731 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O)c1C ZINC000340819444 251228253 /nfs/dbraw/zinc/22/82/53/251228253.db2.gz KLKZNXUWAOGSQT-VHSXEESVSA-N -1 3 316.379 1.649 20 5 DDBDHM CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000048671212 407104511 /nfs/dbraw/zinc/10/45/11/407104511.db2.gz YCBYHJGGPXBWOE-UHFFFAOYSA-N -1 3 308.743 1.563 20 5 DDBDHM CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000111635721 407413058 /nfs/dbraw/zinc/41/30/58/407413058.db2.gz ZZFBIHIIUYUCKB-SNVBAGLBSA-N -1 3 308.338 1.300 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000272115964 407779407 /nfs/dbraw/zinc/77/94/07/407779407.db2.gz ZSXMMBLCMVMDKI-CMPLNLGQSA-N -1 3 314.363 1.831 20 5 DDBDHM CN1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc21 ZINC000182638746 408211130 /nfs/dbraw/zinc/21/11/30/408211130.db2.gz UQMUPSIGGDBNKQ-UHFFFAOYSA-N -1 3 314.301 1.940 20 5 DDBDHM COc1nnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[n-]1 ZINC000182982566 408297577 /nfs/dbraw/zinc/29/75/77/408297577.db2.gz ZFWUKXWEOYSTRZ-UHFFFAOYSA-N -1 3 316.277 1.384 20 5 DDBDHM COc1nc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[n-]1 ZINC000182982566 408297578 /nfs/dbraw/zinc/29/75/78/408297578.db2.gz ZFWUKXWEOYSTRZ-UHFFFAOYSA-N -1 3 316.277 1.384 20 5 DDBDHM COc1n[n-]c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000182982566 408297582 /nfs/dbraw/zinc/29/75/82/408297582.db2.gz ZFWUKXWEOYSTRZ-UHFFFAOYSA-N -1 3 316.277 1.384 20 5 DDBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264028804 408347405 /nfs/dbraw/zinc/34/74/05/408347405.db2.gz ZINOCZQIOZMXML-QMMMGPOBSA-N -1 3 316.335 1.443 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000248380702 408553334 /nfs/dbraw/zinc/55/33/34/408553334.db2.gz QXZUNOMFYPUDFF-MRVPVSSYSA-N -1 3 300.336 1.680 20 5 DDBDHM CC(C)(C)c1nnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000195165063 408814880 /nfs/dbraw/zinc/81/48/80/408814880.db2.gz MICBMIYRUOGIHH-UHFFFAOYSA-N -1 3 324.362 1.984 20 5 DDBDHM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000195165063 408814881 /nfs/dbraw/zinc/81/48/81/408814881.db2.gz MICBMIYRUOGIHH-UHFFFAOYSA-N -1 3 324.362 1.984 20 5 DDBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194394030 163281911 /nfs/dbraw/zinc/28/19/11/163281911.db2.gz BNZLDCNPGHZDNI-VIFPVBQESA-N -1 3 319.408 1.419 20 5 DDBDHM C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286905148 409000576 /nfs/dbraw/zinc/00/05/76/409000576.db2.gz COQKFBNTQHFMGI-AAEUAGOBSA-N -1 3 319.361 1.999 20 5 DDBDHM O=[N+]([O-])c1cnc([N-]c2cnn(CCN3CCOCC3)c2)s1 ZINC000282075505 408985453 /nfs/dbraw/zinc/98/54/53/408985453.db2.gz ZGWGEPRIUKRSOA-UHFFFAOYSA-N -1 3 324.366 1.324 20 5 DDBDHM CN1CC[C@]2(CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C2)C1 ZINC000293931284 409209675 /nfs/dbraw/zinc/20/96/75/409209675.db2.gz QJCNOXGLDZDKNA-HNNXBMFYSA-N -1 3 305.334 1.468 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(O)CCC2)c(F)c1 ZINC000284096725 409274383 /nfs/dbraw/zinc/27/43/83/409274383.db2.gz VXQREVQHVVPAHC-UHFFFAOYSA-N -1 3 318.326 1.317 20 5 DDBDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331513492 409587518 /nfs/dbraw/zinc/58/75/18/409587518.db2.gz NEDLVYIHIDEJJT-NOZJJQNGSA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000351621084 410114393 /nfs/dbraw/zinc/11/43/93/410114393.db2.gz PUXGSAOCLGHZKL-UHFFFAOYSA-N -1 3 307.331 1.829 20 5 DDBDHM CCN1CC[C@@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393606 410153303 /nfs/dbraw/zinc/15/33/03/410153303.db2.gz KQKNBXFHDKXJQD-CVEARBPZSA-N -1 3 321.377 1.595 20 5 DDBDHM CN(C)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000355293705 410424078 /nfs/dbraw/zinc/42/40/78/410424078.db2.gz FONZRPPJAVIVDZ-UHFFFAOYSA-N -1 3 319.408 1.419 20 5 DDBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416530249 420408112 /nfs/dbraw/zinc/40/81/12/420408112.db2.gz RLJPSMJYAPYPGO-PHIMTYICSA-N -1 3 314.363 1.829 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(C)C2)cc1C ZINC000507300169 421427168 /nfs/dbraw/zinc/42/71/68/421427168.db2.gz OIBYYFXMYWCXLU-NSHDSACASA-N -1 3 313.379 1.194 20 5 DDBDHM CO[C@@H]1C[C@H](CC(=O)[O-])N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516575888 421554354 /nfs/dbraw/zinc/55/43/54/421554354.db2.gz FQPDGDZQKVARHE-TZMCWYRMSA-N -1 3 324.333 1.538 20 5 DDBDHM COc1ccc(CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000575814830 422331964 /nfs/dbraw/zinc/33/19/64/422331964.db2.gz BIRTUNWKZHUJDG-WCQYABFASA-N -1 3 324.333 1.667 20 5 DDBDHM C[C@@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CN1C1CC1 ZINC000578511304 422585362 /nfs/dbraw/zinc/58/53/62/422585362.db2.gz NHJWKFWQOKRXRN-BDAKNGLRSA-N -1 3 306.322 1.725 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000345102568 272172130 /nfs/dbraw/zinc/17/21/30/272172130.db2.gz RJYZJGSPLLSYQQ-UHFFFAOYSA-N -1 3 302.290 1.637 20 5 DDBDHM COc1cc(C(=O)NCc2cnc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000345121896 272176563 /nfs/dbraw/zinc/17/65/63/272176563.db2.gz IGVDCKIORNQQGH-UHFFFAOYSA-N -1 3 318.289 1.337 20 5 DDBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000345233782 272196308 /nfs/dbraw/zinc/19/63/08/272196308.db2.gz VEWYMHVHJMITHZ-UHFFFAOYSA-N -1 3 300.274 1.289 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(F)c1 ZINC000152260587 281731185 /nfs/dbraw/zinc/73/11/85/281731185.db2.gz SOJOOFFAURCEQH-VIFPVBQESA-N -1 3 320.367 1.908 20 5 DDBDHM COc1nn(C)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000356654321 298841460 /nfs/dbraw/zinc/84/14/60/298841460.db2.gz LKBXSMNHWFGMET-UHFFFAOYSA-N -1 3 316.277 1.466 20 5 DDBDHM Cn1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000290635201 303044092 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C[C@@H]1CCCN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269181797 207301778 /nfs/dbraw/zinc/30/17/78/207301778.db2.gz LMIFSYJITFLXRJ-LLVKDONJSA-N -1 3 307.350 1.762 20 5 DDBDHM CS[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000157940022 197229457 /nfs/dbraw/zinc/22/94/57/197229457.db2.gz HBAKSBBQEFAUEF-SECBINFHSA-N -1 3 304.393 1.933 20 5 DDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000120746186 195228445 /nfs/dbraw/zinc/22/84/45/195228445.db2.gz GHZGPAFIFWBTPW-BDAKNGLRSA-N -1 3 320.342 1.419 20 5 DDBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289482050 221006673 /nfs/dbraw/zinc/00/66/73/221006673.db2.gz RVDLJZZBSPQZCO-JQWIXIFHSA-N -1 3 317.349 1.947 20 5 DDBDHM O=c1[n-]cnc2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000269652664 296500720 /nfs/dbraw/zinc/50/07/20/296500720.db2.gz AGFMKYDZBAYBKP-UHFFFAOYSA-N -1 3 307.697 1.702 20 5 DDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124392138 407356579 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DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000293852792 409194681 /nfs/dbraw/zinc/19/46/81/409194681.db2.gz RIYCYGTZICHNNB-NSHDSACASA-N -1 3 300.336 1.298 20 5 DDBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293801500 409182535 /nfs/dbraw/zinc/18/25/35/409182535.db2.gz NHLPHJDQQAQKRR-CYBMUJFWSA-N -1 3 314.363 1.439 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCF ZINC000314239094 409824005 /nfs/dbraw/zinc/82/40/05/409824005.db2.gz RCGGPTTTWIZGHI-UHFFFAOYSA-N -1 3 320.298 1.019 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332199797 409971911 /nfs/dbraw/zinc/97/19/11/409971911.db2.gz SGPYOAWLLDPEMI-CBAPKCEASA-N -1 3 302.327 1.977 20 5 DDBDHM COc1cc(CNCc2ncccc2[O-])c([N+](=O)[O-])cc1O ZINC000355285058 298699627 /nfs/dbraw/zinc/69/96/27/298699627.db2.gz SITQJVSCSSEQIQ-UHFFFAOYSA-N -1 3 305.290 1.699 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000357777686 410243307 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CC(=O)c1ccc(N(C)C[C@@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000132886765 196293605 /nfs/dbraw/zinc/29/36/05/196293605.db2.gz ZZTFJNWXVIYASG-MRVPVSSYSA-N -1 3 304.310 1.550 20 5 DDBDHM CC(=O)c1ccc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000132886765 196293607 /nfs/dbraw/zinc/29/36/07/196293607.db2.gz ZZTFJNWXVIYASG-MRVPVSSYSA-N -1 3 304.310 1.550 20 5 DDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2cccnc21)c1nnn[n-]1 ZINC000132895621 196294762 /nfs/dbraw/zinc/29/47/62/196294762.db2.gz GURVLDUSKOAJGE-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2cccnc21)c1nn[n-]n1 ZINC000132895621 196294763 /nfs/dbraw/zinc/29/47/63/196294763.db2.gz GURVLDUSKOAJGE-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM COC(=O)c1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)[n-]1 ZINC000350505916 306751832 /nfs/dbraw/zinc/75/18/32/306751832.db2.gz BVTAXOWVWRCGHA-UHFFFAOYSA-N -1 3 318.249 1.160 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000386956396 418741934 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O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])o1 ZINC000020462538 182221025 /nfs/dbraw/zinc/22/10/25/182221025.db2.gz RSLSNACGXWXNKM-UHFFFAOYSA-N -1 3 300.234 1.620 20 5 DDBDHM C[C@H](CN1CCCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160016913 197380278 /nfs/dbraw/zinc/38/02/78/197380278.db2.gz WRFXFXJKAQUVTJ-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000337835117 249703623 /nfs/dbraw/zinc/70/36/23/249703623.db2.gz IEFFBCWCZVEEAV-UHFFFAOYSA-N -1 3 316.379 1.997 20 5 DDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000338721692 250104005 /nfs/dbraw/zinc/10/40/05/250104005.db2.gz ADEGIOXMFJSZBG-SNVBAGLBSA-N -1 3 302.352 1.607 20 5 DDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000159711227 197362027 /nfs/dbraw/zinc/36/20/27/197362027.db2.gz JLVQCDIHERFARF-ZETCQYMHSA-N -1 3 322.770 1.463 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352321094 284960511 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DDBDHM Cc1cnccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188842556 407979774 /nfs/dbraw/zinc/97/97/74/407979774.db2.gz PTMGTTSWIZGTHI-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119268074 408026531 /nfs/dbraw/zinc/02/65/31/408026531.db2.gz FGENTIZOMQEGJM-VIFPVBQESA-N -1 3 322.770 1.688 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000268789204 408194565 /nfs/dbraw/zinc/19/45/65/408194565.db2.gz LJMLLQCRLYHPRI-SNVBAGLBSA-N -1 3 322.346 1.674 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190077251 408160932 /nfs/dbraw/zinc/16/09/32/408160932.db2.gz KLFLHFDGDISBJW-NSHDSACASA-N -1 3 316.379 1.651 20 5 DDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000263836865 408279672 /nfs/dbraw/zinc/27/96/72/408279672.db2.gz XBXFAXASCJNAPT-QMMMGPOBSA-N -1 3 306.315 1.437 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249454910 408728105 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DDBDHM C[C@@H](CN1CCCCC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000319031448 164034749 /nfs/dbraw/zinc/03/47/49/164034749.db2.gz GOVANEHNFHAKQZ-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)OC ZINC000342095117 409559490 /nfs/dbraw/zinc/55/94/90/409559490.db2.gz LBAZTYQRLWLGSW-IUCAKERBSA-N -1 3 318.351 1.305 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331513504 409588245 /nfs/dbraw/zinc/58/82/45/409588245.db2.gz NEDLVYIHIDEJJT-ZANVPECISA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]Cc2nccs2)cc1[N+](=O)[O-] ZINC000343469045 410476218 /nfs/dbraw/zinc/47/62/18/410476218.db2.gz OYSRJXUJGPNCPG-UHFFFAOYSA-N -1 3 319.389 1.900 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CSC[C@H]1C ZINC000352347526 410638581 /nfs/dbraw/zinc/63/85/81/410638581.db2.gz WSZRCHMPHAOKNS-NXEZZACHSA-N -1 3 316.404 1.933 20 5 DDBDHM Cc1nn(C)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC000348046825 410823906 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COC(=O)c1nc[n-]c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000492820459 420676169 /nfs/dbraw/zinc/67/61/69/420676169.db2.gz BIERXTAJONDCJE-QPJJXVBHSA-N -1 3 316.273 1.756 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000492820459 420676174 /nfs/dbraw/zinc/67/61/74/420676174.db2.gz BIERXTAJONDCJE-QPJJXVBHSA-N -1 3 316.273 1.756 20 5 DDBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000457108984 420617627 /nfs/dbraw/zinc/61/76/27/420617627.db2.gz GOVPRMNSPSWCQO-GFCCVEGCSA-N -1 3 307.350 1.855 20 5 DDBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000128188040 281302164 /nfs/dbraw/zinc/30/21/64/281302164.db2.gz HUCQDSTWBQAPLF-ZYHUDNBSSA-N -1 3 314.363 1.749 20 5 DDBDHM CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182133336 290243270 /nfs/dbraw/zinc/24/32/70/290243270.db2.gz YQLNZYDJEWKHBC-RISCZKNCSA-N -1 3 319.361 1.857 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366345161 300683264 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CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC000820995301 599101761 /nfs/dbraw/zinc/10/17/61/599101761.db2.gz PHXMFXJQLLOSDK-SECBINFHSA-N -1 3 321.366 1.502 20 5 DDBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC000820995301 599101763 /nfs/dbraw/zinc/10/17/63/599101763.db2.gz PHXMFXJQLLOSDK-SECBINFHSA-N -1 3 321.366 1.502 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2CCO)c(-c2nnn[n-]2)c1 ZINC000823640018 599147962 /nfs/dbraw/zinc/14/79/62/599147962.db2.gz PNYOIBNWNVJJQO-JTQLQIEISA-N -1 3 318.337 1.516 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2CCO)c(-c2nn[n-]n2)c1 ZINC000823640018 599147964 /nfs/dbraw/zinc/14/79/64/599147964.db2.gz PNYOIBNWNVJJQO-JTQLQIEISA-N -1 3 318.337 1.516 20 5 DDBDHM CN(C[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736791998 598468536 /nfs/dbraw/zinc/46/85/36/598468536.db2.gz PRIRMUZJQDWJHB-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CN(C[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736791998 598468537 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311.248 1.682 20 5 DDBDHM O=c1[n-]cnc2c1CN(c1nc3ccccn3c1[N+](=O)[O-])CC2 ZINC000750567619 700232637 /nfs/dbraw/zinc/23/26/37/700232637.db2.gz SBHIYOSBYSFBAB-UHFFFAOYSA-N -1 3 312.289 1.301 20 5 DDBDHM CCn1ncn([N-]C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1=O ZINC000820387882 704270230 /nfs/dbraw/zinc/27/02/30/704270230.db2.gz FOXBYQNPKHDLSS-UHFFFAOYSA-N -1 3 319.321 1.480 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCOCC1 ZINC000826497772 705805221 /nfs/dbraw/zinc/80/52/21/705805221.db2.gz UFDJLILUYZUAFE-JTQLQIEISA-N -1 3 304.310 1.756 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCOCC1 ZINC000826497772 705805222 /nfs/dbraw/zinc/80/52/22/705805222.db2.gz UFDJLILUYZUAFE-JTQLQIEISA-N -1 3 304.310 1.756 20 5 DDBDHM CCN1CC[C@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000882764435 707780144 /nfs/dbraw/zinc/78/01/44/707780144.db2.gz UZQHKVONTNZLML-VIFPVBQESA-N -1 3 319.408 1.337 20 5 DDBDHM CCCN(CCNC(=O)C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101072135 742412136 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COc1c(F)cc(NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001164381733 869170105 /nfs/dbraw/zinc/17/01/05/869170105.db2.gz CJQHRTPHWOTZAP-QMMMGPOBSA-N -1 3 310.285 1.666 20 5 DDBDHM COC(=O)c1cc(NCCCc2c[n-][nH]c2=O)cc([N+](=O)[O-])c1 ZINC001164383926 869173034 /nfs/dbraw/zinc/17/30/34/869173034.db2.gz XRLJYCLHDNRUIR-SECBINFHSA-N -1 3 320.305 1.305 20 5 DDBDHM O=c1[n-]ccc(NC[C@@H](O)COc2ccccc2)c1[N+](=O)[O-] ZINC001306927307 871381251 /nfs/dbraw/zinc/38/12/51/871381251.db2.gz HSNNWGUYPURXEA-SNVBAGLBSA-N -1 3 305.290 1.547 20 5 DDBDHM COC(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F ZINC001228686978 883618853 /nfs/dbraw/zinc/61/88/53/883618853.db2.gz SJCDUPLCSOQLSU-QMMMGPOBSA-N -1 3 310.184 1.487 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000451686649 231163807 /nfs/dbraw/zinc/16/38/07/231163807.db2.gz QRNNDWZEYFKLCE-MRVPVSSYSA-N -1 3 322.408 1.652 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000451701124 231167759 /nfs/dbraw/zinc/16/77/59/231167759.db2.gz ZMPNRWDNAURIEO-SECBINFHSA-N -1 3 320.392 1.811 20 5 DDBDHM C[C@H](CN(C)c1ncnc2sc([N+](=O)[O-])cc21)c1nnn[n-]1 ZINC000286894709 219214060 /nfs/dbraw/zinc/21/40/60/219214060.db2.gz OWAPPQZQXPYCBA-ZCFIWIBFSA-N -1 3 320.338 1.353 20 5 DDBDHM C[C@H](CN(C)c1ncnc2sc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000286894709 219214062 /nfs/dbraw/zinc/21/40/62/219214062.db2.gz OWAPPQZQXPYCBA-ZCFIWIBFSA-N -1 3 320.338 1.353 20 5 DDBDHM CCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030494017 352254044 /nfs/dbraw/zinc/25/40/44/352254044.db2.gz BNYXKEINKRQCFG-UHFFFAOYSA-N -1 3 318.351 1.308 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000063186672 352906312 /nfs/dbraw/zinc/90/63/12/352906312.db2.gz XQMQTOWCIDMZBH-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000063186658 352906447 /nfs/dbraw/zinc/90/64/47/352906447.db2.gz DIOPUGDVUWRMAT-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C2CC(C)C2)c([N+](=O)[O-])c1 ZINC000080815639 353632515 /nfs/dbraw/zinc/63/25/15/353632515.db2.gz SUFRQKQHJCVXKA-UHFFFAOYSA-N -1 3 300.336 1.680 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601304919 358488228 /nfs/dbraw/zinc/48/82/28/358488228.db2.gz XBIQFHLGOPSBCY-IONNQARKSA-N -1 3 302.327 1.977 20 5 DDBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574722 355931065 /nfs/dbraw/zinc/93/10/65/355931065.db2.gz WGDRPCRLQDXKSZ-MWLCHTKSSA-N -1 3 315.351 1.083 20 5 DDBDHM CN(CCN1CCCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593881924 356039425 /nfs/dbraw/zinc/03/94/25/356039425.db2.gz FNOKVCIZWNYQNJ-UHFFFAOYSA-N -1 3 308.338 1.253 20 5 DDBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000594799396 356321245 /nfs/dbraw/zinc/32/12/45/356321245.db2.gz WNWBCWCUGGHGFY-GZMMTYOYSA-N -1 3 323.334 1.171 20 5 DDBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000594851959 356337237 /nfs/dbraw/zinc/33/72/37/356337237.db2.gz NRCRLBWIWVJQPS-GHMZBOCLSA-N -1 3 314.363 1.831 20 5 DDBDHM O=c1[n-]ccc(N2CCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000596065584 356759502 /nfs/dbraw/zinc/75/95/02/356759502.db2.gz SYKILEXAGZAUCS-UHFFFAOYSA-N -1 3 307.335 1.479 20 5 DDBDHM CCN1CCN([C@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078533 356764954 /nfs/dbraw/zinc/76/49/54/356764954.db2.gz SVWVPKIAJMJFFY-LLVKDONJSA-N -1 3 309.370 1.133 20 5 DDBDHM O=c1[n-]ccc(N2CCC[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000596174423 356802067 /nfs/dbraw/zinc/80/20/67/356802067.db2.gz HSZZSQRINSIYBU-SNVBAGLBSA-N -1 3 304.310 1.204 20 5 DDBDHM Cc1noc(C2(C)CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596186109 356805576 /nfs/dbraw/zinc/80/55/76/356805576.db2.gz IKNNVEKNSVFDEF-UHFFFAOYSA-N -1 3 319.321 1.945 20 5 DDBDHM Cn1nccc1[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596258646 356835073 /nfs/dbraw/zinc/83/50/73/356835073.db2.gz WNFWMYXTXAJGHS-BXKDBHETSA-N -1 3 319.321 1.761 20 5 DDBDHM Cc1ccc([N-]C(=O)c2nnn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000596618425 356933272 /nfs/dbraw/zinc/93/32/72/356933272.db2.gz AVSUOFGTSNOQBV-UHFFFAOYSA-N -1 3 304.310 1.897 20 5 DDBDHM Cn1ccnc1C([N-]c1ncc([N+](=O)[O-])s1)c1nccn1C ZINC000599130096 357823948 /nfs/dbraw/zinc/82/39/48/357823948.db2.gz LMMOJFKHEIXWAS-UHFFFAOYSA-N -1 3 319.350 1.720 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H](OC)C1 ZINC000599511385 357960089 /nfs/dbraw/zinc/96/00/89/357960089.db2.gz LRCJDQLMZDBGQK-KYZUINATSA-N -1 3 316.335 1.059 20 5 DDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000599472205 357948800 /nfs/dbraw/zinc/94/88/00/357948800.db2.gz CUQBYLKBJWBJTB-UHFFFAOYSA-N -1 3 312.347 1.632 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2COC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601462312 358563409 /nfs/dbraw/zinc/56/34/09/358563409.db2.gz WLNFBCJLOUCOMR-MRVPVSSYSA-N -1 3 320.392 1.811 20 5 DDBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276658455 213028263 /nfs/dbraw/zinc/02/82/63/213028263.db2.gz DRESCQNIPJCIPV-SECBINFHSA-N -1 3 316.335 1.051 20 5 DDBDHM O=C(NCCCNc1cccnc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000609075252 360259113 /nfs/dbraw/zinc/25/91/13/360259113.db2.gz BAFNVMNZQWJZNA-UHFFFAOYSA-N -1 3 316.317 1.927 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC(=O)N(C)C)c2)n1 ZINC000359111539 299328350 /nfs/dbraw/zinc/32/83/50/299328350.db2.gz WEADJIVJSLYFJX-UHFFFAOYSA-N -1 3 318.337 1.635 20 5 DDBDHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000350658148 284237086 /nfs/dbraw/zinc/23/70/86/284237086.db2.gz LBBVOPNSRMBEHO-UHFFFAOYSA-N -1 3 308.201 1.441 20 5 DDBDHM CC(C)Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000266503318 205393718 /nfs/dbraw/zinc/39/37/18/205393718.db2.gz AFDZZGORPJWPQO-UHFFFAOYSA-N -1 3 305.294 1.800 20 5 DDBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000038012328 182962832 /nfs/dbraw/zinc/96/28/32/182962832.db2.gz XHARUSFISAONMC-UHFFFAOYSA-N -1 3 310.335 1.413 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCn1ccnc1 ZINC000119932947 195064757 /nfs/dbraw/zinc/06/47/57/195064757.db2.gz AVUVVLONBIKCSL-UHFFFAOYSA-N -1 3 324.362 1.468 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000352560277 285141574 /nfs/dbraw/zinc/14/15/74/285141574.db2.gz OTESFRAJEYZDNZ-VIFPVBQESA-N -1 3 320.392 1.262 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000352560276 285141726 /nfs/dbraw/zinc/14/17/26/285141726.db2.gz OTESFRAJEYZDNZ-SECBINFHSA-N -1 3 320.392 1.262 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000120987784 195276010 /nfs/dbraw/zinc/27/60/10/195276010.db2.gz FDTUGGXDBCPEGT-SECBINFHSA-N -1 3 322.770 1.688 20 5 DDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)C1CC1 ZINC000069129048 406682466 /nfs/dbraw/zinc/68/24/66/406682466.db2.gz PHHAENCHRHGANF-QMMMGPOBSA-N -1 3 319.408 1.417 20 5 DDBDHM CCC(O)(CC)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000087041450 407115900 /nfs/dbraw/zinc/11/59/00/407115900.db2.gz CRQBTFDGDVWMQQ-UHFFFAOYSA-N -1 3 302.352 1.424 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000089166468 407126801 /nfs/dbraw/zinc/12/68/01/407126801.db2.gz YXLOPPKXEACHFK-KOLCDFICSA-N -1 3 300.336 1.034 20 5 DDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2nccs2)c1 ZINC000151847953 407509815 /nfs/dbraw/zinc/50/98/15/407509815.db2.gz WWZZQWKGAVPSIV-UHFFFAOYSA-N -1 3 313.360 1.671 20 5 DDBDHM CCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130493811 407694620 /nfs/dbraw/zinc/69/46/20/407694620.db2.gz GGBCICQQUWMBDT-UHFFFAOYSA-N -1 3 307.350 1.858 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000272115966 407780468 /nfs/dbraw/zinc/78/04/68/407780468.db2.gz ZSXMMBLCMVMDKI-JQWIXIFHSA-N -1 3 314.363 1.831 20 5 DDBDHM CN1CC=C(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000272269026 407842508 /nfs/dbraw/zinc/84/25/08/407842508.db2.gz RPRBXHLDBFJYPN-UHFFFAOYSA-N -1 3 311.363 1.135 20 5 DDBDHM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CN1C1CC1 ZINC000133602690 407861323 /nfs/dbraw/zinc/86/13/23/407861323.db2.gz OWUXTWUPTPOZQW-MWLCHTKSSA-N -1 3 305.334 1.655 20 5 DDBDHM CN(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000180363095 407882311 /nfs/dbraw/zinc/88/23/11/407882311.db2.gz XVEYGBBOGPVFSM-UHFFFAOYSA-N -1 3 303.278 1.409 20 5 DDBDHM CCN(C)CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189905577 408130773 /nfs/dbraw/zinc/13/07/73/408130773.db2.gz VUHICZKLWTWARC-UHFFFAOYSA-N -1 3 315.395 1.442 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273294756 408141428 /nfs/dbraw/zinc/14/14/28/408141428.db2.gz VIGHKAFDYDFIFP-UHFFFAOYSA-N -1 3 314.301 1.597 20 5 DDBDHM C[C@@H]1NCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193455499 408721032 /nfs/dbraw/zinc/72/10/32/408721032.db2.gz LTMVHCSRBVOWAO-WPRPVWTQSA-N -1 3 317.342 1.153 20 5 DDBDHM CN(C)CCn1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000164455084 408799303 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DDBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416554162 420416220 /nfs/dbraw/zinc/41/62/20/420416220.db2.gz FRZZVFYLLSEJKH-KOLCDFICSA-N -1 3 300.336 1.441 20 5 DDBDHM CC(C)(CN1CCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457060991 420599896 /nfs/dbraw/zinc/59/98/96/420599896.db2.gz YTFXRLVQIAVGOS-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1ncc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000492497865 420575900 /nfs/dbraw/zinc/57/59/00/420575900.db2.gz CLNHGTDPODXRPY-DAXSKMNVSA-N -1 3 314.301 1.728 20 5 DDBDHM CC(C)CCc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000445262974 420760739 /nfs/dbraw/zinc/76/07/39/420760739.db2.gz PCAFVNRTKMEIFI-UHFFFAOYSA-N -1 3 319.321 2.259 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000517736461 421626245 /nfs/dbraw/zinc/62/62/45/421626245.db2.gz RYNYIGZPLRNBLL-QWRGUYRKSA-N -1 3 314.363 1.667 20 5 DDBDHM CC(C)Oc1nc(Sc2nnc(CO)[n-]2)ccc1[N+](=O)[O-] ZINC000573220522 421933538 /nfs/dbraw/zinc/93/35/38/421933538.db2.gz CKFIPFNLPNAEEF-UHFFFAOYSA-N -1 3 311.323 1.539 20 5 DDBDHM CC(C)Oc1nc(Sc2n[n-]c(CO)n2)ccc1[N+](=O)[O-] ZINC000573220522 421933545 /nfs/dbraw/zinc/93/35/45/421933545.db2.gz CKFIPFNLPNAEEF-UHFFFAOYSA-N -1 3 311.323 1.539 20 5 DDBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000573894077 422031952 /nfs/dbraw/zinc/03/19/52/422031952.db2.gz XVBPDXJLNAOOAA-UHFFFAOYSA-N -1 3 319.277 1.450 20 5 DDBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000573894077 422031960 /nfs/dbraw/zinc/03/19/60/422031960.db2.gz XVBPDXJLNAOOAA-UHFFFAOYSA-N -1 3 319.277 1.450 20 5 DDBDHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000574953674 422220796 /nfs/dbraw/zinc/22/07/96/422220796.db2.gz OXAFIJOBLSBDSN-UHFFFAOYSA-N -1 3 307.291 1.546 20 5 DDBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000577909881 422455095 /nfs/dbraw/zinc/45/50/95/422455095.db2.gz IGDYEQQIFAHKLX-UHFFFAOYSA-N -1 3 321.293 1.394 20 5 DDBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000577909881 422455102 /nfs/dbraw/zinc/45/51/02/422455102.db2.gz IGDYEQQIFAHKLX-UHFFFAOYSA-N -1 3 321.293 1.394 20 5 DDBDHM CC(C)Oc1nc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000578523710 422591292 /nfs/dbraw/zinc/59/12/92/422591292.db2.gz NHQZJONMAYEQQG-UHFFFAOYSA-N -1 3 304.306 2.490 20 5 DDBDHM CSc1nsc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000344773485 272114421 /nfs/dbraw/zinc/11/44/21/272114421.db2.gz LGGOZUGYTOOGGQ-UHFFFAOYSA-N -1 3 313.320 1.521 20 5 DDBDHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344808912 272123588 /nfs/dbraw/zinc/12/35/88/272123588.db2.gz LGXAIYFSCHWADZ-SECBINFHSA-N -1 3 320.342 1.277 20 5 DDBDHM Cc1ncc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000345098662 272171746 /nfs/dbraw/zinc/17/17/46/272171746.db2.gz SULKCYRVDQQBHD-UHFFFAOYSA-N -1 3 318.289 1.094 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000345104263 272172386 /nfs/dbraw/zinc/17/23/86/272172386.db2.gz UEIYKMZTGRHHIB-UHFFFAOYSA-N -1 3 318.289 1.337 20 5 DDBDHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000060510976 276178935 /nfs/dbraw/zinc/17/89/35/276178935.db2.gz RVOSCMSUFBJPTH-NSHDSACASA-N -1 3 313.379 1.357 20 5 DDBDHM O=C([N-]c1cncnc1-n1cccn1)c1ccc([N+](=O)[O-])o1 ZINC000369443155 301186697 /nfs/dbraw/zinc/18/66/97/301186697.db2.gz NSNBQUMXWVEQSB-UHFFFAOYSA-N -1 3 300.234 1.416 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263411 301304495 /nfs/dbraw/zinc/30/44/95/301304495.db2.gz XOXPIIFZKQIUQI-CMPLNLGQSA-N -1 3 320.349 1.170 20 5 DDBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1C(N)=O ZINC000362088283 307013628 /nfs/dbraw/zinc/01/36/28/307013628.db2.gz DZINBGZIBIYUPW-UHFFFAOYSA-N -1 3 316.273 1.355 20 5 DDBDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000443253383 529220357 /nfs/dbraw/zinc/22/03/57/529220357.db2.gz RDWBXHFHTDCPPL-LLVKDONJSA-N -1 3 316.379 1.733 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCCC[C@H]1O ZINC000738359465 598978244 /nfs/dbraw/zinc/97/82/44/598978244.db2.gz ROSVYLXPJGICEC-ZWNOBZJWSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCCC[C@H]1O ZINC000738359465 598978245 /nfs/dbraw/zinc/97/82/45/598978245.db2.gz ROSVYLXPJGICEC-ZWNOBZJWSA-N -1 3 318.337 1.738 20 5 DDBDHM C[C@@H]1C[C@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736230829 599322855 /nfs/dbraw/zinc/32/28/55/599322855.db2.gz VXDAAZVYBKUJRM-DTORHVGOSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@@H]1C[C@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736230829 599322857 /nfs/dbraw/zinc/32/28/57/599322857.db2.gz VXDAAZVYBKUJRM-DTORHVGOSA-N -1 3 303.326 1.652 20 5 DDBDHM COC(=O)[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821639481 607302380 /nfs/dbraw/zinc/30/23/80/607302380.db2.gz ZTQUBZQTKFQGEJ-QMMMGPOBSA-N -1 3 320.309 1.020 20 5 DDBDHM COC(=O)[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821639481 607302381 /nfs/dbraw/zinc/30/23/81/607302381.db2.gz ZTQUBZQTKFQGEJ-QMMMGPOBSA-N -1 3 320.309 1.020 20 5 DDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccncc1[N+](=O)[O-] ZINC000736822052 598455823 /nfs/dbraw/zinc/45/58/23/598455823.db2.gz KVNNQYQYSRRSDK-UHFFFAOYSA-N -1 3 311.305 1.806 20 5 DDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccncc1[N+](=O)[O-] ZINC000736822052 598455825 /nfs/dbraw/zinc/45/58/25/598455825.db2.gz KVNNQYQYSRRSDK-UHFFFAOYSA-N -1 3 311.305 1.806 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736334494 598774446 /nfs/dbraw/zinc/77/44/46/598774446.db2.gz WPPYMMDZMSPMTE-YMTOWFKASA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736334494 598774448 /nfs/dbraw/zinc/77/44/48/598774448.db2.gz WPPYMMDZMSPMTE-YMTOWFKASA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](O)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820932949 599580559 /nfs/dbraw/zinc/58/05/59/599580559.db2.gz RPRDIAXVPHRWAE-VIFPVBQESA-N -1 3 307.314 1.133 20 5 DDBDHM CC[C@H](O)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820932949 599580562 /nfs/dbraw/zinc/58/05/62/599580562.db2.gz RPRDIAXVPHRWAE-VIFPVBQESA-N -1 3 307.314 1.133 20 5 DDBDHM C[C@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824690544 607562375 /nfs/dbraw/zinc/56/23/75/607562375.db2.gz SZNLEKDTRITCQG-VHSXEESVSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824690544 607562377 /nfs/dbraw/zinc/56/23/77/607562377.db2.gz SZNLEKDTRITCQG-VHSXEESVSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@H](CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000827449495 604745129 /nfs/dbraw/zinc/74/51/29/604745129.db2.gz LNGORTUEAOOLDF-SECBINFHSA-N -1 3 321.333 1.379 20 5 DDBDHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000833834054 605888432 /nfs/dbraw/zinc/88/84/32/605888432.db2.gz MCLVFHLEBRMMRE-VXGBXAGGSA-N -1 3 323.349 1.952 20 5 DDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000820769661 606645612 /nfs/dbraw/zinc/64/56/12/606645612.db2.gz VLNDHIBUDNYTLK-SECBINFHSA-N -1 3 318.337 1.779 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826330058 607868742 /nfs/dbraw/zinc/86/87/42/607868742.db2.gz DCYLIYMDGOEWQV-LLVKDONJSA-N -1 3 315.293 1.013 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826330058 607868743 /nfs/dbraw/zinc/86/87/43/607868743.db2.gz DCYLIYMDGOEWQV-LLVKDONJSA-N -1 3 315.293 1.013 20 5 DDBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000826004485 607905242 /nfs/dbraw/zinc/90/52/42/607905242.db2.gz ZTLXZOCCXJECNP-SECBINFHSA-N -1 3 306.351 1.717 20 5 DDBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000826004485 607905243 /nfs/dbraw/zinc/90/52/43/607905243.db2.gz ZTLXZOCCXJECNP-SECBINFHSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824961538 609318883 /nfs/dbraw/zinc/31/88/83/609318883.db2.gz DDMHCLQMUXAEIA-KWQFWETISA-N -1 3 306.301 1.959 20 5 DDBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824961538 609318885 /nfs/dbraw/zinc/31/88/85/609318885.db2.gz DDMHCLQMUXAEIA-KWQFWETISA-N -1 3 306.301 1.959 20 5 DDBDHM O=C([N-]N1CCc2ccccc2C1=O)c1csc([N+](=O)[O-])c1 ZINC000780719328 698553519 /nfs/dbraw/zinc/55/35/19/698553519.db2.gz GIXWMPKIWGIVAA-UHFFFAOYSA-N -1 3 317.326 2.000 20 5 DDBDHM Cc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000759168945 700739955 /nfs/dbraw/zinc/73/99/55/700739955.db2.gz IYAKJVIOLXBWSX-UHFFFAOYSA-N -1 3 308.319 1.604 20 5 DDBDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnn[n-]2)cccc1[N+](=O)[O-] ZINC000805603947 701397259 /nfs/dbraw/zinc/39/72/59/701397259.db2.gz YMRJMJDHMWIISC-MRVPVSSYSA-N -1 3 319.277 1.205 20 5 DDBDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2c[n-]nn2)cccc1[N+](=O)[O-] ZINC000805603947 701397261 /nfs/dbraw/zinc/39/72/61/701397261.db2.gz YMRJMJDHMWIISC-MRVPVSSYSA-N -1 3 319.277 1.205 20 5 DDBDHM CN(C[C@]1(O)CCc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853708291 704302854 /nfs/dbraw/zinc/30/28/54/704302854.db2.gz LEKNXZATWRCOSO-MRXNPFEDSA-N -1 3 315.329 1.966 20 5 DDBDHM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000921494775 713788220 /nfs/dbraw/zinc/78/82/20/713788220.db2.gz OEGZQXYKDXZQDC-CBAPKCEASA-N -1 3 320.754 1.561 20 5 DDBDHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001212105191 742081715 /nfs/dbraw/zinc/08/17/15/742081715.db2.gz LKKYXDJFAXAWGL-SNVBAGLBSA-N -1 3 324.362 1.974 20 5 DDBDHM CC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001110310288 743640766 /nfs/dbraw/zinc/64/07/66/743640766.db2.gz LSQUDSGBNBEJSE-UHFFFAOYSA-N -1 3 320.349 1.946 20 5 DDBDHM Cn1cc([N+](=O)[O-])c(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)n1 ZINC001187504689 744573219 /nfs/dbraw/zinc/57/32/19/744573219.db2.gz YHUOARBXRSMISN-UHFFFAOYSA-N -1 3 302.294 1.222 20 5 DDBDHM CCCC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110567737 748551302 /nfs/dbraw/zinc/55/13/02/748551302.db2.gz CFFUNQBWJOQZDF-UHFFFAOYSA-N -1 3 322.365 1.971 20 5 DDBDHM C/C=C(\C)C(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097564118 757249983 /nfs/dbraw/zinc/24/99/83/757249983.db2.gz BRUFGVJEFHDPPH-AUEULPNYSA-N -1 3 318.333 1.212 20 5 DDBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])oc1C ZINC001093583744 774860921 /nfs/dbraw/zinc/86/09/21/774860921.db2.gz RVXCWVNFHLIXPL-UHFFFAOYSA-N -1 3 320.305 1.747 20 5 DDBDHM COc1cc(CNCc2nnc3n2CCC3)c([N+](=O)[O-])cc1[O-] ZINC001308191942 871477757 /nfs/dbraw/zinc/47/77/57/871477757.db2.gz QRSVBMPDLCAKNF-UHFFFAOYSA-N -1 3 319.321 1.137 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccon2)c([N+](=O)[O-])s1 ZINC001309253769 871557692 /nfs/dbraw/zinc/55/76/92/871557692.db2.gz GBHDNDXYDRQYOZ-UHFFFAOYSA-N -1 3 303.321 1.431 20 5 DDBDHM COC(=O)[C@H](CCO)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001218218446 877424991 /nfs/dbraw/zinc/42/49/91/877424991.db2.gz LHIDKLVRPLPSHT-NSHDSACASA-N -1 3 309.278 1.082 20 5 DDBDHM COC(=O)[C@H](CCO)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001218218446 877425001 /nfs/dbraw/zinc/42/50/01/877425001.db2.gz LHIDKLVRPLPSHT-NSHDSACASA-N -1 3 309.278 1.082 20 5 DDBDHM COC[C@@H](C)OC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690207 883134262 /nfs/dbraw/zinc/13/42/62/883134262.db2.gz HEFWGROIJOVYJU-RKDXNWHRSA-N -1 3 310.310 1.685 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451692006 231164154 /nfs/dbraw/zinc/16/41/54/231164154.db2.gz DISHIPHZYNVAEX-LBPRGKRZSA-N -1 3 314.363 1.749 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000452056445 231283859 /nfs/dbraw/zinc/28/38/59/231283859.db2.gz WLZUEDIODSGOPK-SNVBAGLBSA-N -1 3 320.392 1.404 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(C)(C)O ZINC000286817372 219180683 /nfs/dbraw/zinc/18/06/83/219180683.db2.gz RHOJMZNZWNYQQI-UHFFFAOYSA-N -1 3 313.310 1.818 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)(C)O ZINC000286817372 219180684 /nfs/dbraw/zinc/18/06/84/219180684.db2.gz RHOJMZNZWNYQQI-UHFFFAOYSA-N -1 3 313.310 1.818 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccnn1C ZINC000056040463 352756645 /nfs/dbraw/zinc/75/66/45/352756645.db2.gz PKDVBTYVRHXJKB-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM COCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000056066329 352757568 /nfs/dbraw/zinc/75/75/68/352757568.db2.gz JNHWWSJKDHKKRO-UHFFFAOYSA-N -1 3 318.351 1.308 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(C)n2)cc1[N+](=O)[O-] ZINC000056126631 352760729 /nfs/dbraw/zinc/76/07/29/352760729.db2.gz FOYFSMCGLXERCD-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)on1 ZINC000057922827 352834578 /nfs/dbraw/zinc/83/45/78/352834578.db2.gz FRIYCHTWUXUZBX-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000140149139 354134677 /nfs/dbraw/zinc/13/46/77/354134677.db2.gz XPLJLKKNHHSGFO-VIFPVBQESA-N -1 3 318.351 1.164 20 5 DDBDHM Cc1nn(C)c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1[N+](=O)[O-] ZINC000590558849 355113856 /nfs/dbraw/zinc/11/38/56/355113856.db2.gz XIRYTHUXAQQTDW-UHFFFAOYSA-N -1 3 316.277 1.471 20 5 DDBDHM CN(C)C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000592975213 355759483 /nfs/dbraw/zinc/75/94/83/355759483.db2.gz PHQBFSKPDQQSHA-NSHDSACASA-N -1 3 309.322 1.060 20 5 DDBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593576760 355932221 /nfs/dbraw/zinc/93/22/21/355932221.db2.gz ZUQJSBRFOIAAAZ-UHFFFAOYSA-N -1 3 317.367 1.473 20 5 DDBDHM Cn1ccnc1[C@H]1CNCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593727780 355976997 /nfs/dbraw/zinc/97/69/97/355976997.db2.gz RVALRBHSRMWEPF-CQSZACIVSA-N -1 3 317.349 1.180 20 5 DDBDHM COc1cc(CN[C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1[O-] ZINC000594985856 356368626 /nfs/dbraw/zinc/36/86/26/356368626.db2.gz AYIMBLUQARFXTN-KGLIPLIRSA-N -1 3 308.334 1.702 20 5 DDBDHM CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000594963318 356364425 /nfs/dbraw/zinc/36/44/25/356364425.db2.gz ISXGFLLKGOLALH-KCPJHIHWSA-N -1 3 324.377 1.956 20 5 DDBDHM O=c1[n-]ccc(N2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596061980 356757598 /nfs/dbraw/zinc/75/75/98/356757598.db2.gz RMWZHLPZDYUZOO-UHFFFAOYSA-N -1 3 315.333 1.413 20 5 DDBDHM Cc1csc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596074321 356762753 /nfs/dbraw/zinc/76/27/53/356762753.db2.gz SXHLWJOWFVDPNH-UHFFFAOYSA-N -1 3 321.362 1.787 20 5 DDBDHM CCc1n[nH]c(=O)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1CC ZINC000596160484 356796976 /nfs/dbraw/zinc/79/69/76/356796976.db2.gz NAFDSIXLLDPQMG-UHFFFAOYSA-N -1 3 319.321 1.928 20 5 DDBDHM CS(=O)(=O)[C@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596213057 356816792 /nfs/dbraw/zinc/81/67/92/356816792.db2.gz QMQPCVCFXOISMR-VIFPVBQESA-N -1 3 315.351 1.099 20 5 DDBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179514813 199048247 /nfs/dbraw/zinc/04/82/47/199048247.db2.gz VRLFZCXHDMYBPA-MFKMUULPSA-N -1 3 307.350 1.713 20 5 DDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1COC1 ZINC000599488762 357954644 /nfs/dbraw/zinc/95/46/44/357954644.db2.gz DUIOPYBFZFUMJP-UHFFFAOYSA-N -1 3 323.330 1.068 20 5 DDBDHM CC1(C)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)[N-]C(=O)[C@@H]21 ZINC000601938045 358744459 /nfs/dbraw/zinc/74/44/59/358744459.db2.gz GBCGBODTLHRILT-ZJUUUORDSA-N -1 3 309.709 1.898 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC2CSC2)c(F)cc1[N+](=O)[O-] ZINC000603384244 359607522 /nfs/dbraw/zinc/60/75/22/359607522.db2.gz JRGHCFCOYLRNOO-UHFFFAOYSA-N -1 3 320.367 1.684 20 5 DDBDHM Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])n3C)[n-]2)o1 ZINC000359004124 299304291 /nfs/dbraw/zinc/30/42/91/299304291.db2.gz STSDPLBQALDGQA-UHFFFAOYSA-N -1 3 316.277 1.872 20 5 DDBDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc([N+](=O)[O-])n3C)n2)o1 ZINC000359004124 299304293 /nfs/dbraw/zinc/30/42/93/299304293.db2.gz STSDPLBQALDGQA-UHFFFAOYSA-N -1 3 316.277 1.872 20 5 DDBDHM Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])n3C)n[n-]2)o1 ZINC000359004124 299304298 /nfs/dbraw/zinc/30/42/98/299304298.db2.gz STSDPLBQALDGQA-UHFFFAOYSA-N -1 3 316.277 1.872 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)OC ZINC000619499072 364040256 /nfs/dbraw/zinc/04/02/56/364040256.db2.gz NCYKLVCWAPMCMF-IUCAKERBSA-N -1 3 318.351 1.305 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC000339119219 250303035 /nfs/dbraw/zinc/30/30/35/250303035.db2.gz HFGFDGGUCDFAAS-VHSXEESVSA-N -1 3 318.326 1.772 20 5 DDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289487168 221011850 /nfs/dbraw/zinc/01/18/50/221011850.db2.gz SGSYDSXLJWGPLF-MNOVXSKESA-N -1 3 317.349 1.947 20 5 DDBDHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000122029958 195391932 /nfs/dbraw/zinc/39/19/32/195391932.db2.gz HRSSRQLWRBSRFD-LLVKDONJSA-N -1 3 302.352 1.280 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000032474086 406948126 /nfs/dbraw/zinc/94/81/26/406948126.db2.gz JHRMHNHXHZYXDK-DTWKUNHWSA-N -1 3 300.336 1.538 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000087040745 407115835 /nfs/dbraw/zinc/11/58/35/407115835.db2.gz MWUBTEHLJYTZGL-GFCCVEGCSA-N -1 3 302.352 1.343 20 5 DDBDHM CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000102470764 407323153 /nfs/dbraw/zinc/32/31/53/407323153.db2.gz FIECHHMWDQTPEW-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCO)c1C ZINC000126141632 407406456 /nfs/dbraw/zinc/40/64/56/407406456.db2.gz OOTNBDDPWHYWKD-SNVBAGLBSA-N -1 3 316.379 1.651 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000152280520 407600371 /nfs/dbraw/zinc/60/03/71/407600371.db2.gz OKPXRYYAAORFRL-VIFPVBQESA-N -1 3 302.377 1.769 20 5 DDBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000180394107 407885239 /nfs/dbraw/zinc/88/52/39/407885239.db2.gz NNOXMSNHBSAGRB-UHFFFAOYSA-N -1 3 318.326 1.581 20 5 DDBDHM C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000153818971 407909765 /nfs/dbraw/zinc/90/97/65/407909765.db2.gz BBNICOMBQOIIEM-QWRGUYRKSA-N -1 3 307.350 1.855 20 5 DDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000263771315 408250659 /nfs/dbraw/zinc/25/06/59/408250659.db2.gz CSNWOXFGKBJQGG-NSHDSACASA-N -1 3 316.379 1.915 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)SC)c([N+](=O)[O-])c1 ZINC000269754299 408416908 /nfs/dbraw/zinc/41/69/08/408416908.db2.gz GBEAFXWWVCMRNO-MRVPVSSYSA-N -1 3 320.392 1.633 20 5 DDBDHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000247171992 408422069 /nfs/dbraw/zinc/42/20/69/408422069.db2.gz ZJDCKBBZRMVTCU-CMPLNLGQSA-N -1 3 307.350 1.713 20 5 DDBDHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000184664023 408666094 /nfs/dbraw/zinc/66/60/94/408666094.db2.gz ZENGKGFRBHPMFK-ZDUSSCGKSA-N -1 3 314.363 1.583 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccncc2)c(F)c1 ZINC000193867252 408749616 /nfs/dbraw/zinc/74/96/16/408749616.db2.gz MFIBSPFVLCFDEC-UHFFFAOYSA-N -1 3 311.294 1.607 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCOC(F)F ZINC000193963285 408756098 /nfs/dbraw/zinc/75/60/98/408756098.db2.gz HQXSHDALAJJPQF-UHFFFAOYSA-N -1 3 310.278 1.502 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1(O)CCC1 ZINC000283806986 409219751 /nfs/dbraw/zinc/21/97/51/409219751.db2.gz CJZUMPCXWDMWRJ-UHFFFAOYSA-N -1 3 314.363 1.487 20 5 DDBDHM CN(C)CCn1nccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000294274749 409271481 /nfs/dbraw/zinc/27/14/81/409271481.db2.gz ZJCGNASIICPSGC-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000295299557 409420422 /nfs/dbraw/zinc/42/04/22/409420422.db2.gz OAVZPFVIFRLZGP-LBPRGKRZSA-N -1 3 314.363 1.582 20 5 DDBDHM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295435893 409480536 /nfs/dbraw/zinc/48/05/36/409480536.db2.gz VGXOQQZNLRBISC-LLVKDONJSA-N -1 3 319.361 1.857 20 5 DDBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000356802289 409620167 /nfs/dbraw/zinc/62/01/67/409620167.db2.gz JRLSSQVAZOVEDU-LBPRGKRZSA-N -1 3 305.334 1.609 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1CCN=c1ncnc2[nH][n-]cc1-2 ZINC000349582522 409877033 /nfs/dbraw/zinc/87/70/33/409877033.db2.gz BNMAVSIGYZOKBM-UHFFFAOYSA-N -1 3 318.724 1.943 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C)CCCOC1 ZINC000357420822 410028844 /nfs/dbraw/zinc/02/88/44/410028844.db2.gz OXXZOCTXTVUERV-CYBMUJFWSA-N -1 3 314.363 1.751 20 5 DDBDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352321524 410623355 /nfs/dbraw/zinc/62/33/55/410623355.db2.gz YUUMIASBYVVJCO-RKDXNWHRSA-N -1 3 302.377 1.625 20 5 DDBDHM CN(CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000359480440 410683010 /nfs/dbraw/zinc/68/30/10/410683010.db2.gz LCFHYCYVSLXYAM-UHFFFAOYSA-N -1 3 303.322 2.151 20 5 DDBDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341206673 410937216 /nfs/dbraw/zinc/93/72/16/410937216.db2.gz XGOVPFJCFZDFSI-PWSUYJOCSA-N -1 3 314.363 1.688 20 5 DDBDHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000130645228 196098173 /nfs/dbraw/zinc/09/81/73/196098173.db2.gz NEGRPRHMCYNFNI-UHFFFAOYSA-N -1 3 307.291 1.546 20 5 DDBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])s1 ZINC000361006908 418564683 /nfs/dbraw/zinc/56/46/83/418564683.db2.gz AFCAJFNDXLATAA-UHFFFAOYSA-N -1 3 321.240 1.723 20 5 DDBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])s1 ZINC000361006908 418564685 /nfs/dbraw/zinc/56/46/85/418564685.db2.gz AFCAJFNDXLATAA-UHFFFAOYSA-N -1 3 321.240 1.723 20 5 DDBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])s1 ZINC000361006908 418564688 /nfs/dbraw/zinc/56/46/88/418564688.db2.gz AFCAJFNDXLATAA-UHFFFAOYSA-N -1 3 321.240 1.723 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc3[nH]cnc32)n1 ZINC000191819945 222109874 /nfs/dbraw/zinc/10/98/74/222109874.db2.gz OBDDVDWKQNOWGH-UHFFFAOYSA-N -1 3 300.278 1.940 20 5 DDBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000101577424 292624931 /nfs/dbraw/zinc/62/49/31/292624931.db2.gz NXILSEVKTYJBJY-SNVBAGLBSA-N -1 3 302.352 1.607 20 5 DDBDHM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCC(=O)[O-] ZINC000430660324 420171072 /nfs/dbraw/zinc/17/10/72/420171072.db2.gz DBWQMQWJGDUSTA-SNVBAGLBSA-N -1 3 309.322 1.718 20 5 DDBDHM COC(=O)c1ccc(C)c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1[O-] ZINC000436517711 420337191 /nfs/dbraw/zinc/33/71/91/420337191.db2.gz YFBOQKLKBLHXDD-UHFFFAOYSA-N -1 3 320.261 1.371 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCN1CCC1 ZINC000443738763 230026887 /nfs/dbraw/zinc/02/68/87/230026887.db2.gz MIKDKSKJRXPSPG-UHFFFAOYSA-N -1 3 319.770 1.232 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000492378883 420539515 /nfs/dbraw/zinc/53/95/15/420539515.db2.gz URQNZJHXVRNGPH-DTWKUNHWSA-N -1 3 320.392 1.402 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(F)c1 ZINC000447936067 420823473 /nfs/dbraw/zinc/82/34/73/420823473.db2.gz MBRKESLMAMBGLF-QMMMGPOBSA-N -1 3 320.367 1.765 20 5 DDBDHM O=C(N[C@@H]1CNCCC1(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000449665097 421052330 /nfs/dbraw/zinc/05/23/30/421052330.db2.gz MHTHEOANSVAFSU-SNVBAGLBSA-N -1 3 301.249 1.027 20 5 DDBDHM Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2n1 ZINC000507174161 421425562 /nfs/dbraw/zinc/42/55/62/421425562.db2.gz QTINJNNLUMAUAB-UHFFFAOYSA-N -1 3 314.261 1.299 20 5 DDBDHM CCc1nn(C)c(OC)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184569 422369435 /nfs/dbraw/zinc/36/94/35/422369435.db2.gz MKGZXOHAMPRHLN-UHFFFAOYSA-N -1 3 307.310 1.612 20 5 DDBDHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000344602610 272068445 /nfs/dbraw/zinc/06/84/45/272068445.db2.gz HZOHMGNZUKDXTM-UHFFFAOYSA-N -1 3 321.268 1.678 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000517736462 307436808 /nfs/dbraw/zinc/43/68/08/307436808.db2.gz RYNYIGZPLRNBLL-WDEREUQCSA-N -1 3 314.363 1.667 20 5 DDBDHM O=C([O-])[C@@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000575412873 308276960 /nfs/dbraw/zinc/27/69/60/308276960.db2.gz NJCPREZNAJSSHX-AWEZNQCLSA-N -1 3 316.317 1.475 20 5 DDBDHM CCN(CC(C)(C)O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736514495 598895866 /nfs/dbraw/zinc/89/58/66/598895866.db2.gz ZGRYTAMFPPRAIK-UHFFFAOYSA-N -1 3 306.326 1.372 20 5 DDBDHM CCN(CC(C)(C)O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736514495 598895868 /nfs/dbraw/zinc/89/58/68/598895868.db2.gz ZGRYTAMFPPRAIK-UHFFFAOYSA-N -1 3 306.326 1.372 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCSCCCO ZINC000738358056 598311106 /nfs/dbraw/zinc/31/11/06/598311106.db2.gz KKQAJTCJYCAZLE-UHFFFAOYSA-N -1 3 324.366 1.302 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCSCCCO ZINC000738358056 598311108 /nfs/dbraw/zinc/31/11/08/598311108.db2.gz KKQAJTCJYCAZLE-UHFFFAOYSA-N -1 3 324.366 1.302 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCCSCC2)c(-c2nnn[n-]2)c1 ZINC000738368690 598499475 /nfs/dbraw/zinc/49/94/75/598499475.db2.gz IQVXKFXEFOMFAC-UHFFFAOYSA-N -1 3 307.339 1.113 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCCSCC2)c(-c2nn[n-]n2)c1 ZINC000738368690 598499477 /nfs/dbraw/zinc/49/94/77/598499477.db2.gz IQVXKFXEFOMFAC-UHFFFAOYSA-N -1 3 307.339 1.113 20 5 DDBDHM COCC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736975421 598773379 /nfs/dbraw/zinc/77/33/79/598773379.db2.gz CMEIDMPWFDQVCS-UHFFFAOYSA-N -1 3 319.325 1.033 20 5 DDBDHM COCC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736975421 598773381 /nfs/dbraw/zinc/77/33/81/598773381.db2.gz CMEIDMPWFDQVCS-UHFFFAOYSA-N -1 3 319.325 1.033 20 5 DDBDHM C[C@@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824690545 607562533 /nfs/dbraw/zinc/56/25/33/607562533.db2.gz SZNLEKDTRITCQG-ZJUUUORDSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824690545 607562535 /nfs/dbraw/zinc/56/25/35/607562535.db2.gz SZNLEKDTRITCQG-ZJUUUORDSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000825196160 603705553 /nfs/dbraw/zinc/70/55/53/603705553.db2.gz YTMRINGGJTYQCQ-GHMZBOCLSA-N -1 3 311.342 1.302 20 5 DDBDHM O=[N+]([O-])c1cc(NCCSCCCO)ccc1-c1nnn[n-]1 ZINC000823634474 606645992 /nfs/dbraw/zinc/64/59/92/606645992.db2.gz GVGZOLVTMIDVML-UHFFFAOYSA-N -1 3 324.366 1.302 20 5 DDBDHM CCOC(=O)[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821315484 606831245 /nfs/dbraw/zinc/83/12/45/606831245.db2.gz VBXHMRNXHDWXAE-MRVPVSSYSA-N -1 3 320.309 1.163 20 5 DDBDHM CCOC(=O)[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821315484 606831244 /nfs/dbraw/zinc/83/12/44/606831244.db2.gz VBXHMRNXHDWXAE-MRVPVSSYSA-N -1 3 320.309 1.163 20 5 DDBDHM O=c1ccc([N+](=O)[O-])cn1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823665249 607039477 /nfs/dbraw/zinc/03/94/77/607039477.db2.gz FUJPIOLDGVHARN-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=c1ccc([N+](=O)[O-])cn1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000823665249 607039478 /nfs/dbraw/zinc/03/94/78/607039478.db2.gz FUJPIOLDGVHARN-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CC3(CC(F)C3)C2)c(-c2nnn[n-]2)c1 ZINC000826497951 607809936 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DDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000820766850 704328533 /nfs/dbraw/zinc/32/85/33/704328533.db2.gz DAMZCQNQHLBJQZ-RKDXNWHRSA-N -1 3 304.310 1.389 20 5 DDBDHM CCOC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821373041 704398763 /nfs/dbraw/zinc/39/87/63/704398763.db2.gz CAMZNSWGBPVZMK-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CCOC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821373041 704398766 /nfs/dbraw/zinc/39/87/66/704398766.db2.gz CAMZNSWGBPVZMK-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)NCCCc1c[n-][nH]c1=O ZINC001168403333 744061386 /nfs/dbraw/zinc/06/13/86/744061386.db2.gz HMWBFALSTNOQTR-JTQLQIEISA-N -1 3 304.306 1.145 20 5 DDBDHM CC1(CC(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107419799 749927686 /nfs/dbraw/zinc/92/76/86/749927686.db2.gz INPUOHWGWAELRG-NSCUHMNNSA-N -1 3 320.349 1.970 20 5 DDBDHM CCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097551552 757239779 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)nc1 ZINC001328710063 863163586 /nfs/dbraw/zinc/16/35/86/863163586.db2.gz NXPHHHHLROYPJD-RKDXNWHRSA-N -1 3 303.315 1.549 20 5 DDBDHM O=c1[n-]ccc(S[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC001164364258 869154107 /nfs/dbraw/zinc/15/41/07/869154107.db2.gz GPFFUKSUJSUNBU-ZETCQYMHSA-N -1 3 304.349 1.365 20 5 DDBDHM COC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC001309891322 871604962 /nfs/dbraw/zinc/60/49/62/871604962.db2.gz MHRJVPPMUGJVJU-JTQLQIEISA-N -1 3 317.367 1.187 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000451757619 231185013 /nfs/dbraw/zinc/18/50/13/231185013.db2.gz BJAMMZXARKDNEQ-JTQLQIEISA-N -1 3 316.379 1.731 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](C)O ZINC000451899093 529644861 /nfs/dbraw/zinc/64/48/61/529644861.db2.gz WMOIRCLZJGCOLM-XPUUQOCRSA-N -1 3 308.381 1.402 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000435208043 529694019 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DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000140161345 354134585 /nfs/dbraw/zinc/13/45/85/354134585.db2.gz LJYZTQZBYZBVMS-SECBINFHSA-N -1 3 318.351 1.164 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1 ZINC000371216855 307145115 /nfs/dbraw/zinc/14/51/15/307145115.db2.gz VQIXFLYVVJCYSO-MFKMUULPSA-N -1 3 312.347 1.441 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CSC ZINC000346569049 283127428 /nfs/dbraw/zinc/12/74/28/283127428.db2.gz LZKHTSDCYXGEMA-MRVPVSSYSA-N -1 3 320.392 1.633 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)C(C)C ZINC000593606222 355940238 /nfs/dbraw/zinc/94/02/38/355940238.db2.gz CIZPNODWLCULDQ-JQWIXIFHSA-N -1 3 317.367 1.064 20 5 DDBDHM CN(C)CCn1cc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cn1 ZINC000593863787 356028020 /nfs/dbraw/zinc/02/80/20/356028020.db2.gz DCKYASUEAPPMBN-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(F)c1 ZINC000594800838 356322183 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DDBDHM O=c1[n-]ccc(N2CCn3c(CC4CC4)nnc3C2)c1[N+](=O)[O-] ZINC000596290545 356846953 /nfs/dbraw/zinc/84/69/53/356846953.db2.gz QKBMAACZPDRQGJ-UHFFFAOYSA-N -1 3 316.321 1.260 20 5 DDBDHM CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])OCCCO1 ZINC000276744831 213081675 /nfs/dbraw/zinc/08/16/75/213081675.db2.gz AFHCKIKJXUVAAV-UHFFFAOYSA-N -1 3 316.335 1.026 20 5 DDBDHM CC[C@H](CO)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180324882 199145740 /nfs/dbraw/zinc/14/57/40/199145740.db2.gz OQLUFBCURRNZAS-MRVPVSSYSA-N -1 3 322.770 1.606 20 5 DDBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601422247 358545231 /nfs/dbraw/zinc/54/52/31/358545231.db2.gz RCOYNJPARVVPOM-SECBINFHSA-N -1 3 320.392 1.668 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601452120 358560300 /nfs/dbraw/zinc/56/03/00/358560300.db2.gz FJSOQRUYMNXKOY-BDAKNGLRSA-N -1 3 318.326 1.498 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c(F)c1 ZINC000188316544 200227032 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC1(O)CCC1 ZINC000341097596 251379118 /nfs/dbraw/zinc/37/91/18/251379118.db2.gz XGOINDFNMKXCIE-UHFFFAOYSA-N -1 3 300.336 1.178 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000352478160 285079988 /nfs/dbraw/zinc/07/99/88/285079988.db2.gz SZZNIVIEIAPCIM-VIFPVBQESA-N -1 3 314.363 1.928 20 5 DDBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1C1CC1 ZINC000158161294 197248474 /nfs/dbraw/zinc/24/84/74/197248474.db2.gz XCMZBLGOWDPKEB-VHSXEESVSA-N -1 3 305.334 1.655 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)cc1C ZINC000120517344 195182007 /nfs/dbraw/zinc/18/20/07/195182007.db2.gz JKDZTBKIGDCTGT-QWRGUYRKSA-N -1 3 316.379 1.507 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C ZINC000121589297 195311714 /nfs/dbraw/zinc/31/17/14/195311714.db2.gz YJQRMVOJCSFONP-NXEZZACHSA-N -1 3 300.336 1.359 20 5 DDBDHM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000569931022 304385027 /nfs/dbraw/zinc/38/50/27/304385027.db2.gz SCAHYJJBRIDXNA-SNVBAGLBSA-N -1 3 320.349 1.609 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000089166183 407126670 /nfs/dbraw/zinc/12/66/70/407126670.db2.gz IWAPHLWYKHVQOH-PWSUYJOCSA-N -1 3 314.363 1.343 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cscn2)c(F)c1 ZINC000051159611 407137088 /nfs/dbraw/zinc/13/70/88/407137088.db2.gz ZDFUSGLVYYBCCO-UHFFFAOYSA-N -1 3 317.323 1.669 20 5 DDBDHM C[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000097444847 407294099 /nfs/dbraw/zinc/29/40/99/407294099.db2.gz CAXUZVGBPRHWPN-MRVPVSSYSA-N -1 3 322.770 1.545 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000122867572 407313196 /nfs/dbraw/zinc/31/31/96/407313196.db2.gz OLTFIPGABMPLQE-UHFFFAOYSA-N -1 3 319.408 1.337 20 5 DDBDHM CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111635717 407413034 /nfs/dbraw/zinc/41/30/34/407413034.db2.gz WBHHRFLWSNWZMM-GFCCVEGCSA-N -1 3 307.350 1.905 20 5 DDBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000178828767 407615770 /nfs/dbraw/zinc/61/57/70/407615770.db2.gz SDNFDIRVOBPCBB-UHFFFAOYSA-N -1 3 320.342 1.421 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H](O)C1(C)C ZINC000130200781 407664227 /nfs/dbraw/zinc/66/42/27/407664227.db2.gz KTUKAQSJSDLHNW-WDEREUQCSA-N -1 3 314.363 1.341 20 5 DDBDHM Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c([O-])c1 ZINC000132330937 407782003 /nfs/dbraw/zinc/78/20/03/407782003.db2.gz ZEYIPFDWXRYSLO-UHFFFAOYSA-N -1 3 303.274 1.409 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000268535166 408086732 /nfs/dbraw/zinc/08/67/32/408086732.db2.gz BKAOMDZIUBEYEA-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000268535166 408086737 /nfs/dbraw/zinc/08/67/37/408086737.db2.gz BKAOMDZIUBEYEA-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000268535166 408086745 /nfs/dbraw/zinc/08/67/45/408086745.db2.gz BKAOMDZIUBEYEA-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000121525398 408232500 /nfs/dbraw/zinc/23/25/00/408232500.db2.gz VJVACLGBWNQTEI-ZJUUUORDSA-N -1 3 300.336 1.359 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000190753068 408316379 /nfs/dbraw/zinc/31/63/79/408316379.db2.gz PTGIGYRWDZVKIZ-VIFPVBQESA-N -1 3 302.352 1.525 20 5 DDBDHM COC(C)(C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173725466 162359777 /nfs/dbraw/zinc/35/97/77/162359777.db2.gz MMGQHOAMCZDALI-UHFFFAOYSA-N -1 3 302.352 1.607 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(SCCO)[n-]2)c1 ZINC000270849329 408705640 /nfs/dbraw/zinc/70/56/40/408705640.db2.gz JOTSZIFKIZQXOB-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(SCCO)n[n-]2)c1 ZINC000270849329 408705643 /nfs/dbraw/zinc/70/56/43/408705643.db2.gz JOTSZIFKIZQXOB-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM COCCN1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164535458 408798130 /nfs/dbraw/zinc/79/81/30/408798130.db2.gz NEVTZASHBSSORM-GFCCVEGCSA-N -1 3 323.349 1.141 20 5 DDBDHM CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185183553 408775761 /nfs/dbraw/zinc/77/57/61/408775761.db2.gz DQALASUEXGCNLN-UHFFFAOYSA-N -1 3 307.350 1.714 20 5 DDBDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000276306722 408833106 /nfs/dbraw/zinc/83/31/06/408833106.db2.gz LEDJWMVPPVOPMR-SNVBAGLBSA-N -1 3 302.377 1.767 20 5 DDBDHM CCn1cnnc1[N-]C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000285771856 408861140 /nfs/dbraw/zinc/86/11/40/408861140.db2.gz LFWDLUASWNFZNL-UHFFFAOYSA-N -1 3 321.293 1.232 20 5 DDBDHM O=C(Nc1cnn(CC(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187102923 163004448 /nfs/dbraw/zinc/00/44/48/163004448.db2.gz CNOVIYXISXAGIR-UHFFFAOYSA-N -1 3 313.220 1.409 20 5 DDBDHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000228071723 163340827 /nfs/dbraw/zinc/34/08/27/163340827.db2.gz FGQJMUVXTCSNKC-QMMMGPOBSA-N -1 3 322.770 1.688 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCCO)cc1C ZINC000229156373 163342644 /nfs/dbraw/zinc/34/26/44/163342644.db2.gz ABNKGFDGVJFQAE-UHFFFAOYSA-N -1 3 316.379 1.653 20 5 DDBDHM COCCCO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288155614 409155717 /nfs/dbraw/zinc/15/57/17/409155717.db2.gz NYXPEBOWDCEIBK-UHFFFAOYSA-N -1 3 307.306 1.703 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000288244253 409160329 /nfs/dbraw/zinc/16/03/29/409160329.db2.gz FUGPUBYMGORHRX-WCQYABFASA-N -1 3 319.361 1.999 20 5 DDBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000308674530 409784964 /nfs/dbraw/zinc/78/49/64/409784964.db2.gz HEOSEOAYZDTOQG-UHFFFAOYSA-N -1 3 319.358 1.352 20 5 DDBDHM O=C(c1[n-]nc2ccc([N+](=O)[O-])cc21)N1CCCn2nccc21 ZINC000357171044 409918818 /nfs/dbraw/zinc/91/88/18/409918818.db2.gz ZTFQSABZJKBWNY-UHFFFAOYSA-N -1 3 312.289 1.718 20 5 DDBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCCn2nccc21 ZINC000357171044 409918822 /nfs/dbraw/zinc/91/88/22/409918822.db2.gz ZTFQSABZJKBWNY-UHFFFAOYSA-N -1 3 312.289 1.718 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC(C)(C)CO)c1 ZINC000297237672 409870085 /nfs/dbraw/zinc/87/00/85/409870085.db2.gz PCLQMFVRKPVRGU-UHFFFAOYSA-N -1 3 312.322 1.491 20 5 DDBDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000357297944 409962772 /nfs/dbraw/zinc/96/27/72/409962772.db2.gz BPIDFGQJBMRBDU-UHFFFAOYSA-N -1 3 320.261 1.365 20 5 DDBDHM C[C@@H]1[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCCN1C ZINC000343497495 410494743 /nfs/dbraw/zinc/49/47/43/410494743.db2.gz DPTXECOQXSRXBH-MFKMUULPSA-N -1 3 317.349 2.539 20 5 DDBDHM CCCN1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000343613031 410570445 /nfs/dbraw/zinc/57/04/45/410570445.db2.gz QNMUYXFVRSHMGA-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)o1 ZINC000353374119 410946954 /nfs/dbraw/zinc/94/69/54/410946954.db2.gz LCVHPYLOIJVFJK-UHFFFAOYSA-N -1 3 310.287 1.844 20 5 DDBDHM CNc1c(C(=O)NCc2cnc(C)[n-]c2=O)cccc1[N+](=O)[O-] ZINC000360930986 418550034 /nfs/dbraw/zinc/55/00/34/418550034.db2.gz LHDKRMOKJREZRL-UHFFFAOYSA-N -1 3 317.305 1.371 20 5 DDBDHM Cc1ccn2c(c1)nnc2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193688647 222161887 /nfs/dbraw/zinc/16/18/87/222161887.db2.gz QWMSCMWESQCQSJ-UHFFFAOYSA-N -1 3 314.261 1.299 20 5 DDBDHM NC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000361985150 418735024 /nfs/dbraw/zinc/73/50/24/418735024.db2.gz XLGKOUNUYWMTQX-UHFFFAOYSA-N -1 3 302.246 1.047 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000428383032 419857779 /nfs/dbraw/zinc/85/77/79/419857779.db2.gz QOYVGMDITZYBEL-VIFPVBQESA-N -1 3 324.305 1.030 20 5 DDBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@H](CO)CC(F)F)n2)cc1 ZINC000428654201 419910690 /nfs/dbraw/zinc/91/06/90/419910690.db2.gz BGAMQPZMXQPFAN-QMMMGPOBSA-N -1 3 314.248 2.073 20 5 DDBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000436970273 420388675 /nfs/dbraw/zinc/38/86/75/420388675.db2.gz COQVBLXCBOIGMC-LBPRGKRZSA-N -1 3 305.334 1.609 20 5 DDBDHM Cn1cccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439225678 420500659 /nfs/dbraw/zinc/50/06/59/420500659.db2.gz SKAHXYGZFRLCTG-UHFFFAOYSA-N -1 3 313.310 1.551 20 5 DDBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000457084759 420606114 /nfs/dbraw/zinc/60/61/14/420606114.db2.gz GPSAVXNXFSVTOK-LLVKDONJSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1ccc([O-])c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000447630821 420788562 /nfs/dbraw/zinc/78/85/62/420788562.db2.gz SMEGCBAKMGOXQF-UHFFFAOYSA-N -1 3 305.294 1.574 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000449430586 421011168 /nfs/dbraw/zinc/01/11/68/421011168.db2.gz BZKNDTNBZYKUSW-XFJVYGCCSA-N -1 3 322.361 1.662 20 5 DDBDHM COCCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000514865453 421462422 /nfs/dbraw/zinc/46/24/22/421462422.db2.gz VOESOKMNJOECMA-UHFFFAOYSA-N -1 3 323.349 1.816 20 5 DDBDHM CCN1CCCC[C@H]1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034735 421595433 /nfs/dbraw/zinc/59/54/33/421595433.db2.gz FNLZGGXWPNQEAW-NSHDSACASA-N -1 3 322.365 2.283 20 5 DDBDHM C[C@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)c1nnn[n-]1 ZINC000575041870 422241735 /nfs/dbraw/zinc/24/17/35/422241735.db2.gz NLNBPFFECZRHTI-SECBINFHSA-N -1 3 317.353 1.622 20 5 DDBDHM C[C@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)c1nn[n-]n1 ZINC000575041870 422241741 /nfs/dbraw/zinc/24/17/41/422241741.db2.gz NLNBPFFECZRHTI-SECBINFHSA-N -1 3 317.353 1.622 20 5 DDBDHM CN1CC[C@@]2(CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C2)C1 ZINC000293931287 290187555 /nfs/dbraw/zinc/18/75/55/290187555.db2.gz QJCNOXGLDZDKNA-OAHLLOKOSA-N -1 3 305.334 1.468 20 5 DDBDHM Cn1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000356154256 306839352 /nfs/dbraw/zinc/83/93/52/306839352.db2.gz FQUBHUJSQKTBID-UHFFFAOYSA-N -1 3 314.261 1.229 20 5 DDBDHM C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000364804073 307051778 /nfs/dbraw/zinc/05/17/78/307051778.db2.gz GAVRDQIHIBYRTN-QWRGUYRKSA-N -1 3 305.334 1.609 20 5 DDBDHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736406843 598677489 /nfs/dbraw/zinc/67/74/89/598677489.db2.gz LRQUJMZLTLNRBB-ONGXEEELSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736406843 598677490 /nfs/dbraw/zinc/67/74/90/598677490.db2.gz LRQUJMZLTLNRBB-ONGXEEELSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736405289 598678015 /nfs/dbraw/zinc/67/80/15/598678015.db2.gz FWSMMAJBHXBZBI-KOLCDFICSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736405289 598678016 /nfs/dbraw/zinc/67/80/16/598678016.db2.gz FWSMMAJBHXBZBI-KOLCDFICSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736327765 598773814 /nfs/dbraw/zinc/77/38/14/598773814.db2.gz GBDYUVQBWWJCOT-YMTOWFKASA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736327765 598773816 /nfs/dbraw/zinc/77/38/16/598773816.db2.gz GBDYUVQBWWJCOT-YMTOWFKASA-N -1 3 320.353 1.984 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822698855 599316864 /nfs/dbraw/zinc/31/68/64/599316864.db2.gz IIAIIIHMNUUBAQ-UHFFFAOYSA-N -1 3 321.684 1.954 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822698855 599316870 /nfs/dbraw/zinc/31/68/70/599316870.db2.gz IIAIIIHMNUUBAQ-UHFFFAOYSA-N -1 3 321.684 1.954 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738369312 599333844 /nfs/dbraw/zinc/33/38/44/599333844.db2.gz KUAHRDUTVJSLOJ-UHFFFAOYSA-N -1 3 309.289 1.864 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738369312 599333847 /nfs/dbraw/zinc/33/38/47/599333847.db2.gz KUAHRDUTVJSLOJ-UHFFFAOYSA-N -1 3 309.289 1.864 20 5 DDBDHM CN(C[C@@H]1CCC[C@@H]1O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825909423 607852081 /nfs/dbraw/zinc/85/20/81/607852081.db2.gz YHIWTNIJCSVKHE-GWCFXTLKSA-N -1 3 318.337 1.372 20 5 DDBDHM CN(C[C@@H]1CCC[C@@H]1O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825909423 607852082 /nfs/dbraw/zinc/85/20/82/607852082.db2.gz YHIWTNIJCSVKHE-GWCFXTLKSA-N -1 3 318.337 1.372 20 5 DDBDHM CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597692 606474238 /nfs/dbraw/zinc/47/42/38/606474238.db2.gz CWHUOVCNNULZCP-SECBINFHSA-N -1 3 304.310 1.248 20 5 DDBDHM CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597692 606474239 /nfs/dbraw/zinc/47/42/39/606474239.db2.gz CWHUOVCNNULZCP-SECBINFHSA-N -1 3 304.310 1.248 20 5 DDBDHM C[C@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[S@](C)=O ZINC000820242694 607041528 /nfs/dbraw/zinc/04/15/28/607041528.db2.gz PKGAKBOJCCDETG-PJLCYMMNSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[S@](C)=O ZINC000820242694 607041530 /nfs/dbraw/zinc/04/15/30/607041530.db2.gz PKGAKBOJCCDETG-PJLCYMMNSA-N -1 3 324.366 1.344 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)nc1 ZINC000826499106 607936078 /nfs/dbraw/zinc/93/60/78/607936078.db2.gz WAKOTWSYAOHCPZ-UHFFFAOYSA-N -1 3 309.289 1.864 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(-c4nn[n-]n4)cc32)nc1 ZINC000826499106 607936079 /nfs/dbraw/zinc/93/60/79/607936079.db2.gz WAKOTWSYAOHCPZ-UHFFFAOYSA-N -1 3 309.289 1.864 20 5 DDBDHM C[C@H]1CCOCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824966577 608416602 /nfs/dbraw/zinc/41/66/02/608416602.db2.gz BSSZFPGJHGMJNO-VIFPVBQESA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@H]1CCOCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824966577 608416604 /nfs/dbraw/zinc/41/66/04/608416604.db2.gz BSSZFPGJHGMJNO-VIFPVBQESA-N -1 3 304.310 1.390 20 5 DDBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCN1CCCC1 ZINC000157113014 696973515 /nfs/dbraw/zinc/97/35/15/696973515.db2.gz DUFYZDXDEGYNQL-UHFFFAOYSA-N -1 3 317.342 1.108 20 5 DDBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])o1 ZINC000837334280 707622641 /nfs/dbraw/zinc/62/26/41/707622641.db2.gz GXKUDLIMXGVVOF-UHFFFAOYSA-N -1 3 305.246 1.918 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c(F)cc1[N+](=O)[O-] ZINC000885491995 708558875 /nfs/dbraw/zinc/55/88/75/708558875.db2.gz IFCJXBYREOFGCA-UFBFGSQYSA-N -1 3 316.310 1.110 20 5 DDBDHM O=C([O-])Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000910351159 709906257 /nfs/dbraw/zinc/90/62/57/709906257.db2.gz DXXZPRZOIMUCTA-LLVKDONJSA-N -1 3 305.334 1.871 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2C)c([N+](=O)[O-])s1 ZINC000921500071 713790675 /nfs/dbraw/zinc/79/06/75/713790675.db2.gz KTNZVNHPABTOLX-HTRCEHHLSA-N -1 3 306.365 1.278 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H](C)O ZINC001211842745 740158056 /nfs/dbraw/zinc/15/80/56/740158056.db2.gz GFABXAXYWLOHHL-YUMQZZPRSA-N -1 3 308.381 1.402 20 5 DDBDHM CC(=O)CCCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101499062 741655212 /nfs/dbraw/zinc/65/52/12/741655212.db2.gz QIPXYXONGZLAID-UHFFFAOYSA-N -1 3 324.337 1.325 20 5 DDBDHM CCC1(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001056004233 760899736 /nfs/dbraw/zinc/89/97/36/760899736.db2.gz PXCJACYDKFVINX-UHFFFAOYSA-N -1 3 320.349 1.534 20 5 DDBDHM COCCCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096989558 771558226 /nfs/dbraw/zinc/55/82/26/771558226.db2.gz IPPAWQRDYXHPPB-MGCOHNPYSA-N -1 3 324.337 1.181 20 5 DDBDHM CC1(C)C(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC001093541295 774812620 /nfs/dbraw/zinc/81/26/20/774812620.db2.gz PRGRUYHNVRJXBA-UHFFFAOYSA-N -1 3 322.365 1.906 20 5 DDBDHM CC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC=CC1 ZINC001094769930 776258596 /nfs/dbraw/zinc/25/85/96/776258596.db2.gz QVGQDWNNZIGNKL-UHFFFAOYSA-N -1 3 320.349 1.970 20 5 DDBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001163852166 868757083 /nfs/dbraw/zinc/75/70/83/868757083.db2.gz NLXROGMZIKDOSG-UHFFFAOYSA-N -1 3 324.300 1.862 20 5 DDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300195339 877117512 /nfs/dbraw/zinc/11/75/12/877117512.db2.gz UKIGIEMDCVBMJA-MRVPVSSYSA-N -1 3 320.280 1.792 20 5 DDBDHM COC(=O)C1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227693149 883135518 /nfs/dbraw/zinc/13/55/18/883135518.db2.gz MIYHCALEAQTJEO-UHFFFAOYSA-N -1 3 320.305 1.977 20 5 DDBDHM O=c1[n-]c(C2CC2)nc(O[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001228604844 883567705 /nfs/dbraw/zinc/56/77/05/883567705.db2.gz WXADJCGHHYNZGO-SNVBAGLBSA-N -1 3 306.322 1.441 20 5 DDBDHM CN1CC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228862631 883701952 /nfs/dbraw/zinc/70/19/52/883701952.db2.gz OZMPSARDBYLICL-ZCFIWIBFSA-N -1 3 307.228 1.797 20 5 DDBDHM CN1CC[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228862631 883701956 /nfs/dbraw/zinc/70/19/56/883701956.db2.gz OZMPSARDBYLICL-ZCFIWIBFSA-N -1 3 307.228 1.797 20 5 DDBDHM Cc1csc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000451331451 231068629 /nfs/dbraw/zinc/06/86/29/231068629.db2.gz SHSUMZZAVDQFOL-UHFFFAOYSA-N -1 3 316.364 1.140 20 5 DDBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC000045574567 352415635 /nfs/dbraw/zinc/41/56/35/352415635.db2.gz BCTMWZZKYMCALW-UHFFFAOYSA-N -1 3 316.273 1.064 20 5 DDBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000066870881 353020645 /nfs/dbraw/zinc/02/06/45/353020645.db2.gz QLNSJOKYUJWEFE-UHFFFAOYSA-N -1 3 317.342 1.106 20 5 DDBDHM Cc1nc(C)c(CC(=O)NCc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000067329924 353044225 /nfs/dbraw/zinc/04/42/25/353044225.db2.gz APZLGOUNRCLUGH-UHFFFAOYSA-N -1 3 316.317 1.154 20 5 DDBDHM Cc1cnn(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000117927688 353996149 /nfs/dbraw/zinc/99/61/49/353996149.db2.gz RMXPTDLILWLYDQ-UHFFFAOYSA-N -1 3 324.362 1.387 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CS1 ZINC000593608760 355940877 /nfs/dbraw/zinc/94/08/77/355940877.db2.gz QUWAFRAFEKOHRS-SFYZADRCSA-N -1 3 303.365 1.162 20 5 DDBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593598919 355937931 /nfs/dbraw/zinc/93/79/31/355937931.db2.gz OKOVDENDRYUAGD-IONNQARKSA-N -1 3 303.365 1.020 20 5 DDBDHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593613404 355942909 /nfs/dbraw/zinc/94/29/09/355942909.db2.gz UHOQFAQLDVEPGS-UHFFFAOYSA-N -1 3 315.351 1.085 20 5 DDBDHM O=C1CCCN1Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653486 356276187 /nfs/dbraw/zinc/27/61/87/356276187.db2.gz WPNFSAIXJPXUSS-UHFFFAOYSA-N -1 3 303.278 1.004 20 5 DDBDHM O=c1[n-]ccc(NCCc2cn3c(n2)CCCC3)c1[N+](=O)[O-] ZINC000596072433 356762128 /nfs/dbraw/zinc/76/21/28/356762128.db2.gz AKDCJRWZQOSXGO-UHFFFAOYSA-N -1 3 303.322 1.883 20 5 DDBDHM CC(C)(C)OC(=O)[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596195276 356809447 /nfs/dbraw/zinc/80/94/47/356809447.db2.gz LRODDHRZYJNEJR-CYBMUJFWSA-N -1 3 313.310 1.200 20 5 DDBDHM O=c1[n-]ccc(N2CC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596241726 356829724 /nfs/dbraw/zinc/82/97/24/356829724.db2.gz JBXKFMZUQYWDNG-MRXNPFEDSA-N -1 3 315.329 1.836 20 5 DDBDHM C[C@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CS1(=O)=O ZINC000596464699 356888913 /nfs/dbraw/zinc/88/89/13/356888913.db2.gz KGOZMWAEXJYNPU-JGVFFNPUSA-N -1 3 301.324 1.073 20 5 DDBDHM C[C@@H](C(=O)NCCCc1cc(=O)[nH][n-]1)c1cccc([N+](=O)[O-])c1 ZINC000597664952 357274874 /nfs/dbraw/zinc/27/48/74/357274874.db2.gz PQHWXRNSYJPZEM-SNVBAGLBSA-N -1 3 318.333 1.471 20 5 DDBDHM CC(C)(C)N1CC[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597921009 357381952 /nfs/dbraw/zinc/38/19/52/357381952.db2.gz DQVWGKOXBMCIAZ-JTQLQIEISA-N -1 3 307.350 1.903 20 5 DDBDHM O=c1nc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)[nH][n-]1 ZINC000281084905 216068904 /nfs/dbraw/zinc/06/89/04/216068904.db2.gz UVOGPKCFJHPCAF-UHFFFAOYSA-N -1 3 303.322 1.386 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cocn1 ZINC000609353526 360301175 /nfs/dbraw/zinc/30/11/75/360301175.db2.gz UGVSNKXIIURCKI-UHFFFAOYSA-N -1 3 313.291 1.070 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2cc(C(N)=O)sc2C)c1[N+](=O)[O-] ZINC000611130587 360631554 /nfs/dbraw/zinc/63/15/54/360631554.db2.gz BSIICONUHRKZQU-UHFFFAOYSA-N -1 3 323.334 1.601 20 5 DDBDHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000351578031 284389664 /nfs/dbraw/zinc/38/96/64/284389664.db2.gz ABOAPYIPPDVNLW-BYCRGOAPSA-N -1 3 314.363 1.509 20 5 DDBDHM C[C@@H](CN1CCCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160016756 197380135 /nfs/dbraw/zinc/38/01/35/197380135.db2.gz WRFXFXJKAQUVTJ-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000339119215 250303135 /nfs/dbraw/zinc/30/31/35/250303135.db2.gz HFGFDGGUCDFAAS-NXEZZACHSA-N -1 3 318.326 1.772 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccncc1 ZINC000119932208 195065232 /nfs/dbraw/zinc/06/52/32/195065232.db2.gz MHUHYKQXVWYVJO-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188640460 285983579 /nfs/dbraw/zinc/98/35/79/285983579.db2.gz NEMXBMMIAASFFN-UHFFFAOYSA-N -1 3 316.379 1.997 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)C(F)F)c1C ZINC000435633491 292291880 /nfs/dbraw/zinc/29/18/80/292291880.db2.gz CKDCOVQLWACFKX-SECBINFHSA-N -1 3 324.305 1.116 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C ZINC000032474084 406948013 /nfs/dbraw/zinc/94/80/13/406948013.db2.gz JHRMHNHXHZYXDK-IUCAKERBSA-N -1 3 300.336 1.538 20 5 DDBDHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000086014748 407109446 /nfs/dbraw/zinc/10/94/46/407109446.db2.gz OFNXSVFTNZAXSK-SSDOTTSWSA-N -1 3 308.743 1.297 20 5 DDBDHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000094947114 407204751 /nfs/dbraw/zinc/20/47/51/407204751.db2.gz DHZKHVZLBQPQKL-QMMMGPOBSA-N -1 3 322.770 1.688 20 5 DDBDHM CCN(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123364226 407327025 /nfs/dbraw/zinc/32/70/25/407327025.db2.gz FPWFULCWLSGXHQ-UHFFFAOYSA-N -1 3 307.397 1.195 20 5 DDBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228560790 407651598 /nfs/dbraw/zinc/65/15/98/407651598.db2.gz DCWZPOSNZNZRJC-LBPRGKRZSA-N -1 3 302.352 1.424 20 5 DDBDHM CC(C)OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186588105 407711888 /nfs/dbraw/zinc/71/18/88/407711888.db2.gz XINYYASKDUBEPJ-UHFFFAOYSA-N -1 3 322.770 1.952 20 5 DDBDHM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000272101818 407775570 /nfs/dbraw/zinc/77/55/70/407775570.db2.gz LWRCOWZCYNHKKT-UHFFFAOYSA-N -1 3 313.260 1.081 20 5 DDBDHM COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179481379 407791748 /nfs/dbraw/zinc/79/17/48/407791748.db2.gz PQVQGGNATDZSMZ-LBPRGKRZSA-N -1 3 323.349 1.141 20 5 DDBDHM Cc1nc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)cn1C ZINC000154302917 408015770 /nfs/dbraw/zinc/01/57/70/408015770.db2.gz VYQDEOOOAUWZNR-UHFFFAOYSA-N -1 3 324.362 1.158 20 5 DDBDHM CN(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000136440074 408106855 /nfs/dbraw/zinc/10/68/55/408106855.db2.gz MEVLKLQPBYPYBO-UHFFFAOYSA-N -1 3 307.759 1.088 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CCOC(C)C)c([N+](=O)[O-])c1 ZINC000273390423 408178272 /nfs/dbraw/zinc/17/82/72/408178272.db2.gz DETSSUCESZAQSH-UHFFFAOYSA-N -1 3 318.351 1.307 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157720911 408313791 /nfs/dbraw/zinc/31/37/91/408313791.db2.gz POIOPKJWZUBKDM-CMPLNLGQSA-N -1 3 314.363 1.831 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCSCC1 ZINC000195141734 163309090 /nfs/dbraw/zinc/30/90/90/163309090.db2.gz QKXUMBSSVZKBRN-UHFFFAOYSA-N -1 3 302.377 1.769 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000293748562 409172231 /nfs/dbraw/zinc/17/22/31/409172231.db2.gz IMSMSSQJVUYYHN-LBPRGKRZSA-N -1 3 314.363 1.607 20 5 DDBDHM O=c1nc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)[nH][n-]1 ZINC000289167308 409227094 /nfs/dbraw/zinc/22/70/94/409227094.db2.gz FAWVWDBCVHEWGH-NSHDSACASA-N -1 3 303.322 1.386 20 5 DDBDHM C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295720222 409365315 /nfs/dbraw/zinc/36/53/15/409365315.db2.gz LOPNCAVMBRSMSZ-SECBINFHSA-N -1 3 320.342 1.563 20 5 DDBDHM Cn1ccnc1-c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])n[n-]1 ZINC000295155373 409348788 /nfs/dbraw/zinc/34/87/88/409348788.db2.gz CNCBWDFUOOERLQ-UHFFFAOYSA-N -1 3 306.326 1.584 20 5 DDBDHM Cn1ccnc1-c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])[n-]n1 ZINC000295155373 409348793 /nfs/dbraw/zinc/34/87/93/409348793.db2.gz CNCBWDFUOOERLQ-UHFFFAOYSA-N -1 3 306.326 1.584 20 5 DDBDHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000351606727 410101698 /nfs/dbraw/zinc/10/16/98/410101698.db2.gz FCJXJXZUVBZWTN-XADBCAIWSA-N -1 3 318.326 1.339 20 5 DDBDHM CCN1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393611 410154420 /nfs/dbraw/zinc/15/44/20/410154420.db2.gz KQKNBXFHDKXJQD-HZPDHXFCSA-N -1 3 321.377 1.595 20 5 DDBDHM CCCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000359991614 410990002 /nfs/dbraw/zinc/99/00/02/410990002.db2.gz HIMYYGCKBIIOKK-UHFFFAOYSA-N -1 3 303.340 1.602 20 5 DDBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000344307233 411083912 /nfs/dbraw/zinc/08/39/12/411083912.db2.gz LOLXJCYBORSSJE-UHFFFAOYSA-N -1 3 316.364 1.475 20 5 DDBDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000443936785 533681999 /nfs/dbraw/zinc/68/19/99/533681999.db2.gz PYPVYAYDWKTENO-UHFFFAOYSA-N -1 3 323.330 1.477 20 5 DDBDHM COc1ccc(CNC(=O)c2c([O-])cccc2O)cc1[N+](=O)[O-] ZINC000436649975 420350182 /nfs/dbraw/zinc/35/01/82/420350182.db2.gz XGLXOZFGRSZPFM-UHFFFAOYSA-N -1 3 318.285 1.945 20 5 DDBDHM CCCN1CCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436706256 420359480 /nfs/dbraw/zinc/35/94/80/420359480.db2.gz OZAYHNADKLTWEO-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000416528646 420407034 /nfs/dbraw/zinc/40/70/34/420407034.db2.gz DCWPBFSFCTUOMO-APPZFPTMSA-N -1 3 320.392 1.811 20 5 DDBDHM COc1nc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n[n-]1 ZINC000486952767 420993260 /nfs/dbraw/zinc/99/32/60/420993260.db2.gz YWHXNRHLBGHNBO-UHFFFAOYSA-N -1 3 313.220 1.181 20 5 DDBDHM COc1nnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC000486952767 420993263 /nfs/dbraw/zinc/99/32/63/420993263.db2.gz YWHXNRHLBGHNBO-UHFFFAOYSA-N -1 3 313.220 1.181 20 5 DDBDHM COc1n[n-]c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000486952767 420993267 /nfs/dbraw/zinc/99/32/67/420993267.db2.gz YWHXNRHLBGHNBO-UHFFFAOYSA-N -1 3 313.220 1.181 20 5 DDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)c1 ZINC000515655758 421513044 /nfs/dbraw/zinc/51/30/44/421513044.db2.gz OWORJAWLQZPMCL-GFCCVEGCSA-N -1 3 323.349 1.552 20 5 DDBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1csc([N+](=O)[O-])c1 ZINC000590557912 422320314 /nfs/dbraw/zinc/32/03/14/422320314.db2.gz KHYIRFQUQQBEKT-UHFFFAOYSA-N -1 3 304.287 2.491 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000344949339 272144412 /nfs/dbraw/zinc/14/44/12/272144412.db2.gz QCMLXHCJDQWDNE-RKDXNWHRSA-N -1 3 318.326 1.772 20 5 DDBDHM CC(C)c1ccc(C(=O)[N-]N2CCCNC2=O)cc1[N+](=O)[O-] ZINC000276135461 278030984 /nfs/dbraw/zinc/03/09/84/278030984.db2.gz OPFWUPHFWUSURF-UHFFFAOYSA-N -1 3 306.322 1.778 20 5 DDBDHM CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000155693472 290317246 /nfs/dbraw/zinc/31/72/46/290317246.db2.gz AAXLGUHWNYLJGU-WDEREUQCSA-N -1 3 305.334 1.609 20 5 DDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000357001245 298938834 /nfs/dbraw/zinc/93/88/34/298938834.db2.gz SOQRWIPWFCMZBR-UHFFFAOYSA-N -1 3 318.264 1.428 20 5 DDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000362289087 300044539 /nfs/dbraw/zinc/04/45/39/300044539.db2.gz UTVKOGROQACHAL-UHFFFAOYSA-N -1 3 321.684 1.277 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1O ZINC000052005501 302048120 /nfs/dbraw/zinc/04/81/20/302048120.db2.gz UGRVZWANXSQKPQ-PWSUYJOCSA-N -1 3 314.363 1.485 20 5 DDBDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000398515865 302358746 /nfs/dbraw/zinc/35/87/46/302358746.db2.gz AOQPMKNUJFSJMW-LLVKDONJSA-N -1 3 316.379 1.733 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cn(C)cn1 ZINC000416536389 302378538 /nfs/dbraw/zinc/37/85/38/302378538.db2.gz PSIZTEXXTOCVCT-UHFFFAOYSA-N -1 3 324.362 1.158 20 5 DDBDHM NC(=O)c1ccnc(NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000357507287 306890101 /nfs/dbraw/zinc/89/01/01/306890101.db2.gz XLFXHTOBFNMRHU-UHFFFAOYSA-N -1 3 306.253 1.546 20 5 DDBDHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1[O-] ZINC000532145218 303277315 /nfs/dbraw/zinc/27/73/15/303277315.db2.gz WTTJXAFUADHKRA-UHFFFAOYSA-N -1 3 317.257 1.734 20 5 DDBDHM CNc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC000548304612 307763423 /nfs/dbraw/zinc/76/34/23/307763423.db2.gz RWYALLORDIAZKZ-UHFFFAOYSA-N -1 3 319.277 1.398 20 5 DDBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000452065726 527757593 /nfs/dbraw/zinc/75/75/93/527757593.db2.gz IZHQOQWLXJMADA-ZYHUDNBSSA-N -1 3 314.363 1.831 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416612754 529197851 /nfs/dbraw/zinc/19/78/51/529197851.db2.gz DELQGYDBHXFWQR-ZWNOBZJWSA-N -1 3 316.379 1.669 20 5 DDBDHM CC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736407219 599065436 /nfs/dbraw/zinc/06/54/36/599065436.db2.gz PAOFKDNQWVEYPL-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM CC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736407219 599065438 /nfs/dbraw/zinc/06/54/38/599065438.db2.gz PAOFKDNQWVEYPL-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820777361 599074704 /nfs/dbraw/zinc/07/47/04/599074704.db2.gz QWQHIHYGSDDHDG-OCAPTIKFSA-N -1 3 321.366 1.500 20 5 DDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820777361 599074707 /nfs/dbraw/zinc/07/47/07/599074707.db2.gz QWQHIHYGSDDHDG-OCAPTIKFSA-N -1 3 321.366 1.500 20 5 DDBDHM O=[N+]([O-])c1ccccc1OCCn1cc(-c2nnn[n-]2)cn1 ZINC000738370566 599341429 /nfs/dbraw/zinc/34/14/29/599341429.db2.gz WAXBPUUOQVNJBH-UHFFFAOYSA-N -1 3 301.266 1.050 20 5 DDBDHM O=[N+]([O-])c1ccccc1OCCn1cc(-c2nn[n-]n2)cn1 ZINC000738370566 599341430 /nfs/dbraw/zinc/34/14/30/599341430.db2.gz WAXBPUUOQVNJBH-UHFFFAOYSA-N -1 3 301.266 1.050 20 5 DDBDHM COC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821683575 599588092 /nfs/dbraw/zinc/58/80/92/599588092.db2.gz FATJDELSGTVRDA-NSHDSACASA-N -1 3 306.326 1.858 20 5 DDBDHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000821683575 599588095 /nfs/dbraw/zinc/58/80/95/599588095.db2.gz FATJDELSGTVRDA-NSHDSACASA-N -1 3 306.326 1.858 20 5 DDBDHM Cc1nn(CN2CC[C@](C)(C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016819 601888210 /nfs/dbraw/zinc/88/82/10/601888210.db2.gz IZEJJPAIRFXLEU-AWEZNQCLSA-N -1 3 319.321 1.402 20 5 DDBDHM Cc1nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833016803 602198905 /nfs/dbraw/zinc/19/89/05/602198905.db2.gz IBUOXCJPQZOJQR-NOZJJQNGSA-N -1 3 318.333 1.863 20 5 DDBDHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000833834053 605888388 /nfs/dbraw/zinc/88/83/88/605888388.db2.gz MCLVFHLEBRMMRE-RYUDHWBXSA-N -1 3 323.349 1.952 20 5 DDBDHM O=[N+]([O-])c1ccn(CCSc2cc(-c3nnn[n-]3)ccn2)n1 ZINC000823648023 606330223 /nfs/dbraw/zinc/33/02/23/606330223.db2.gz RWHNLEAFLXOUJP-UHFFFAOYSA-N -1 3 318.322 1.159 20 5 DDBDHM O=[N+]([O-])c1ccn(CCSc2cc(-c3nn[n-]n3)ccn2)n1 ZINC000823648023 606330225 /nfs/dbraw/zinc/33/02/25/606330225.db2.gz RWHNLEAFLXOUJP-UHFFFAOYSA-N -1 3 318.322 1.159 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CC[C@H](CO)CC1 ZINC000823630012 607046263 /nfs/dbraw/zinc/04/62/63/607046263.db2.gz PNRBXWMGFPCAAC-HOMQSWHASA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CC[C@H](CO)CC1 ZINC000823630012 607046265 /nfs/dbraw/zinc/04/62/65/607046265.db2.gz PNRBXWMGFPCAAC-HOMQSWHASA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CC[C@H](O)CC1 ZINC000826497872 607810572 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Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000010493106 696039704 /nfs/dbraw/zinc/03/97/04/696039704.db2.gz SHCOQWAZRRVPBT-UHFFFAOYSA-N -1 3 315.282 1.842 20 5 DDBDHM Cc1c([O-])ccc2c(Cn3cnc([N+](=O)[O-])c3)cc(=O)oc12 ZINC000026123162 696094679 /nfs/dbraw/zinc/09/46/79/696094679.db2.gz QQUMMCQTYQFZNZ-UHFFFAOYSA-N -1 3 301.258 1.960 20 5 DDBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000775470645 697999447 /nfs/dbraw/zinc/99/94/47/697999447.db2.gz GSIDZTYNAKNPAG-UHFFFAOYSA-N -1 3 315.282 1.842 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c(F)c1 ZINC000751444207 700289963 /nfs/dbraw/zinc/28/99/63/700289963.db2.gz YVFPIACMRSSMRQ-LLVKDONJSA-N -1 3 318.326 1.173 20 5 DDBDHM CC1(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)OCCO1 ZINC000853437497 704239950 /nfs/dbraw/zinc/23/99/50/704239950.db2.gz AEZJWZQMFBZKBN-UHFFFAOYSA-N -1 3 309.322 1.675 20 5 DDBDHM CC(C)C[C@H]1CN(C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000886597442 708787586 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DDBDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2ncccc2[O-])CC1 ZINC000560359614 421253447 /nfs/dbraw/zinc/25/34/47/421253447.db2.gz WPHGWYRKEIJCGA-UHFFFAOYSA-N -1 3 315.333 1.413 20 5 DDBDHM CC1(c2cc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])no2)CCCC1 ZINC000549371087 421500083 /nfs/dbraw/zinc/50/00/83/421500083.db2.gz FZVLGZJHNPXHSG-UHFFFAOYSA-N -1 3 305.294 2.390 20 5 DDBDHM CCn1cnnc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000552661608 421591468 /nfs/dbraw/zinc/59/14/68/421591468.db2.gz YJZPKRYLADJAGZ-UHFFFAOYSA-N -1 3 305.250 1.187 20 5 DDBDHM O=C([O-])[C@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000573332084 421946498 /nfs/dbraw/zinc/94/64/98/421946498.db2.gz LIASURGXZXSJOT-CQSZACIVSA-N -1 3 316.317 1.475 20 5 DDBDHM COC(=O)c1nsc([N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000582216581 422131764 /nfs/dbraw/zinc/13/17/64/422131764.db2.gz SSWAZORITYMSHS-UHFFFAOYSA-N -1 3 322.302 1.794 20 5 DDBDHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000322539683 271029057 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315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1cnc(NCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000823651775 599152927 /nfs/dbraw/zinc/15/29/27/599152927.db2.gz PUWKUBSBROEDRT-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccn1 ZINC000820460935 599252204 /nfs/dbraw/zinc/25/22/04/599252204.db2.gz CPJQRWBMYLRBIG-QMMMGPOBSA-N -1 3 312.293 1.738 20 5 DDBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccn1 ZINC000820460935 599252205 /nfs/dbraw/zinc/25/22/05/599252205.db2.gz CPJQRWBMYLRBIG-QMMMGPOBSA-N -1 3 312.293 1.738 20 5 DDBDHM CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)[O-] ZINC000819781879 597677084 /nfs/dbraw/zinc/67/70/84/597677084.db2.gz YSRZQAHDRKBHAR-LLVKDONJSA-N -1 3 323.349 1.314 20 5 DDBDHM CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736329270 598775355 /nfs/dbraw/zinc/77/53/55/598775355.db2.gz JOCBOSJZKMARRZ-UFBFGSQYSA-N -1 3 306.326 1.594 20 5 DDBDHM CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736329270 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320.305 1.497 20 5 DDBDHM O=C(CC1CC1)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101284535 740331803 /nfs/dbraw/zinc/33/18/03/740331803.db2.gz KZHHUKJGUZVEFJ-UHFFFAOYSA-N -1 3 320.349 1.581 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1cn[n-]n1 ZINC001059880600 741854206 /nfs/dbraw/zinc/85/42/06/741854206.db2.gz SPMRYTBPTZGQPY-AOOOYVTPSA-N -1 3 302.294 1.086 20 5 DDBDHM C[C@@H](Nc1ccncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001187733220 744594855 /nfs/dbraw/zinc/59/48/55/744594855.db2.gz TZWDCFBAWQQUPN-RXMQYKEDSA-N -1 3 302.216 1.722 20 5 DDBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCC1 ZINC001107122697 749159472 /nfs/dbraw/zinc/15/94/72/749159472.db2.gz WQKKZXLUUPQLEF-ARJAWSKDSA-N -1 3 318.333 1.890 20 5 DDBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964500 762157611 /nfs/dbraw/zinc/15/76/11/762157611.db2.gz UHGUTQZQPGWAIO-WDSKDSINSA-N -1 3 311.323 1.001 20 5 DDBDHM CCCC(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001096090330 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3 324.362 1.851 20 5 DDBDHM O=C([O-])c1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000564570767 304002328 /nfs/dbraw/zinc/00/23/28/304002328.db2.gz CGISAJKXPZHWOT-GFCCVEGCSA-N -1 3 303.318 1.744 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000344906563 282867512 /nfs/dbraw/zinc/86/75/12/282867512.db2.gz KZXGYNKDBJMIKD-ZETCQYMHSA-N -1 3 307.397 1.193 20 5 DDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000119423156 354005399 /nfs/dbraw/zinc/00/53/99/354005399.db2.gz TXPKOPSLSKADLJ-CMPLNLGQSA-N -1 3 316.379 1.589 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000122052740 354023632 /nfs/dbraw/zinc/02/36/32/354023632.db2.gz CVQPDROVYBLMCC-GFCCVEGCSA-N -1 3 316.379 1.589 20 5 DDBDHM Cc1[nH+][n-]c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)c-2c1C ZINC000588838706 354941101 /nfs/dbraw/zinc/94/11/01/354941101.db2.gz ZZDJVVZFDWYBER-UHFFFAOYSA-N -1 3 302.250 1.723 20 5 DDBDHM CCC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000590759279 355168574 /nfs/dbraw/zinc/16/85/74/355168574.db2.gz NHUWFJSQIHFOMP-UHFFFAOYSA-N -1 3 300.336 1.824 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000590758302 355168805 /nfs/dbraw/zinc/16/88/05/355168805.db2.gz GQQVDPHBXZGSLL-UHFFFAOYSA-N -1 3 324.305 1.927 20 5 DDBDHM C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C ZINC000592749168 355674625 /nfs/dbraw/zinc/67/46/25/355674625.db2.gz HNQJUUULKXHYDK-ZETCQYMHSA-N -1 3 301.730 1.634 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)nc1 ZINC000593587109 355934548 /nfs/dbraw/zinc/93/45/48/355934548.db2.gz SAJGLFMTCAZXLO-QMMMGPOBSA-N -1 3 303.365 1.021 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)CCF)c1[N+](=O)[O-] ZINC000593655973 355956355 /nfs/dbraw/zinc/95/63/55/355956355.db2.gz HRUGWIPOZDMVBW-JTQLQIEISA-N -1 3 320.342 1.210 20 5 DDBDHM CN(CCN1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000593882775 356040162 /nfs/dbraw/zinc/04/01/62/356040162.db2.gz LOHYDHLNQAGDNY-UHFFFAOYSA-N -1 3 307.350 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DDBDHM CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000569868469 308152090 /nfs/dbraw/zinc/15/20/90/308152090.db2.gz DXPCQFNTZLNJOC-DGCLKSJQSA-N -1 3 324.333 1.538 20 5 DDBDHM COc1cc(CNC[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1[O-] ZINC000433203785 533881029 /nfs/dbraw/zinc/88/10/29/533881029.db2.gz YSWGQYJOZKKHCS-JTQLQIEISA-N -1 3 309.322 1.067 20 5 DDBDHM O=C([N-]O[C@H]1CCCCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299656558 534717633 /nfs/dbraw/zinc/71/76/33/534717633.db2.gz KIWQMWZBPJYJBO-ZDUSSCGKSA-N -1 3 324.289 1.554 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491841736 528151485 /nfs/dbraw/zinc/15/14/85/528151485.db2.gz FJKWDAXVZRPNQE-URWSZGRFSA-N -1 3 316.317 1.236 20 5 DDBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292770503 528582510 /nfs/dbraw/zinc/58/25/10/528582510.db2.gz JOEUYWCWAUQZOP-UHFFFAOYSA-N -1 3 302.352 1.688 20 5 DDBDHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000494331810 528978807 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COc1ccc(-c2nn[n-]n2)cc1Cn1nccc1[N+](=O)[O-] ZINC000821753047 607379515 /nfs/dbraw/zinc/37/95/15/607379515.db2.gz YEEWPVMPMOEEDN-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM Cc1c(NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299708 600369476 /nfs/dbraw/zinc/36/94/76/600369476.db2.gz OIIJSJDRWWGKOC-ONGXEEELSA-N -1 3 323.349 1.883 20 5 DDBDHM CCN(C[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821206868 607466040 /nfs/dbraw/zinc/46/60/40/607466040.db2.gz GMKWITMMPOSXHN-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CCN(C[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821206868 607466041 /nfs/dbraw/zinc/46/60/41/607466041.db2.gz GMKWITMMPOSXHN-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CC(C)(C)C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819907882 607469219 /nfs/dbraw/zinc/46/92/19/607469219.db2.gz SAHOEYPSVPCHNW-JTQLQIEISA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819907882 607469220 /nfs/dbraw/zinc/46/92/20/607469220.db2.gz SAHOEYPSVPCHNW-JTQLQIEISA-N -1 3 320.353 1.984 20 5 DDBDHM Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ncn1 ZINC000826266859 607935166 /nfs/dbraw/zinc/93/51/66/607935166.db2.gz FOEHOPKOWHHIOI-UHFFFAOYSA-N -1 3 312.293 1.485 20 5 DDBDHM Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ncn1 ZINC000826266859 607935167 /nfs/dbraw/zinc/93/51/67/607935167.db2.gz FOEHOPKOWHHIOI-UHFFFAOYSA-N -1 3 312.293 1.485 20 5 DDBDHM COC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC000826144922 609554147 /nfs/dbraw/zinc/55/41/47/609554147.db2.gz VULLSXLFPABTHI-UHFFFAOYSA-N -1 3 304.310 1.756 20 5 DDBDHM COC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC000826144922 609554148 /nfs/dbraw/zinc/55/41/48/609554148.db2.gz VULLSXLFPABTHI-UHFFFAOYSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@@H]1OCC[C@]1(C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825013762 609592505 /nfs/dbraw/zinc/59/25/05/609592505.db2.gz RHRHPWKYYJNUOT-SDBXPKJASA-N -1 3 304.310 1.754 20 5 DDBDHM 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CC[C@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000087040831 407116071 /nfs/dbraw/zinc/11/60/71/407116071.db2.gz MONWJQTXWSIZIW-LBPRGKRZSA-N -1 3 302.352 1.175 20 5 DDBDHM CCCCOCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000049393772 407119328 /nfs/dbraw/zinc/11/93/28/407119328.db2.gz PUXJABVFXNCJKI-UHFFFAOYSA-N -1 3 302.352 1.690 20 5 DDBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000094960442 407205247 /nfs/dbraw/zinc/20/52/47/407205247.db2.gz LHYPVDISVIMJER-LLVKDONJSA-N -1 3 316.379 1.590 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000125326491 407385424 /nfs/dbraw/zinc/38/54/24/407385424.db2.gz SPAHJVAYXCASLM-NSHDSACASA-N -1 3 320.392 1.812 20 5 DDBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000125704065 407395901 /nfs/dbraw/zinc/39/59/01/407395901.db2.gz RAOGNGISALNSLR-VIFPVBQESA-N -1 3 320.392 1.668 20 5 DDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)c1 ZINC000151801729 407501168 /nfs/dbraw/zinc/50/11/68/407501168.db2.gz 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20 5 DDBDHM O=C([N-]c1ccncc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000543917160 303467317 /nfs/dbraw/zinc/46/73/17/303467317.db2.gz VSWQMUHDBMKPTF-UHFFFAOYSA-N -1 3 305.221 1.532 20 5 DDBDHM O=C([O-])c1cc(N2CCN(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000378702824 307292615 /nfs/dbraw/zinc/29/26/15/307292615.db2.gz KWLZRSLCGWQCJP-UHFFFAOYSA-N -1 3 305.334 1.968 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C)C1 ZINC000520803787 307462543 /nfs/dbraw/zinc/46/25/43/307462543.db2.gz OZTSPNDLRCZTKW-DTWKUNHWSA-N -1 3 316.335 1.059 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCC[C@@H]1CO ZINC000738360334 598933680 /nfs/dbraw/zinc/93/36/80/598933680.db2.gz VRKUDWXZTUHYQX-GHMZBOCLSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC[C@@H]1CO ZINC000738360334 598933681 /nfs/dbraw/zinc/93/36/81/598933681.db2.gz VRKUDWXZTUHYQX-GHMZBOCLSA-N -1 3 318.337 1.738 20 5 DDBDHM COCCOC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821692441 599043805 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C[C@H](CN(C)c1ncnc2cccc([N+](=O)[O-])c21)c1nn[n-]n1 ZINC000360967107 418556520 /nfs/dbraw/zinc/55/65/20/418556520.db2.gz XBBOPQDGSKVYGM-MRVPVSSYSA-N -1 3 314.309 1.291 20 5 DDBDHM CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)C1 ZINC000293916147 418581248 /nfs/dbraw/zinc/58/12/48/418581248.db2.gz IEPSRULSWZBCRQ-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)COCC3)n1 ZINC000427466700 419666889 /nfs/dbraw/zinc/66/68/89/419666889.db2.gz NBMUYZHQZOPQFZ-UHFFFAOYSA-N -1 3 323.334 1.593 20 5 DDBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000436795399 420368641 /nfs/dbraw/zinc/36/86/41/420368641.db2.gz FMQRBDFOPWQCKX-LLVKDONJSA-N -1 3 305.334 1.609 20 5 DDBDHM CC1(C)COC[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450854488 420545439 /nfs/dbraw/zinc/54/54/39/420545439.db2.gz KSODYKXKVPHSNV-LLVKDONJSA-N -1 3 304.306 2.482 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000440364961 420572206 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DDBDHM C[C@@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130395968 281379293 /nfs/dbraw/zinc/37/92/93/281379293.db2.gz YFVAORILUKSOAL-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM CN1CCC[C@]2(CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C2)C1 ZINC000294136167 290004303 /nfs/dbraw/zinc/00/43/03/290004303.db2.gz MOFIDKAKLHHQND-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280925346 300219587 /nfs/dbraw/zinc/21/95/87/300219587.db2.gz JXOROYGUVSMSIP-CMPLNLGQSA-N -1 3 307.350 1.713 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCOC[C@H]1C ZINC000277685987 302050141 /nfs/dbraw/zinc/05/01/41/302050141.db2.gz HBPJQCYHSKVOES-MNOVXSKESA-N -1 3 314.363 1.607 20 5 DDBDHM O=C([N-]c1nncn1-c1cccnc1)c1csc([N+](=O)[O-])c1 ZINC000377189478 302154017 /nfs/dbraw/zinc/15/40/17/302154017.db2.gz JJPXVJQBFIRTMD-UHFFFAOYSA-N -1 3 316.302 1.884 20 5 DDBDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000520903463 302868252 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DDBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccnc1 ZINC000737196550 598503822 /nfs/dbraw/zinc/50/38/22/598503822.db2.gz PTPFOZJLPAWPLE-QMMMGPOBSA-N -1 3 312.293 1.738 20 5 DDBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccnc1 ZINC000737196550 598503823 /nfs/dbraw/zinc/50/38/23/598503823.db2.gz PTPFOZJLPAWPLE-QMMMGPOBSA-N -1 3 312.293 1.738 20 5 DDBDHM O=C([O-])NC[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000740644500 601936620 /nfs/dbraw/zinc/93/66/20/601936620.db2.gz UECNTTXCFAMNGD-NSHDSACASA-N -1 3 309.322 1.563 20 5 DDBDHM C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CNC(=O)[O-] ZINC000825925596 603708068 /nfs/dbraw/zinc/70/80/68/603708068.db2.gz QDSYCYAZTSFRBO-GHMZBOCLSA-N -1 3 311.342 1.159 20 5 DDBDHM COCCN1CC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833724842 605185012 /nfs/dbraw/zinc/18/50/12/605185012.db2.gz UUMXUDMEZSYJGU-LLVKDONJSA-N -1 3 309.322 1.426 20 5 DDBDHM O=Cc1ccc([N+](=O)[O-])c(Oc2ncccc2-c2nnn[n-]2)c1 ZINC000823557953 606431212 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DDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cncc([O-])c1 ZINC000732391656 699558729 /nfs/dbraw/zinc/55/87/29/699558729.db2.gz LIAPFUAXIRGKJD-UHFFFAOYSA-N -1 3 304.258 1.931 20 5 DDBDHM O=C([N-]C1COCCOC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000816920526 702219731 /nfs/dbraw/zinc/21/97/31/702219731.db2.gz UCYWHALDJWMJSG-UHFFFAOYSA-N -1 3 316.260 1.218 20 5 DDBDHM CCN1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206785 702991926 /nfs/dbraw/zinc/99/19/26/702991926.db2.gz SSMGOHYLLUILEC-UHFFFAOYSA-N -1 3 307.350 1.754 20 5 DDBDHM COc1cccc(S([O-])=CC(=O)OC[C@H](C)[N+](=O)[O-])c1 ZINC000821166631 704377744 /nfs/dbraw/zinc/37/77/44/704377744.db2.gz FGIWNKVPRSZKKT-GWNMQOMSSA-N -1 3 301.320 1.011 20 5 DDBDHM CCOC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821373060 704398824 /nfs/dbraw/zinc/39/88/24/704398824.db2.gz CMVWQQGPPDDAHR-SECBINFHSA-N -1 3 319.325 1.033 20 5 DDBDHM CCOC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821373060 704398827 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DDBDHM O=C1NCCC12CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000877782894 706210146 /nfs/dbraw/zinc/21/01/46/706210146.db2.gz SSXQLJDRYAJUJO-UHFFFAOYSA-N -1 3 305.334 1.403 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H](C)O ZINC001211842741 740158004 /nfs/dbraw/zinc/15/80/04/740158004.db2.gz GFABXAXYWLOHHL-HTQZYQBOSA-N -1 3 308.381 1.402 20 5 DDBDHM O=C(NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC1 ZINC001046702715 767820604 /nfs/dbraw/zinc/82/06/04/767820604.db2.gz LLCCPZGVJRWWBL-HOMQSWHASA-N -1 3 320.349 1.802 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001136653651 772068619 /nfs/dbraw/zinc/06/86/19/772068619.db2.gz CFNLRBONAARYSL-SECBINFHSA-N -1 3 324.724 1.490 20 5 DDBDHM CC(C)CCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093132697 774436380 /nfs/dbraw/zinc/43/63/80/774436380.db2.gz QUXDWEQZFBTLFC-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM CC(C)SCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093525181 774777444 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DDBDHM Cc1ccc(S(=O)(=O)[N-]c2c[nH]c(=O)c(C)c2)c([N+](=O)[O-])c1 ZINC000158295718 354229611 /nfs/dbraw/zinc/22/96/11/354229611.db2.gz REWNUXFCOKZFRR-UHFFFAOYSA-N -1 3 323.330 1.701 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(C)c2)c([N+](=O)[O-])c1 ZINC000158673887 354231070 /nfs/dbraw/zinc/23/10/70/354231070.db2.gz QCSIZIHMMTWYRQ-UHFFFAOYSA-N -1 3 323.330 1.403 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cncn2C)c1[N+](=O)[O-] ZINC000290247746 354442610 /nfs/dbraw/zinc/44/26/10/354442610.db2.gz RANPHDKEWTUJRP-UHFFFAOYSA-N -1 3 324.362 1.424 20 5 DDBDHM CCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592829299 355705845 /nfs/dbraw/zinc/70/58/45/355705845.db2.gz MYYJBHCGJULGBH-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM CN1CCC[C@@]2(CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)C1 ZINC000592972753 355758626 /nfs/dbraw/zinc/75/86/26/355758626.db2.gz VYQIPFDBKHSNDE-OAHLLOKOSA-N -1 3 320.349 1.610 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCC2CC2)nc1 ZINC000593527012 355913928 /nfs/dbraw/zinc/91/39/28/355913928.db2.gz NHVADUZJFOOVCT-UHFFFAOYSA-N -1 3 315.351 1.085 20 5 DDBDHM N[C@H](c1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1)[C@H]1CCCO1 ZINC000594651970 356275780 /nfs/dbraw/zinc/27/57/80/356275780.db2.gz GYXWVKJXKJFJKB-CHWSQXEVSA-N -1 3 305.294 1.060 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594800085 356321298 /nfs/dbraw/zinc/32/12/98/356321298.db2.gz CFEJCXFWJXJVGP-NSHDSACASA-N -1 3 314.363 1.343 20 5 DDBDHM COc1cc(CNCCO[C@H]2CC2(F)F)c([N+](=O)[O-])cc1[O-] ZINC000594970075 356365630 /nfs/dbraw/zinc/36/56/30/356365630.db2.gz CJQXXMOKKOCQFX-LBPRGKRZSA-N -1 3 318.276 1.823 20 5 DDBDHM COc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000595884663 356691151 /nfs/dbraw/zinc/69/11/51/356691151.db2.gz JROOEESBYXBDAE-IAQYHMDHSA-N -1 3 322.317 1.136 20 5 DDBDHM CN(C[C@@H]1COc2ccccc2O1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596055522 356755375 /nfs/dbraw/zinc/75/53/75/356755375.db2.gz VWOIRXPBYFOMBH-SNVBAGLBSA-N -1 3 317.301 1.972 20 5 DDBDHM O=c1[n-]ccc(NC[C@@H]2CCCCS2(=O)=O)c1[N+](=O)[O-] ZINC000596191045 356806895 /nfs/dbraw/zinc/80/68/95/356806895.db2.gz GGQKYHKUBRFYCD-QMMMGPOBSA-N -1 3 301.324 1.075 20 5 DDBDHM O=c1[n-]ccc(N2CCO[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596556904 356916331 /nfs/dbraw/zinc/91/63/31/356916331.db2.gz COKWMHJZTDVQFH-SSDOTTSWSA-N -1 3 307.228 1.853 20 5 DDBDHM CNc1c(C(=O)NCCCc2cc(=O)[nH][n-]2)cccc1[N+](=O)[O-] ZINC000597663830 357273971 /nfs/dbraw/zinc/27/39/71/357273971.db2.gz DXCQCJFPODVDGN-UHFFFAOYSA-N -1 3 319.321 1.022 20 5 DDBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCc1cc(=O)[nH][n-]1 ZINC000597664150 357274908 /nfs/dbraw/zinc/27/49/08/357274908.db2.gz GNZKIMNPQKPZPD-UHFFFAOYSA-N -1 3 322.296 1.049 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599482951 357952558 /nfs/dbraw/zinc/95/25/58/357952558.db2.gz RZWQRERAYCLZNG-ZYHUDNBSSA-N -1 3 312.347 1.441 20 5 DDBDHM CN(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000186755312 200004339 /nfs/dbraw/zinc/00/43/39/200004339.db2.gz OHQWHQPLBHTXDX-LLVKDONJSA-N -1 3 320.305 1.321 20 5 DDBDHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000121540071 291214363 /nfs/dbraw/zinc/21/43/63/291214363.db2.gz CGKZJMLYBYZIHA-XCBNKYQSSA-N -1 3 320.754 1.704 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000610240410 360395392 /nfs/dbraw/zinc/39/53/92/360395392.db2.gz BPEKYTTUIFJVIV-JTQLQIEISA-N -1 3 304.306 1.145 20 5 DDBDHM COc1cc(CNCc2cc(C)ncn2)c([N+](=O)[O-])cc1[O-] ZINC000611134790 360632395 /nfs/dbraw/zinc/63/23/95/360632395.db2.gz WLTQLHZNUCXRCW-UHFFFAOYSA-N -1 3 304.306 1.697 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CO)CC2)c1C ZINC000611407880 360712408 /nfs/dbraw/zinc/71/24/08/360712408.db2.gz BKWOQKKBXJMOEH-UHFFFAOYSA-N -1 3 300.336 1.015 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCOCC(F)F)c([N+](=O)[O-])c1 ZINC000349983865 284126565 /nfs/dbraw/zinc/12/65/65/284126565.db2.gz LYBMEHYPUMZUOI-UHFFFAOYSA-N -1 3 324.305 1.463 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCn1ccnc1 ZINC000046033807 248193977 /nfs/dbraw/zinc/19/39/77/248193977.db2.gz OHKJSIRFHYUOAG-UHFFFAOYSA-N -1 3 310.335 1.078 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000339072575 250280207 /nfs/dbraw/zinc/28/02/07/250280207.db2.gz XWTOKMXZJBSTIS-LLVKDONJSA-N -1 3 302.352 1.423 20 5 DDBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000158720508 197297185 /nfs/dbraw/zinc/29/71/85/197297185.db2.gz WARRBSHSANHRDB-JTQLQIEISA-N -1 3 318.351 1.043 20 5 DDBDHM O=C([O-])[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568066300 304266053 /nfs/dbraw/zinc/26/60/53/304266053.db2.gz WNXWIKRLCQWHBE-RYUDHWBXSA-N -1 3 324.333 1.131 20 5 DDBDHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000413667193 224235178 /nfs/dbraw/zinc/23/51/78/224235178.db2.gz LNMHBHKUVADYIN-VHSXEESVSA-N -1 3 303.278 1.464 20 5 DDBDHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000413667193 224235180 /nfs/dbraw/zinc/23/51/80/224235180.db2.gz LNMHBHKUVADYIN-VHSXEESVSA-N -1 3 303.278 1.464 20 5 DDBDHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000413667193 224235181 /nfs/dbraw/zinc/23/51/81/224235181.db2.gz LNMHBHKUVADYIN-VHSXEESVSA-N -1 3 303.278 1.464 20 5 DDBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000352897489 285371311 /nfs/dbraw/zinc/37/13/11/285371311.db2.gz PAFDQVKIACVKPT-NWDGAFQWSA-N -1 3 314.363 1.687 20 5 DDBDHM Cc1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000569824066 304380492 /nfs/dbraw/zinc/38/04/92/304380492.db2.gz FPSRQTZORBMPQE-UHFFFAOYSA-N -1 3 315.289 1.924 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000087041005 407116187 /nfs/dbraw/zinc/11/61/87/407116187.db2.gz LGACTPZHKMRDHD-CYBMUJFWSA-N -1 3 316.379 1.651 20 5 DDBDHM C[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000185820205 407511894 /nfs/dbraw/zinc/51/18/94/407511894.db2.gz QTDXWVQKRDJVPU-SCZZXKLOSA-N -1 3 306.322 1.050 20 5 DDBDHM Cc1nn2c(nnc2SCc2csc([N+](=O)[O-])c2)[n-]c1=O ZINC000114860908 407630107 /nfs/dbraw/zinc/63/01/07/407630107.db2.gz MBVOPZGQXGGJKN-UHFFFAOYSA-N -1 3 324.347 1.795 20 5 DDBDHM CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000228409815 407644076 /nfs/dbraw/zinc/64/40/76/407644076.db2.gz BUBUXKJCVRAALC-UHFFFAOYSA-N -1 3 302.308 1.070 20 5 DDBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000161022765 408552709 /nfs/dbraw/zinc/55/27/09/408552709.db2.gz SSIUSCIXBPSWCZ-UHFFFAOYSA-N -1 3 300.336 1.442 20 5 DDBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000184292867 408584976 /nfs/dbraw/zinc/58/49/76/408584976.db2.gz FVGPPCDBFGAMAK-UHFFFAOYSA-N -1 3 324.305 1.063 20 5 DDBDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185278345 408790996 /nfs/dbraw/zinc/79/09/96/408790996.db2.gz FCJXJXZUVBZWTN-HPOULIHZSA-N -1 3 318.326 1.339 20 5 DDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000291847476 408933727 /nfs/dbraw/zinc/93/37/27/408933727.db2.gz HMJZHSKIBAAQNB-QMMMGPOBSA-N -1 3 322.770 1.606 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000228205072 163340277 /nfs/dbraw/zinc/34/02/77/163340277.db2.gz FHEWFXRAGDTIMA-RKDXNWHRSA-N -1 3 318.351 1.041 20 5 DDBDHM CN(C)CCn1nccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000293964086 409216163 /nfs/dbraw/zinc/21/61/63/409216163.db2.gz FJYGTCXORRTVCQ-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM Cc1ncc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000345087417 409624840 /nfs/dbraw/zinc/62/48/40/409624840.db2.gz BKYBENKEAWKOOW-UHFFFAOYSA-N -1 3 302.290 1.258 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000342543924 409710284 /nfs/dbraw/zinc/71/02/84/409710284.db2.gz GABNSXQDMXPMJX-UHFFFAOYSA-N -1 3 316.364 1.177 20 5 DDBDHM CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000308687608 409786255 /nfs/dbraw/zinc/78/62/55/409786255.db2.gz FGBXEYKIXJSFKK-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM CCN1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393613 410154139 /nfs/dbraw/zinc/15/41/39/410154139.db2.gz KQKNBXFHDKXJQD-JKSUJKDBSA-N -1 3 321.377 1.595 20 5 DDBDHM COCCN1CCC(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000343275966 410300823 /nfs/dbraw/zinc/30/08/23/410300823.db2.gz UNPQQISBBFILJM-UHFFFAOYSA-N -1 3 323.349 1.141 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352321095 410622710 /nfs/dbraw/zinc/62/27/10/410622710.db2.gz VSDYDJBFEBOFKR-ZJUUUORDSA-N -1 3 316.404 1.933 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000343766366 410681665 /nfs/dbraw/zinc/68/16/65/410681665.db2.gz DOKRJHOXVOVRDV-UHFFFAOYSA-N -1 3 318.289 1.337 20 5 DDBDHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000337528238 410846820 /nfs/dbraw/zinc/84/68/20/410846820.db2.gz SSEZEQKWQNADBG-UHFFFAOYSA-N -1 3 314.257 1.191 20 5 DDBDHM Cc1nn(C)c(NCc2nnc(C(F)(F)F)[n-]2)c1[N+](=O)[O-] ZINC000359690716 410819894 /nfs/dbraw/zinc/81/98/94/410819894.db2.gz WKKMKKVHVYEDHS-UHFFFAOYSA-N -1 3 305.220 1.386 20 5 DDBDHM Cc1nn(C)c(NCc2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000359690716 410819898 /nfs/dbraw/zinc/81/98/98/410819898.db2.gz WKKMKKVHVYEDHS-UHFFFAOYSA-N -1 3 305.220 1.386 20 5 DDBDHM Cc1nn(C)c(NCc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC000359690716 410819902 /nfs/dbraw/zinc/81/99/02/410819902.db2.gz WKKMKKVHVYEDHS-UHFFFAOYSA-N -1 3 305.220 1.386 20 5 DDBDHM O=C(Nc1nnc(C2CC2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000571624369 304475335 /nfs/dbraw/zinc/47/53/35/304475335.db2.gz HWMLLKSMEXKPKT-UHFFFAOYSA-N -1 3 307.291 1.677 20 5 DDBDHM C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181884379 221915415 /nfs/dbraw/zinc/91/54/15/221915415.db2.gz IFNJZJMUEINTJE-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCCCO ZINC000229157023 418565203 /nfs/dbraw/zinc/56/52/03/418565203.db2.gz DDLPLNPJOZFSIF-UHFFFAOYSA-N -1 3 302.352 1.344 20 5 DDBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416524501 420405841 /nfs/dbraw/zinc/40/58/41/420405841.db2.gz GDXURESWYUBQBO-AOOOYVTPSA-N -1 3 300.336 1.441 20 5 DDBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000416585719 420426148 /nfs/dbraw/zinc/42/61/48/420426148.db2.gz OJGPDVOABYTWTH-MRVPVSSYSA-N -1 3 322.408 1.916 20 5 DDBDHM COc1cc(CNC[C@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1[O-] ZINC000453589467 420733204 /nfs/dbraw/zinc/73/32/04/420733204.db2.gz MXOIWSIHBUQSHK-AWEZNQCLSA-N -1 3 309.322 1.067 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000486831536 420991890 /nfs/dbraw/zinc/99/18/90/420991890.db2.gz AHNWLIUNSRHTDL-DDFAGTSDSA-N -1 3 312.347 1.680 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000549698812 421505353 /nfs/dbraw/zinc/50/53/53/421505353.db2.gz HTZIXBPOTPNFHP-UHFFFAOYSA-N -1 3 304.262 1.286 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000549698812 421505355 /nfs/dbraw/zinc/50/53/55/421505355.db2.gz HTZIXBPOTPNFHP-UHFFFAOYSA-N -1 3 304.262 1.286 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000583997226 422237492 /nfs/dbraw/zinc/23/74/92/422237492.db2.gz ZBUXCMCQNDNZFX-ZJUUUORDSA-N -1 3 308.338 1.891 20 5 DDBDHM CC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1[O-] ZINC000576022096 422360497 /nfs/dbraw/zinc/36/04/97/422360497.db2.gz SYQPLGFEQRUGCN-UHFFFAOYSA-N -1 3 318.289 1.647 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000272515182 290156384 /nfs/dbraw/zinc/15/63/84/290156384.db2.gz YDDFSEMUUHELSZ-ZWNOBZJWSA-N -1 3 305.334 1.467 20 5 DDBDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000152341986 293155942 /nfs/dbraw/zinc/15/59/42/293155942.db2.gz FKAIJHNDGLHMKW-JTQLQIEISA-N -1 3 300.336 1.298 20 5 DDBDHM COC(=O)c1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000576021606 304747205 /nfs/dbraw/zinc/74/72/05/304747205.db2.gz RQAVNLIOIKCEBA-UHFFFAOYSA-N -1 3 322.302 1.794 20 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DDBDHM COC(=O)[C@@H](C)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736892870 599062970 /nfs/dbraw/zinc/06/29/70/599062970.db2.gz PLRVYUDNDLLMMM-ZETCQYMHSA-N -1 3 323.334 1.676 20 5 DDBDHM COC(=O)[C@@H](C)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736892870 599062972 /nfs/dbraw/zinc/06/29/72/599062972.db2.gz PLRVYUDNDLLMMM-ZETCQYMHSA-N -1 3 323.334 1.676 20 5 DDBDHM COC(=O)[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821639225 607302383 /nfs/dbraw/zinc/30/23/83/607302383.db2.gz SJIBPBFHNKSXDF-QMMMGPOBSA-N -1 3 320.309 1.020 20 5 DDBDHM COC(=O)[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821639225 607302384 /nfs/dbraw/zinc/30/23/84/607302384.db2.gz SJIBPBFHNKSXDF-QMMMGPOBSA-N -1 3 320.309 1.020 20 5 DDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCO1 ZINC000736294010 598457631 /nfs/dbraw/zinc/45/76/31/598457631.db2.gz QGHFPQLRWFHVKW-SECBINFHSA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCO1 ZINC000736294010 598457633 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CC[C@H](O)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820931304 599580684 /nfs/dbraw/zinc/58/06/84/599580684.db2.gz DQJAOQWVSRRREF-JTQLQIEISA-N -1 3 306.326 1.738 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCn2cccc2)c(-c2nnn[n-]2)c1 ZINC000823650818 606476745 /nfs/dbraw/zinc/47/67/45/606476745.db2.gz BLIQVJUYXGSQSN-UHFFFAOYSA-N -1 3 300.282 1.084 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCn2cccc2)c(-c2nn[n-]n2)c1 ZINC000823650818 606476747 /nfs/dbraw/zinc/47/67/47/606476747.db2.gz BLIQVJUYXGSQSN-UHFFFAOYSA-N -1 3 300.282 1.084 20 5 DDBDHM C[C@@H](C[C@@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235353 607114191 /nfs/dbraw/zinc/11/41/91/607114191.db2.gz RXCHUORATUVQQX-IUCAKERBSA-N -1 3 319.325 1.397 20 5 DDBDHM C[C@@H](C[C@@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235353 607114192 /nfs/dbraw/zinc/11/41/92/607114192.db2.gz RXCHUORATUVQQX-IUCAKERBSA-N -1 3 319.325 1.397 20 5 DDBDHM C[C@H]1CCOCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824970425 608416444 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20 5 DDBDHM Cc1nn(C)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1[N+](=O)[O-] ZINC001164145976 868971780 /nfs/dbraw/zinc/97/17/80/868971780.db2.gz KOPIKRUJZGZMBZ-UHFFFAOYSA-N -1 3 304.310 1.622 20 5 DDBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001298792162 870729879 /nfs/dbraw/zinc/72/98/79/870729879.db2.gz JNXQXUXZCFQHTI-UHFFFAOYSA-N -1 3 322.296 1.428 20 5 DDBDHM C[C@@H](Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1)c1cccc([N+](=O)[O-])c1 ZINC001227431037 883017792 /nfs/dbraw/zinc/01/77/92/883017792.db2.gz RAQNAIKYISPDBQ-ZCFIWIBFSA-N -1 3 317.261 1.812 20 5 DDBDHM O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300194198 877113326 /nfs/dbraw/zinc/11/33/26/877113326.db2.gz KMOYMEDWWYRJGV-MRVPVSSYSA-N -1 3 320.280 1.792 20 5 DDBDHM CCOCC(COCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685362 883619224 /nfs/dbraw/zinc/61/92/24/883619224.db2.gz GMMVSOIGUIBFHD-UHFFFAOYSA-N -1 3 300.311 1.824 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc(C)[n-]c(=O)c1C ZINC001229686785 884110893 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DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601304918 358487715 /nfs/dbraw/zinc/48/77/15/358487715.db2.gz XBIQFHLGOPSBCY-CBAPKCEASA-N -1 3 302.327 1.977 20 5 DDBDHM Cc1c(C(=O)NCCCc2cc(=O)[nH][n-]2)cccc1[N+](=O)[O-] ZINC000588875997 354945125 /nfs/dbraw/zinc/94/51/25/354945125.db2.gz OYEMKXRTFXHJFJ-UHFFFAOYSA-N -1 3 304.306 1.289 20 5 DDBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555143 355923663 /nfs/dbraw/zinc/92/36/63/355923663.db2.gz WWQCWLOPEJSERD-JTQLQIEISA-N -1 3 317.367 1.065 20 5 DDBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2nccn21 ZINC000593610678 355941579 /nfs/dbraw/zinc/94/15/79/355941579.db2.gz YZJAPLVNUQNJEX-WCBMZHEXSA-N -1 3 323.334 1.171 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594825801 356328935 /nfs/dbraw/zinc/32/89/35/356328935.db2.gz BLAKSHWPBAUEKW-VIFPVBQESA-N -1 3 300.336 1.034 20 5 DDBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000595355725 356461914 /nfs/dbraw/zinc/46/19/14/356461914.db2.gz QPCNSTOIFMFHSH-VIFPVBQESA-N -1 3 319.408 1.419 20 5 DDBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595392253 356476165 /nfs/dbraw/zinc/47/61/65/356476165.db2.gz KWDFVKNPLQZXNH-VIFPVBQESA-N -1 3 315.351 1.083 20 5 DDBDHM O=c1[n-]ccc(N[C@@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596099448 356771298 /nfs/dbraw/zinc/77/12/98/356771298.db2.gz WJQYHAFJLKQJGP-SSDOTTSWSA-N -1 3 306.244 1.744 20 5 DDBDHM CO[C@H](C)c1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596150546 356792146 /nfs/dbraw/zinc/79/21/46/356792146.db2.gz XHDUBBRCSYZWEQ-SSDOTTSWSA-N -1 3 309.282 1.422 20 5 DDBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1(=O)=O ZINC000596214529 356818027 /nfs/dbraw/zinc/81/80/27/356818027.db2.gz UIECHRFQOHSCMZ-UHFFFAOYSA-N -1 3 315.351 1.099 20 5 DDBDHM COC(=O)C(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000596518648 356904966 /nfs/dbraw/zinc/90/49/66/356904966.db2.gz LCRNZEHEFIAJNT-UHFFFAOYSA-N -1 3 311.323 1.900 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000599364151 357910142 /nfs/dbraw/zinc/91/01/42/357910142.db2.gz HSDHWVAZNIXKSF-NSHDSACASA-N -1 3 314.363 1.690 20 5 DDBDHM O=C(c1cc(=O)[n-]cn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599707976 358034996 /nfs/dbraw/zinc/03/49/96/358034996.db2.gz KUEWPVPKEDAQRP-UHFFFAOYSA-N -1 3 314.301 1.895 20 5 DDBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC000601415358 358542887 /nfs/dbraw/zinc/54/28/87/358542887.db2.gz DZDWZSIPQABJNI-QMMMGPOBSA-N -1 3 308.381 1.668 20 5 DDBDHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000281295574 216220175 /nfs/dbraw/zinc/22/01/75/216220175.db2.gz YKAXDXWMLMFHAY-AWEZNQCLSA-N -1 3 320.305 1.269 20 5 DDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619550590 364057588 /nfs/dbraw/zinc/05/75/88/364057588.db2.gz NWNINLDWPOWROY-RKDXNWHRSA-N -1 3 300.336 1.680 20 5 DDBDHM Cc1[nH]ncc1CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000619568393 364063035 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000120542874 195188065 /nfs/dbraw/zinc/18/80/65/195188065.db2.gz LOLNLZODBUINEE-VHSXEESVSA-N -1 3 302.352 1.198 20 5 DDBDHM Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)[n-]c(=O)n1 ZINC000360526986 299683620 /nfs/dbraw/zinc/68/36/20/299683620.db2.gz HUPOGICSCFSVHQ-UHFFFAOYSA-N -1 3 302.290 1.637 20 5 DDBDHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000359988131 306969662 /nfs/dbraw/zinc/96/96/62/306969662.db2.gz RDXJMTOOTYOFBR-NSHDSACASA-N -1 3 320.342 1.419 20 5 DDBDHM Cc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000041614339 407008589 /nfs/dbraw/zinc/00/85/89/407008589.db2.gz BBJPSDQWCHSPEI-UHFFFAOYSA-N -1 3 316.317 1.785 20 5 DDBDHM Cc1sc2[n-]c(Cn3cnc([N+](=O)[O-])n3)nc(=O)c2c1C ZINC000053834894 407174780 /nfs/dbraw/zinc/17/47/80/407174780.db2.gz YSQBXAZUVRMDCF-UHFFFAOYSA-N -1 3 306.307 1.149 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)C)cc1[N+](=O)[O-] ZINC000186181339 407597488 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DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)SC ZINC000269773475 408424720 /nfs/dbraw/zinc/42/47/20/408424720.db2.gz QRBYSOQHCLBSQG-QMMMGPOBSA-N -1 3 320.392 1.633 20 5 DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000160330631 408471017 /nfs/dbraw/zinc/47/10/17/408471017.db2.gz ZQUDGJNOHVVWPR-MRVPVSSYSA-N -1 3 322.770 1.952 20 5 DDBDHM CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248533052 408581016 /nfs/dbraw/zinc/58/10/16/408581016.db2.gz YXXAYWWNUVIXLB-ZYHUDNBSSA-N -1 3 307.350 1.759 20 5 DDBDHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228203213 163340169 /nfs/dbraw/zinc/34/01/69/163340169.db2.gz FAYYLANTNNEOTE-JGVFFNPUSA-N -1 3 322.770 1.686 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000228205078 163340179 /nfs/dbraw/zinc/34/01/79/163340179.db2.gz FHEWFXRAGDTIMA-IUCAKERBSA-N -1 3 318.351 1.041 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000293825983 409189036 /nfs/dbraw/zinc/18/90/36/409189036.db2.gz PJRKNGVHDMVYNO-NSHDSACASA-N -1 3 318.326 1.437 20 5 DDBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279125043 409153429 /nfs/dbraw/zinc/15/34/29/409153429.db2.gz VFTXBLPRROWMNH-ZUZCIYMTSA-N -1 3 318.333 1.330 20 5 DDBDHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=O)n1 ZINC000342498218 409678772 /nfs/dbraw/zinc/67/87/72/409678772.db2.gz UXIZHVATSOMEQJ-VIFPVBQESA-N -1 3 302.290 1.890 20 5 DDBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352321522 410623882 /nfs/dbraw/zinc/62/38/82/410623882.db2.gz YUUMIASBYVVJCO-DTWKUNHWSA-N -1 3 302.377 1.625 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330607532 410823974 /nfs/dbraw/zinc/82/39/74/410823974.db2.gz PFTOIKQTJBQXKI-QWRGUYRKSA-N -1 3 314.363 1.749 20 5 DDBDHM CC[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000354576436 418647305 /nfs/dbraw/zinc/64/73/05/418647305.db2.gz LRRXDIBOTLMYDL-LLVKDONJSA-N 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Cc1cc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c(F)cc1[N+](=O)[O-] ZINC000596252389 356833160 /nfs/dbraw/zinc/83/31/60/356833160.db2.gz KBHLSKJWXOKRPK-JTQLQIEISA-N -1 3 320.328 1.925 20 5 DDBDHM Cn1nccc1C1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596229384 356824394 /nfs/dbraw/zinc/82/43/94/356824394.db2.gz AFEXWMZVBXESSR-UHFFFAOYSA-N -1 3 301.306 1.723 20 5 DDBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599511716 357960670 /nfs/dbraw/zinc/96/06/70/357960670.db2.gz QYIHETUNSSZJJC-XWEPSHTISA-N -1 3 320.754 1.704 20 5 DDBDHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000599519061 357962471 /nfs/dbraw/zinc/96/24/71/357962471.db2.gz YEFDVJDPTDYLFV-WAAGHKOSSA-N -1 3 318.326 1.437 20 5 DDBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000599471914 357948539 /nfs/dbraw/zinc/94/85/39/357948539.db2.gz GZPKYPNHIBNLLX-UHFFFAOYSA-N -1 3 313.335 1.027 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])s1 ZINC000601499692 358576927 /nfs/dbraw/zinc/57/69/27/358576927.db2.gz RADGEQHEANOJPS-BWVDBABLSA-N -1 3 320.392 1.809 20 5 DDBDHM C[C@H]1COCCN1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403028 359618661 /nfs/dbraw/zinc/61/86/61/359618661.db2.gz QRWIAHMHTSLZBM-NSHDSACASA-N -1 3 322.365 1.385 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc2nccnc2cc1F ZINC000348484209 283527450 /nfs/dbraw/zinc/52/74/50/283527450.db2.gz ZPLBDFRBUOMJEV-UHFFFAOYSA-N -1 3 316.252 1.663 20 5 DDBDHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610739757 360523312 /nfs/dbraw/zinc/52/33/12/360523312.db2.gz OMSNMDFZTYBTSP-QWRGUYRKSA-N -1 3 314.363 1.688 20 5 DDBDHM CCOC(=O)c1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000610724424 360517133 /nfs/dbraw/zinc/51/71/33/360517133.db2.gz KOULXBRXEMVHBK-UHFFFAOYSA-N -1 3 322.302 1.875 20 5 DDBDHM CC[C@H](CN1CCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612544069 361060134 /nfs/dbraw/zinc/06/01/34/361060134.db2.gz CNUSENRFLFTONU-GFCCVEGCSA-N -1 3 307.350 1.905 20 5 DDBDHM CCOC(=O)c1ncc(NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]1 ZINC000619447661 364014619 /nfs/dbraw/zinc/01/46/19/364014619.db2.gz JQKOQLFIBMMVSM-UHFFFAOYSA-N -1 3 307.266 1.085 20 5 DDBDHM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)c[n-]1 ZINC000619447661 364014624 /nfs/dbraw/zinc/01/46/24/364014624.db2.gz JQKOQLFIBMMVSM-UHFFFAOYSA-N -1 3 307.266 1.085 20 5 DDBDHM C[C@H]1CCCCN1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160032476 197381292 /nfs/dbraw/zinc/38/12/92/197381292.db2.gz XOIQSCLXVPXGHU-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1[nH]ncc1CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336863895 249271839 /nfs/dbraw/zinc/27/18/39/249271839.db2.gz PBLSPYCZIADBRZ-UHFFFAOYSA-N -1 3 304.306 1.695 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)c([N+](=O)[O-])c1 ZINC000337142329 249364054 /nfs/dbraw/zinc/36/40/54/249364054.db2.gz UASJVNAPNCXWCD-UHFFFAOYSA-N -1 3 310.291 1.200 20 5 DDBDHM C[C@H]1CCNC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000193410562 300001628 /nfs/dbraw/zinc/00/16/28/300001628.db2.gz NUQIRBHVJBTTJA-WPRPVWTQSA-N -1 3 317.342 1.010 20 5 DDBDHM CN(C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000294124855 223864643 /nfs/dbraw/zinc/86/46/43/223864643.db2.gz PVGSGZNHDJAJNZ-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC000339055946 250273008 /nfs/dbraw/zinc/27/30/08/250273008.db2.gz HPMFYPFBORSGMM-GFCCVEGCSA-N -1 3 314.363 1.607 20 5 DDBDHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000270322857 208394079 /nfs/dbraw/zinc/39/40/79/208394079.db2.gz IYTKGGHBJWCOTF-ZETCQYMHSA-N -1 3 312.307 1.255 20 5 DDBDHM CCn1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000352632685 285187584 /nfs/dbraw/zinc/18/75/84/285187584.db2.gz HBJKBVXZQPEHKH-UHFFFAOYSA-N -1 3 324.362 1.598 20 5 DDBDHM Cc1ocnc1C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000128768662 407569814 /nfs/dbraw/zinc/56/98/14/407569814.db2.gz WZLQGUGZDAUMKK-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2nccs2)cc1 ZINC000075788612 406941914 /nfs/dbraw/zinc/94/19/14/406941914.db2.gz CTCFKGXPVZDHHA-UHFFFAOYSA-N -1 3 313.360 1.671 20 5 DDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000123141001 407320838 /nfs/dbraw/zinc/32/08/38/407320838.db2.gz STMRQNKKGUFKPK-ZETCQYMHSA-N -1 3 308.743 1.216 20 5 DDBDHM C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000097444846 407293979 /nfs/dbraw/zinc/29/39/79/407293979.db2.gz CAXUZVGBPRHWPN-QMMMGPOBSA-N -1 3 322.770 1.545 20 5 DDBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128787227 407573447 /nfs/dbraw/zinc/57/34/47/407573447.db2.gz YQCIWYHILGAFJU-SNVBAGLBSA-N -1 3 316.379 1.670 20 5 DDBDHM COc1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000271239320 407591557 /nfs/dbraw/zinc/59/15/57/407591557.db2.gz DJVOEPDBUBSZFW-SSDOTTSWSA-N -1 3 323.334 1.841 20 5 DDBDHM COc1nc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000271239320 407591564 /nfs/dbraw/zinc/59/15/64/407591564.db2.gz DJVOEPDBUBSZFW-SSDOTTSWSA-N -1 3 323.334 1.841 20 5 DDBDHM COc1n[n-]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000271239320 407591566 /nfs/dbraw/zinc/59/15/66/407591566.db2.gz DJVOEPDBUBSZFW-SSDOTTSWSA-N -1 3 323.334 1.841 20 5 DDBDHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000221174532 407544276 /nfs/dbraw/zinc/54/42/76/407544276.db2.gz PFUXQIYWUARHJH-VIFPVBQESA-N -1 3 317.342 1.106 20 5 DDBDHM COC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272140846 407790742 /nfs/dbraw/zinc/79/07/42/407790742.db2.gz ZTZMJENNVBZZRW-UHFFFAOYSA-N -1 3 316.260 1.754 20 5 DDBDHM CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182003710 408062305 /nfs/dbraw/zinc/06/23/05/408062305.db2.gz FMXRBAVFNQSMAP-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274780048 408529551 /nfs/dbraw/zinc/52/95/51/408529551.db2.gz KGNHRSZAGCTODN-RNCFNFMXSA-N -1 3 305.334 1.513 20 5 DDBDHM CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248533049 408581789 /nfs/dbraw/zinc/58/17/89/408581789.db2.gz YXXAYWWNUVIXLB-CMPLNLGQSA-N -1 3 307.350 1.759 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCSC ZINC000265468832 408664083 /nfs/dbraw/zinc/66/40/83/408664083.db2.gz JPIJXHKIQHMNBI-UHFFFAOYSA-N -1 3 320.392 1.635 20 5 DDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189984833 163127440 /nfs/dbraw/zinc/12/74/40/163127440.db2.gz OCSVRPULZZIMOM-JTQLQIEISA-N -1 3 302.352 1.261 20 5 DDBDHM COCCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287667122 409073327 /nfs/dbraw/zinc/07/33/27/409073327.db2.gz DAGMXJUDNNTVOX-UHFFFAOYSA-N -1 3 302.714 1.875 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278960676 409121899 /nfs/dbraw/zinc/12/18/99/409121899.db2.gz BIDBMQBVVHOEKH-CQSZACIVSA-N -1 3 304.306 1.082 20 5 DDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279125030 409153053 /nfs/dbraw/zinc/15/30/53/409153053.db2.gz VFTXBLPRROWMNH-BMIGLBTASA-N -1 3 318.333 1.330 20 5 DDBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000293748557 409172943 /nfs/dbraw/zinc/17/29/43/409172943.db2.gz IMSMSSQJVUYYHN-GFCCVEGCSA-N -1 3 314.363 1.607 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCCO)c1C ZINC000279526680 409231611 /nfs/dbraw/zinc/23/16/11/409231611.db2.gz UDNIEYKZJSROML-UHFFFAOYSA-N -1 3 316.379 1.653 20 5 DDBDHM Cc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=O)n1 ZINC000343590550 410556221 /nfs/dbraw/zinc/55/62/21/410556221.db2.gz WQDIUKWNTAHNLG-SECBINFHSA-N -1 3 302.290 1.890 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000330419759 410678762 /nfs/dbraw/zinc/67/87/62/410678762.db2.gz PNXXPWSXKKNGGO-ZYHUDNBSSA-N -1 3 314.363 1.749 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)=O)cs2)n1 ZINC000191475867 222102840 /nfs/dbraw/zinc/10/28/40/222102840.db2.gz GAANVVCHVJISSV-UHFFFAOYSA-N -1 3 309.307 1.723 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CS1 ZINC000416597782 420429966 /nfs/dbraw/zinc/42/99/66/420429966.db2.gz SKIYSGGZKHDUKT-SFYZADRCSA-N -1 3 320.367 1.906 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000492378885 420539144 /nfs/dbraw/zinc/53/91/44/420539144.db2.gz URQNZJHXVRNGPH-RKDXNWHRSA-N -1 3 320.392 1.402 20 5 DDBDHM COc1ccc(CC(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000526941198 421340236 /nfs/dbraw/zinc/34/02/36/421340236.db2.gz PNMFIEFETKCRCP-UHFFFAOYSA-N -1 3 317.301 1.563 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000555511986 421680750 /nfs/dbraw/zinc/68/07/50/421680750.db2.gz PYTKNYLMBUVKMK-UHFFFAOYSA-N -1 3 320.261 1.122 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000555511986 421680754 /nfs/dbraw/zinc/68/07/54/421680754.db2.gz PYTKNYLMBUVKMK-UHFFFAOYSA-N -1 3 320.261 1.122 20 5 DDBDHM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000521050525 421771765 /nfs/dbraw/zinc/77/17/65/421771765.db2.gz RXSYKVHBEDRHRY-SNVBAGLBSA-N -1 3 320.349 1.609 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000581984193 422081808 /nfs/dbraw/zinc/08/18/08/422081808.db2.gz UOUYBFIMVVNILA-JTQLQIEISA-N -1 3 313.317 2.067 20 5 DDBDHM C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000578326334 422545383 /nfs/dbraw/zinc/54/53/83/422545383.db2.gz QYDNVYROWHLNTQ-QWRGUYRKSA-N -1 3 323.349 1.184 20 5 DDBDHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344874579 272134329 /nfs/dbraw/zinc/13/43/29/272134329.db2.gz CLBVJUBOSDMCTD-MRVPVSSYSA-N -1 3 321.786 1.477 20 5 DDBDHM Cn1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1=O ZINC000114131013 279367243 /nfs/dbraw/zinc/36/72/43/279367243.db2.gz WFVJNFORIRYXPU-UHFFFAOYSA-N -1 3 313.273 1.422 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000273495337 290230925 /nfs/dbraw/zinc/23/09/25/290230925.db2.gz PEIGWLTVNLDZTO-GXFFZTMASA-N -1 3 305.334 1.467 20 5 DDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000356735304 298861921 /nfs/dbraw/zinc/86/19/21/298861921.db2.gz XUGLQKJNQNGJDW-UHFFFAOYSA-N -1 3 319.325 1.677 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@](C)(O)C1 ZINC000416669886 302050227 /nfs/dbraw/zinc/05/02/27/302050227.db2.gz SIFCLSFWVZAMDC-WVSHTKLVSA-N -1 3 300.336 1.095 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000052003584 304810278 /nfs/dbraw/zinc/81/02/78/304810278.db2.gz ZNFYTOZEVJJZGI-MWLCHTKSSA-N -1 3 300.336 1.177 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H](C)O ZINC000395666199 307296350 /nfs/dbraw/zinc/29/63/50/307296350.db2.gz WMZZEWKQHHKUMN-ZJUUUORDSA-N -1 3 302.352 1.341 20 5 DDBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000416526801 533701843 /nfs/dbraw/zinc/70/18/43/533701843.db2.gz BOJQUPUMUMYYMA-WPRPVWTQSA-N -1 3 318.326 1.580 20 5 DDBDHM O=C([O-])CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000583089470 337239273 /nfs/dbraw/zinc/23/92/73/337239273.db2.gz HIBAFFCTMNJJEP-UHFFFAOYSA-N -1 3 304.306 1.378 20 5 DDBDHM CS[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737173719 598853820 /nfs/dbraw/zinc/85/38/20/598853820.db2.gz ZZPLLTRERVGZMF-CPCISQLKSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737173719 598853822 /nfs/dbraw/zinc/85/38/22/598853822.db2.gz ZZPLLTRERVGZMF-CPCISQLKSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737172269 598854354 /nfs/dbraw/zinc/85/43/54/598854354.db2.gz SIDXQMAHRJWSEE-HQJQHLMTSA-N -1 3 324.366 1.299 20 5 DDBDHM CS[C@@H](CO)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737172269 598854355 /nfs/dbraw/zinc/85/43/55/598854355.db2.gz SIDXQMAHRJWSEE-HQJQHLMTSA-N -1 3 324.366 1.299 20 5 DDBDHM CSC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821956612 607346884 /nfs/dbraw/zinc/34/68/84/607346884.db2.gz SVTSCXAJHQHHQE-GFCCVEGCSA-N -1 3 324.366 1.301 20 5 DDBDHM C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C(=O)[O-] ZINC000828457063 601500431 /nfs/dbraw/zinc/50/04/31/601500431.db2.gz QKIJASLPHZPOFA-RNCFNFMXSA-N -1 3 322.317 1.614 20 5 DDBDHM C[C@@H](O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824690844 607563109 /nfs/dbraw/zinc/56/31/09/607563109.db2.gz VZOOXVNVDOOLDL-MWLCHTKSSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@@H](O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824690844 607563111 /nfs/dbraw/zinc/56/31/11/607563111.db2.gz VZOOXVNVDOOLDL-MWLCHTKSSA-N -1 3 318.337 1.372 20 5 DDBDHM CCCCCN(CCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821056798 606163326 /nfs/dbraw/zinc/16/33/26/606163326.db2.gz XPTCUEAVORANDR-UHFFFAOYSA-N -1 3 320.353 1.764 20 5 DDBDHM CCCCCN(CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821056798 606163328 /nfs/dbraw/zinc/16/33/28/606163328.db2.gz XPTCUEAVORANDR-UHFFFAOYSA-N -1 3 320.353 1.764 20 5 DDBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826499377 607968631 /nfs/dbraw/zinc/96/86/31/607968631.db2.gz GRCGFRKAPMHWPL-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826499377 607968632 /nfs/dbraw/zinc/96/86/32/607968632.db2.gz GRCGFRKAPMHWPL-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM CC(C)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824226298 609320562 /nfs/dbraw/zinc/32/05/62/609320562.db2.gz XUJYSHRSFMEWBX-CYBMUJFWSA-N -1 3 318.337 1.636 20 5 DDBDHM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824226298 609320563 /nfs/dbraw/zinc/32/05/63/609320563.db2.gz XUJYSHRSFMEWBX-CYBMUJFWSA-N -1 3 318.337 1.636 20 5 DDBDHM COc1ncnc(OC)c1C(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000730089008 699500055 /nfs/dbraw/zinc/50/00/55/699500055.db2.gz MBNICIGZFLMQAN-UHFFFAOYSA-N -1 3 322.252 1.793 20 5 DDBDHM COc1ccc(CC(=O)[N-]OCCSC)cc1[N+](=O)[O-] ZINC000794195231 699797218 /nfs/dbraw/zinc/79/72/18/699797218.db2.gz KUAVCEBDMTYJDE-UHFFFAOYSA-N -1 3 300.336 1.557 20 5 DDBDHM CCn1ncn([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1=O ZINC000816734866 702169758 /nfs/dbraw/zinc/16/97/58/702169758.db2.gz ICUDORNCGYBIMT-UHFFFAOYSA-N -1 3 323.334 1.079 20 5 DDBDHM O=C([O-])CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000844215658 702993767 /nfs/dbraw/zinc/99/37/67/702993767.db2.gz IMMJQYCWGYWGDX-UHFFFAOYSA-N -1 3 316.317 1.350 20 5 DDBDHM O=C([N-]N1CCOC1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000862701894 705779627 /nfs/dbraw/zinc/77/96/27/705779627.db2.gz OSTYROGCKFZKMV-UHFFFAOYSA-N -1 3 319.195 1.711 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCC3)c(F)c1 ZINC000872652105 707533489 /nfs/dbraw/zinc/53/34/89/707533489.db2.gz IJRKDCSNOVNEAN-LLVKDONJSA-N -1 3 300.311 1.955 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CSC1 ZINC000921866029 713890088 /nfs/dbraw/zinc/89/00/88/713890088.db2.gz PDETVXMKRDRXGC-UHFFFAOYSA-N -1 3 308.768 1.642 20 5 DDBDHM CCN(CCNC(=O)CC1(C)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100663918 735524134 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CN(CCNC(=O)C1(C)CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100249848 775890885 /nfs/dbraw/zinc/89/08/85/775890885.db2.gz VUHVEZDZPDJOEU-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM COc1cc(CNc2cc(CO)ccn2)c([N+](=O)[O-])cc1[O-] ZINC001178991788 779253316 /nfs/dbraw/zinc/25/33/16/779253316.db2.gz IDMKRDNGINNWPJ-UHFFFAOYSA-N -1 3 305.290 1.808 20 5 DDBDHM COc1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001470836047 858492799 /nfs/dbraw/zinc/49/27/99/858492799.db2.gz DOKMBHTZTKJFDY-UHFFFAOYSA-N -1 3 304.675 1.084 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1-n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001163041266 868022910 /nfs/dbraw/zinc/02/29/10/868022910.db2.gz CFYJJRJYCDAYET-UHFFFAOYSA-N -1 3 319.302 1.589 20 5 DDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001340811740 871367745 /nfs/dbraw/zinc/36/77/45/871367745.db2.gz JIUINFJORCCADL-UHFFFAOYSA-N -1 3 302.250 1.564 20 5 DDBDHM Cc1cc(=O)[n-]c(CNc2c3ccccc3ncc2[N+](=O)[O-])n1 ZINC001307157513 871402687 /nfs/dbraw/zinc/40/26/87/871402687.db2.gz 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ZINC000069369009 353158877 /nfs/dbraw/zinc/15/88/77/353158877.db2.gz OXIKDLJDQMCDGL-UHFFFAOYSA-N -1 3 303.274 1.885 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000120809495 354015022 /nfs/dbraw/zinc/01/50/22/354015022.db2.gz YLBRGQHSUHACJG-MNOVXSKESA-N -1 3 316.379 1.589 20 5 DDBDHM O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586776412 354864660 /nfs/dbraw/zinc/86/46/60/354864660.db2.gz HGZMWSOLWUKSBC-NSHDSACASA-N -1 3 305.334 1.515 20 5 DDBDHM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592829310 355706160 /nfs/dbraw/zinc/70/61/60/355706160.db2.gz NLFCVFMVOWPPGW-GFCCVEGCSA-N -1 3 307.350 1.857 20 5 DDBDHM COC1CCN(CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592976900 355760382 /nfs/dbraw/zinc/76/03/82/355760382.db2.gz HGSDBSZXMPPHEP-UHFFFAOYSA-N -1 3 323.349 1.816 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2nccn21 ZINC000593610677 355941965 /nfs/dbraw/zinc/94/19/65/355941965.db2.gz YZJAPLVNUQNJEX-SCZZXKLOSA-N -1 3 323.334 1.171 20 5 DDBDHM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCCc2cn[nH]c21 ZINC000594764277 356310698 /nfs/dbraw/zinc/31/06/98/356310698.db2.gz JFKUQNNSNRKTBI-SECBINFHSA-N -1 3 323.334 1.069 20 5 DDBDHM O=c1[n-]c(=O)n(CCOc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000081274838 192243564 /nfs/dbraw/zinc/24/35/64/192243564.db2.gz BSCAXJUBXQROPD-UHFFFAOYSA-N -1 3 311.681 1.177 20 5 DDBDHM O=c1[n-]ccc(NCCC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000596179470 356803832 /nfs/dbraw/zinc/80/38/32/356803832.db2.gz QEGDRHZQJRDQKM-UHFFFAOYSA-N -1 3 315.351 1.322 20 5 DDBDHM COC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000596291672 356847567 /nfs/dbraw/zinc/84/75/67/356847567.db2.gz MSCCOBAVPLCAQP-VHSXEESVSA-N -1 3 307.306 1.331 20 5 DDBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ccc([N+](=O)[O-])cn1 ZINC000599086414 357811297 /nfs/dbraw/zinc/81/12/97/357811297.db2.gz MEDKGAVNBAYJTJ-UHFFFAOYSA-N -1 3 318.333 1.918 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601499851 358576937 /nfs/dbraw/zinc/57/69/37/358576937.db2.gz SYGPXMDUBOUNLV-BBBLOLIVSA-N -1 3 300.336 1.439 20 5 DDBDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610739756 360523120 /nfs/dbraw/zinc/52/31/20/360523120.db2.gz OMSNMDFZTYBTSP-MNOVXSKESA-N -1 3 314.363 1.688 20 5 DDBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000612032893 360895487 /nfs/dbraw/zinc/89/54/87/360895487.db2.gz TWTGLCXDFWMCII-UHFFFAOYSA-N -1 3 315.289 1.681 20 5 DDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000191216260 294279762 /nfs/dbraw/zinc/27/97/62/294279762.db2.gz DLTZIGPXANPGMU-SSDOTTSWSA-N -1 3 308.743 1.561 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1F ZINC000339118013 250301897 /nfs/dbraw/zinc/30/18/97/250301897.db2.gz CUOZAHIQRIEGBT-NXEZZACHSA-N -1 3 318.326 1.772 20 5 DDBDHM C[C@H](CN1CCCCC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269163145 207286005 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DDBDHM CCN(CC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000243563398 407922585 /nfs/dbraw/zinc/92/25/85/407922585.db2.gz ONIGVYOOLIULDU-UHFFFAOYSA-N -1 3 303.340 1.602 20 5 DDBDHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000245632662 408030939 /nfs/dbraw/zinc/03/09/39/408030939.db2.gz VRLFZCXHDMYBPA-GXFFZTMASA-N -1 3 307.350 1.713 20 5 DDBDHM COCc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000273141388 408077557 /nfs/dbraw/zinc/07/75/57/408077557.db2.gz VOXIVQBTDNLMMP-UHFFFAOYSA-N -1 3 324.318 1.854 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000264408687 408479000 /nfs/dbraw/zinc/47/90/00/408479000.db2.gz SJBXGHDRNWOHCR-VIFPVBQESA-N -1 3 316.335 1.061 20 5 DDBDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000357320780 409974440 /nfs/dbraw/zinc/97/44/40/409974440.db2.gz XKWODSRUCFGOPX-UHFFFAOYSA-N -1 3 306.234 1.057 20 5 DDBDHM CCc1cc(=O)[n-]c(CSCc2c([N+](=O)[O-])ncn2C)n1 ZINC000357358511 409991160 /nfs/dbraw/zinc/99/11/60/409991160.db2.gz YGOSKWDLBVISBP-UHFFFAOYSA-N -1 3 309.351 1.820 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCOCC1 ZINC000298870867 410433002 /nfs/dbraw/zinc/43/30/02/410433002.db2.gz VWKSHRXMUSOQIE-UHFFFAOYSA-N -1 3 316.335 1.061 20 5 DDBDHM Cc1nccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000353426956 410978338 /nfs/dbraw/zinc/97/83/38/410978338.db2.gz NSVFQDSFEGQNRM-UHFFFAOYSA-N -1 3 322.346 1.313 20 5 DDBDHM CCOCCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337775315 410995725 /nfs/dbraw/zinc/99/57/25/410995725.db2.gz HHKBNMMBQGYHRK-UHFFFAOYSA-N -1 3 316.379 1.998 20 5 DDBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccco1 ZINC000188573483 222018583 /nfs/dbraw/zinc/01/85/83/222018583.db2.gz HBZMHMCLSOVFQN-UHFFFAOYSA-N -1 3 311.319 1.578 20 5 DDBDHM NC(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361917909 418725596 /nfs/dbraw/zinc/72/55/96/418725596.db2.gz BQRYVPVWZLPYMY-UHFFFAOYSA-N -1 3 317.261 1.438 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000430048661 420073052 /nfs/dbraw/zinc/07/30/52/420073052.db2.gz YBDAFKZEULLSHB-WDEREUQCSA-N -1 3 312.347 1.680 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2 ZINC000451894167 420615165 /nfs/dbraw/zinc/61/51/65/420615165.db2.gz UUBGBORLLNTYEH-GFCCVEGCSA-N -1 3 312.347 1.442 20 5 DDBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000546641013 421300450 /nfs/dbraw/zinc/30/04/50/421300450.db2.gz JIJKHSOTGFIABO-SECBINFHSA-N -1 3 322.408 1.914 20 5 DDBDHM O=C([O-])CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000514791163 421454559 /nfs/dbraw/zinc/45/45/59/421454559.db2.gz HLIMLIGQDBKEFN-UHFFFAOYSA-N -1 3 322.296 1.517 20 5 DDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1O ZINC000180849081 263366841 /nfs/dbraw/zinc/36/68/41/263366841.db2.gz XHFWPJUDUNHDAI-UHFFFAOYSA-N -1 3 302.286 1.979 20 5 DDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000345229187 272194365 /nfs/dbraw/zinc/19/43/65/272194365.db2.gz QSFSXEWDICBNMG-UHFFFAOYSA-N -1 3 314.301 1.218 20 5 DDBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000345468547 272259493 /nfs/dbraw/zinc/25/94/93/272259493.db2.gz ODBUVFISQFAZHF-MRVPVSSYSA-N -1 3 316.335 1.458 20 5 DDBDHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000130125978 276160147 /nfs/dbraw/zinc/16/01/47/276160147.db2.gz PCQBSETZPRCYIW-QWRGUYRKSA-N -1 3 318.326 1.172 20 5 DDBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000130475357 304553581 /nfs/dbraw/zinc/55/35/81/304553581.db2.gz QUWAMJZKKBIFOD-LLVKDONJSA-N -1 3 305.334 1.611 20 5 DDBDHM NC(=O)[N-]C(=O)OCCCSc1ccc([N+](=O)[O-])cn1 ZINC000495664949 307313820 /nfs/dbraw/zinc/31/38/20/307313820.db2.gz PSLXOJJWEQMRGM-UHFFFAOYSA-N -1 3 300.296 1.277 20 5 DDBDHM COc1cccc(N2CCN(C(C)(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000566799302 308064129 /nfs/dbraw/zinc/06/41/29/308064129.db2.gz DENITOBPXFQDKX-UHFFFAOYSA-N -1 3 323.349 1.589 20 5 DDBDHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573378895 308238864 /nfs/dbraw/zinc/23/88/64/308238864.db2.gz XRTOFNVQEKWZIC-QWRGUYRKSA-N -1 3 316.379 1.670 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2cncnc2C1 ZINC000738357595 598333723 /nfs/dbraw/zinc/33/37/23/598333723.db2.gz GBUUTACFZLLBSA-UHFFFAOYSA-N -1 3 324.304 1.128 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2cncnc2C1 ZINC000738357595 598333725 /nfs/dbraw/zinc/33/37/25/598333725.db2.gz GBUUTACFZLLBSA-UHFFFAOYSA-N -1 3 324.304 1.128 20 5 DDBDHM CC[C@H](C)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736327762 598773836 /nfs/dbraw/zinc/77/38/36/598773836.db2.gz GBDYUVQBWWJCOT-LKFCYVNXSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736327762 598773838 /nfs/dbraw/zinc/77/38/38/598773838.db2.gz GBDYUVQBWWJCOT-LKFCYVNXSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736327764 598774216 /nfs/dbraw/zinc/77/42/16/598774216.db2.gz GBDYUVQBWWJCOT-XPTSAGLGSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736327764 598774217 /nfs/dbraw/zinc/77/42/17/598774217.db2.gz GBDYUVQBWWJCOT-XPTSAGLGSA-N -1 3 320.353 1.984 20 5 DDBDHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821677284 599686648 /nfs/dbraw/zinc/68/66/48/599686648.db2.gz STIJTLZSBYAOCK-LBPRGKRZSA-N -1 3 306.326 1.858 20 5 DDBDHM CO[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000821677284 599686649 /nfs/dbraw/zinc/68/66/49/599686649.db2.gz STIJTLZSBYAOCK-LBPRGKRZSA-N -1 3 306.326 1.858 20 5 DDBDHM C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CNC(=O)[O-] ZINC000825925597 603708330 /nfs/dbraw/zinc/70/83/30/603708330.db2.gz QDSYCYAZTSFRBO-MNOVXSKESA-N -1 3 311.342 1.159 20 5 DDBDHM C[C@]1(C(=O)[O-])CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833553586 604681154 /nfs/dbraw/zinc/68/11/54/604681154.db2.gz FTYASGVKQPUNPO-HNNXBMFYSA-N -1 3 322.317 1.663 20 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/nfs/dbraw/zinc/80/17/58/608801758.db2.gz ORNDHASYFPZESE-YUMQZZPRSA-N -1 3 305.298 1.149 20 5 DDBDHM C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824899813 608801763 /nfs/dbraw/zinc/80/17/63/608801763.db2.gz ORNDHASYFPZESE-YUMQZZPRSA-N -1 3 305.298 1.149 20 5 DDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826442630 609203429 /nfs/dbraw/zinc/20/34/29/609203429.db2.gz DWGKCRLPOGVFOV-UHFFFAOYSA-N -1 3 313.277 1.033 20 5 DDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826442630 609203430 /nfs/dbraw/zinc/20/34/30/609203430.db2.gz DWGKCRLPOGVFOV-UHFFFAOYSA-N -1 3 313.277 1.033 20 5 DDBDHM CC(=O)c1ccc(N2CCc3c(nc[n-]c3=O)C2)c([N+](=O)[O-])c1 ZINC000784171079 698913761 /nfs/dbraw/zinc/91/37/61/698913761.db2.gz KLLLVUAFUOEXGR-UHFFFAOYSA-N -1 3 314.301 1.856 20 5 DDBDHM CN(CCOC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821603922 704426017 /nfs/dbraw/zinc/42/60/17/704426017.db2.gz VGMAFKFLPWEKNN-UHFFFAOYSA-N -1 3 321.341 1.421 20 5 DDBDHM CN(CCOC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821603922 704426021 /nfs/dbraw/zinc/42/60/21/704426021.db2.gz VGMAFKFLPWEKNN-UHFFFAOYSA-N -1 3 321.341 1.421 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c([N+](=O)[O-])s1 ZINC000867151881 706910320 /nfs/dbraw/zinc/91/03/20/706910320.db2.gz PUYYXQCZZZVQCX-SECBINFHSA-N -1 3 318.376 1.936 20 5 DDBDHM CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000874832532 705190437 /nfs/dbraw/zinc/19/04/37/705190437.db2.gz FRVHXGASGRUOIA-CHWSQXEVSA-N -1 3 305.334 1.609 20 5 DDBDHM O=[N+]([O-])c1ccccc1OCCn1ccc(-c2nnn[n-]2)c1 ZINC000826500559 705805445 /nfs/dbraw/zinc/80/54/45/705805445.db2.gz BXCJAVHACFTXAC-UHFFFAOYSA-N -1 3 300.278 1.655 20 5 DDBDHM O=[N+]([O-])c1ccccc1OCCn1ccc(-c2nn[n-]n2)c1 ZINC000826500559 705805450 /nfs/dbraw/zinc/80/54/50/705805450.db2.gz BXCJAVHACFTXAC-UHFFFAOYSA-N -1 3 300.278 1.655 20 5 DDBDHM CC(C)(CCC(=O)NCc1nc(C(F)(F)F)n[n-]1)[N+](=O)[O-] ZINC000828876932 706247795 /nfs/dbraw/zinc/24/77/95/706247795.db2.gz JDOOMMOUHQWDPT-UHFFFAOYSA-N -1 3 309.248 1.275 20 5 DDBDHM CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000910285381 709865588 /nfs/dbraw/zinc/86/55/88/709865588.db2.gz YGJLRHJEBTUUEC-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM O=C(NCC=CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccon1 ZINC001107059480 748850862 /nfs/dbraw/zinc/85/08/62/748850862.db2.gz GKHMYYWSPINDNZ-OWOJBTEDSA-N -1 3 319.277 1.082 20 5 DDBDHM O=C(CCCF)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107443893 749964948 /nfs/dbraw/zinc/96/49/48/749964948.db2.gz PUYGXHVMFMBKQE-UPHRSURJSA-N -1 3 312.301 1.529 20 5 DDBDHM CC/C=C(\C)C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095505144 749986599 /nfs/dbraw/zinc/98/65/99/749986599.db2.gz YVOKIVWBCBAILI-IZZDOVSWSA-N -1 3 322.365 1.994 20 5 DDBDHM CC[C@H]1C(=O)NCCN1Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000822698863 758230767 /nfs/dbraw/zinc/23/07/67/758230767.db2.gz BXTYTCWSDNMRAQ-JTQLQIEISA-N -1 3 309.322 1.019 20 5 DDBDHM Cc1noc(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093475532 774710352 /nfs/dbraw/zinc/71/03/52/774710352.db2.gz TUZHMFPJAWPMIC-UHFFFAOYSA-N -1 3 321.293 1.142 20 5 DDBDHM CCN(CCNC(=O)C1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100423931 776133460 /nfs/dbraw/zinc/13/34/60/776133460.db2.gz FVKGKWGMZFHRIG-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM O=c1[n-]ccc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC001330666401 864521614 /nfs/dbraw/zinc/52/16/14/864521614.db2.gz RNRUWASLHAIGBW-LBPRGKRZSA-N -1 3 319.321 1.369 20 5 DDBDHM O=C(NC1CC1)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001333672146 866924498 /nfs/dbraw/zinc/92/44/98/866924498.db2.gz WBWJJCHZPLFHGX-SECBINFHSA-N -1 3 306.322 1.190 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001164381968 869171104 /nfs/dbraw/zinc/17/11/04/869171104.db2.gz IWZVXIPVPAQXMI-SECBINFHSA-N -1 3 302.294 1.166 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)nc1 ZINC001309026360 871545838 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DDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(C)(C)O)c1 ZINC000278625773 214285361 /nfs/dbraw/zinc/28/53/61/214285361.db2.gz MXSQDZOFJUPQPX-UHFFFAOYSA-N -1 3 300.336 1.749 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000286792503 282346798 /nfs/dbraw/zinc/34/67/98/282346798.db2.gz SFYNYEOCCJSAOA-NSHDSACASA-N -1 3 315.395 1.440 20 5 DDBDHM CSc1ccc(C(=O)[N-]N2CCCNC2=O)cc1[N+](=O)[O-] ZINC000272628443 210029528 /nfs/dbraw/zinc/02/95/28/210029528.db2.gz WGDWZFGIKFIATA-UHFFFAOYSA-N -1 3 310.335 1.377 20 5 DDBDHM COC(=O)CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000069057496 353142487 /nfs/dbraw/zinc/14/24/87/353142487.db2.gz BJPYNLLZKSBQHJ-UHFFFAOYSA-N -1 3 316.335 1.216 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]c2cccn(C)c2=O)c([N+](=O)[O-])c1 ZINC000076937586 353443048 /nfs/dbraw/zinc/44/30/48/353443048.db2.gz HTLZSGPDSSZFTA-UHFFFAOYSA-N -1 3 323.330 1.403 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCN(C)CC1 ZINC000078296698 353509786 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DDBDHM CCO[C@H]1C[C@@](N)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000261955765 279924375 /nfs/dbraw/zinc/92/43/75/279924375.db2.gz XCPYCIQUBBLVLN-SWLSCSKDSA-N -1 3 323.349 1.771 20 5 DDBDHM O=C(c1cccc2[n-]nnc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000119112315 281090741 /nfs/dbraw/zinc/09/07/41/281090741.db2.gz DMMHTZGEDYOOBY-UHFFFAOYSA-N -1 3 324.300 1.460 20 5 DDBDHM O=C(c1cccc2nn[n-]c21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000119112315 281090742 /nfs/dbraw/zinc/09/07/42/281090742.db2.gz DMMHTZGEDYOOBY-UHFFFAOYSA-N -1 3 324.300 1.460 20 5 DDBDHM O=C(c1cccc2n[n-]nc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000119112315 281090744 /nfs/dbraw/zinc/09/07/44/281090744.db2.gz DMMHTZGEDYOOBY-UHFFFAOYSA-N -1 3 324.300 1.460 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CCOC1 ZINC000354515848 298458444 /nfs/dbraw/zinc/45/84/44/298458444.db2.gz VBPJRLILEAPODD-ZDUSSCGKSA-N -1 3 314.363 1.608 20 5 DDBDHM O=C(c1cccc([O-])c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373250848 301679641 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CC1(C)[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]21 ZINC000820582881 599049779 /nfs/dbraw/zinc/04/97/79/599049779.db2.gz AMVQZVPRFCYCJO-PHIMTYICSA-N -1 3 300.322 1.867 20 5 DDBDHM C[C@]1(C(=O)[O-])CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000828035276 601888909 /nfs/dbraw/zinc/88/89/09/601888909.db2.gz JYTKXTXEDCJKSU-AWEZNQCLSA-N -1 3 304.306 1.699 20 5 DDBDHM CN(C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739666104 602543590 /nfs/dbraw/zinc/54/35/90/602543590.db2.gz SCAZOSBWDHIIQZ-GFCCVEGCSA-N -1 3 323.349 1.905 20 5 DDBDHM O=C([O-])[C@@H]1CC12CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000833772150 605191522 /nfs/dbraw/zinc/19/15/22/605191522.db2.gz YSXXKAHZJWIHOX-KBPBESRZSA-N -1 3 320.345 1.815 20 5 DDBDHM C[C@@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[S@@](C)=O ZINC000820242695 607041270 /nfs/dbraw/zinc/04/12/70/607041270.db2.gz PKGAKBOJCCDETG-QSIZCVBASA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[S@@](C)=O ZINC000820242695 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324.293 1.532 20 5 DDBDHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287105844 409003790 /nfs/dbraw/zinc/00/37/90/409003790.db2.gz LOEGXVZPLWBILT-BXUZGUMPSA-N -1 3 319.361 1.999 20 5 DDBDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000289449207 409274290 /nfs/dbraw/zinc/27/42/90/409274290.db2.gz FMKQFUZYQDJYOY-GHMZBOCLSA-N -1 3 316.379 1.913 20 5 DDBDHM Cn1nnc2c1nccc2C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000337993265 409632034 /nfs/dbraw/zinc/63/20/34/409632034.db2.gz GEZSMAPUSKKRFZ-UHFFFAOYSA-N -1 3 316.252 1.663 20 5 DDBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000345207797 409665027 /nfs/dbraw/zinc/66/50/27/409665027.db2.gz VXAOEKSTRHCTHP-UHFFFAOYSA-N -1 3 300.274 1.289 20 5 DDBDHM C[C@@H](O)CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330453930 287095774 /nfs/dbraw/zinc/09/57/74/287095774.db2.gz MDDOIBCSIRSLFX-VXGBXAGGSA-N -1 3 309.366 1.187 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000352343719 410635186 /nfs/dbraw/zinc/63/51/86/410635186.db2.gz AFMPTDBQXRKHHS-POYBYMJQSA-N -1 3 322.433 1.995 20 5 DDBDHM Cc1ccnc([N-]c2cnn(CC(=O)N(C)C)c2)c1[N+](=O)[O-] ZINC000301253037 410683496 /nfs/dbraw/zinc/68/34/96/410683496.db2.gz CQKCTLSHXQXBEH-UHFFFAOYSA-N -1 3 304.310 1.327 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000192659532 418525370 /nfs/dbraw/zinc/52/53/70/418525370.db2.gz RYCTYUXGDIZEAB-UHFFFAOYSA-N -1 3 316.199 1.687 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000192659532 418525371 /nfs/dbraw/zinc/52/53/71/418525371.db2.gz RYCTYUXGDIZEAB-UHFFFAOYSA-N -1 3 316.199 1.687 20 5 DDBDHM CC(C)n1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000361316731 418624524 /nfs/dbraw/zinc/62/45/24/418624524.db2.gz UHXZHPUBZDCQNX-UHFFFAOYSA-N -1 3 314.305 2.501 20 5 DDBDHM Cn1ccc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000345148336 418635365 /nfs/dbraw/zinc/63/53/65/418635365.db2.gz LNLMHNGIAXIUFG-UHFFFAOYSA-N -1 3 300.278 1.990 20 5 DDBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CN2CCC1CC2 ZINC000436971247 420389372 /nfs/dbraw/zinc/38/93/72/420389372.db2.gz HXLHFGYBBUHMKA-ZDUSSCGKSA-N -1 3 305.334 1.467 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCC2)c1C ZINC000443723355 230024950 /nfs/dbraw/zinc/02/49/50/230024950.db2.gz XBVRAEIDPWZQTH-UHFFFAOYSA-N -1 3 313.379 1.196 20 5 DDBDHM CCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000416592129 420428632 /nfs/dbraw/zinc/42/86/32/420428632.db2.gz VHAYLSGOXAVJSU-UHFFFAOYSA-N -1 3 324.362 1.598 20 5 DDBDHM CC(C)N1CC[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000457087852 420608041 /nfs/dbraw/zinc/60/80/41/420608041.db2.gz JSENSQIZBBPZQV-LBPRGKRZSA-N -1 3 307.350 1.855 20 5 DDBDHM O=[N+]([O-])c1cccc2ncnc(Sc3nnc(CO)[n-]3)c21 ZINC000530532960 421604607 /nfs/dbraw/zinc/60/46/07/421604607.db2.gz UTZZYZZMCZHNPP-UHFFFAOYSA-N -1 3 304.291 1.300 20 5 DDBDHM O=[N+]([O-])c1cccc2ncnc(Sc3n[n-]c(CO)n3)c21 ZINC000530532960 421604611 /nfs/dbraw/zinc/60/46/11/421604611.db2.gz UTZZYZZMCZHNPP-UHFFFAOYSA-N -1 3 304.291 1.300 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000517736460 421625247 /nfs/dbraw/zinc/62/52/47/421625247.db2.gz RYNYIGZPLRNBLL-MNOVXSKESA-N -1 3 314.363 1.667 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000532195561 421652013 /nfs/dbraw/zinc/65/20/13/421652013.db2.gz UIPWXPCFOMUEFA-UHFFFAOYSA-N -1 3 314.363 1.669 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000341755553 271200617 /nfs/dbraw/zinc/20/06/17/271200617.db2.gz PIPYFMIDCPCQMA-SECBINFHSA-N -1 3 316.335 1.133 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000342504924 271440213 /nfs/dbraw/zinc/44/02/13/271440213.db2.gz ILRVEQBLIRJEOT-UHFFFAOYSA-N -1 3 320.392 1.406 20 5 DDBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccncc1[O-] ZINC000345368077 272232304 /nfs/dbraw/zinc/23/23/04/272232304.db2.gz ABALKHSPQYHHSA-UHFFFAOYSA-N -1 3 316.317 1.948 20 5 DDBDHM COc1c(F)cc(F)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357920583 299020157 /nfs/dbraw/zinc/02/01/57/299020157.db2.gz BNWXKFBXSIYBKK-UHFFFAOYSA-N -1 3 312.232 1.867 20 5 DDBDHM O=C([N-]c1nc2c(s1)CSCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000569879994 308152613 /nfs/dbraw/zinc/15/26/13/308152613.db2.gz OPGUDOOSGVLFRL-UHFFFAOYSA-N -1 3 311.348 1.816 20 5 DDBDHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[n-]nn1 ZINC000570006231 308156246 /nfs/dbraw/zinc/15/62/46/308156246.db2.gz YDMOKBWZMONONP-UHFFFAOYSA-N -1 3 300.278 1.167 20 5 DDBDHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn[n-]1 ZINC000570006231 308156247 /nfs/dbraw/zinc/15/62/47/308156247.db2.gz YDMOKBWZMONONP-UHFFFAOYSA-N -1 3 300.278 1.167 20 5 DDBDHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cn[n-]n1 ZINC000570006231 308156249 /nfs/dbraw/zinc/15/62/49/308156249.db2.gz YDMOKBWZMONONP-UHFFFAOYSA-N -1 3 300.278 1.167 20 5 DDBDHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000156116228 525270466 /nfs/dbraw/zinc/27/04/66/525270466.db2.gz RWCKZMLUTXDARQ-GFCCVEGCSA-N -1 3 300.336 1.442 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]1CCO ZINC000823630532 599148023 /nfs/dbraw/zinc/14/80/23/599148023.db2.gz ZONFJLGPSNXHHI-NSHDSACASA-N -1 3 318.337 1.516 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@H]1CCO ZINC000823630532 599148024 /nfs/dbraw/zinc/14/80/24/599148024.db2.gz ZONFJLGPSNXHHI-NSHDSACASA-N -1 3 318.337 1.516 20 5 DDBDHM COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736970628 598817552 /nfs/dbraw/zinc/81/75/52/598817552.db2.gz DICSJKFSDSLKCN-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736970628 598817553 /nfs/dbraw/zinc/81/75/53/598817553.db2.gz DICSJKFSDSLKCN-SNVBAGLBSA-N -1 3 318.337 1.638 20 5 DDBDHM CN(C[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825908649 607851019 /nfs/dbraw/zinc/85/10/19/607851019.db2.gz KJGYRGOWOOFBJP-NOZJJQNGSA-N -1 3 318.337 1.372 20 5 DDBDHM CN(C[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825908649 607851020 /nfs/dbraw/zinc/85/10/20/607851020.db2.gz KJGYRGOWOOFBJP-NOZJJQNGSA-N -1 3 318.337 1.372 20 5 DDBDHM CC(C)(CO)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819984557 599569934 /nfs/dbraw/zinc/56/99/34/599569934.db2.gz YBNWJMALUCRMCT-UHFFFAOYSA-N -1 3 320.353 1.986 20 5 DDBDHM CC(C)(CO)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819984557 599569936 /nfs/dbraw/zinc/56/99/36/599569936.db2.gz YBNWJMALUCRMCT-UHFFFAOYSA-N -1 3 320.353 1.986 20 5 DDBDHM C[C@@H]1CCN(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000828289586 601111945 /nfs/dbraw/zinc/11/19/45/601111945.db2.gz IYIJQHGKVUZDTA-SNVBAGLBSA-N -1 3 321.333 1.365 20 5 DDBDHM C[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000828473011 601813276 /nfs/dbraw/zinc/81/32/76/601813276.db2.gz UJKTWRJEJWXPLL-CABZTGNLSA-N -1 3 304.306 1.555 20 5 DDBDHM COc1ccc(Cn2c(C)ncc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826208779 607544247 /nfs/dbraw/zinc/54/42/47/607544247.db2.gz ZUQKHQNGZPSBAJ-UHFFFAOYSA-N -1 3 315.293 1.337 20 5 DDBDHM COc1ccc(Cn2c(C)ncc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826208779 607544249 /nfs/dbraw/zinc/54/42/49/607544249.db2.gz ZUQKHQNGZPSBAJ-UHFFFAOYSA-N -1 3 315.293 1.337 20 5 DDBDHM C[C@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824690543 607562306 /nfs/dbraw/zinc/56/23/06/607562306.db2.gz SZNLEKDTRITCQG-UWVGGRQHSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824690543 607562308 /nfs/dbraw/zinc/56/23/08/607562308.db2.gz SZNLEKDTRITCQG-UWVGGRQHSA-N -1 3 318.337 1.372 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)cc1-c1nnn[n-]1 ZINC000826498978 607567627 /nfs/dbraw/zinc/56/76/27/607567627.db2.gz QTVDEDHKUFRJFX-UHFFFAOYSA-N -1 3 315.337 1.059 20 5 DDBDHM O=C([O-])[C@H](O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000833770265 604976434 /nfs/dbraw/zinc/97/64/34/604976434.db2.gz BNGXAHWQSSIVRM-CQSZACIVSA-N -1 3 324.333 1.131 20 5 DDBDHM C[C@@H](C[C@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235352 607114163 /nfs/dbraw/zinc/11/41/63/607114163.db2.gz RXCHUORATUVQQX-DTWKUNHWSA-N -1 3 319.325 1.397 20 5 DDBDHM C[C@@H](C[C@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235352 607114164 /nfs/dbraw/zinc/11/41/64/607114164.db2.gz RXCHUORATUVQQX-DTWKUNHWSA-N -1 3 319.325 1.397 20 5 DDBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cn[nH]c1 ZINC000824654964 607935320 /nfs/dbraw/zinc/93/53/20/607935320.db2.gz ANGCSLBLBVBDEZ-SSDOTTSWSA-N -1 3 300.282 1.671 20 5 DDBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cn[nH]c1 ZINC000824654964 607935321 /nfs/dbraw/zinc/93/53/21/607935321.db2.gz ANGCSLBLBVBDEZ-SSDOTTSWSA-N -1 3 300.282 1.671 20 5 DDBDHM C[C@]1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCOC1 ZINC000824838925 608244901 /nfs/dbraw/zinc/24/49/01/608244901.db2.gz XACYMIYZSXSSIK-ZDUSSCGKSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@]1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCOC1 ZINC000824838925 608244903 /nfs/dbraw/zinc/24/49/03/608244903.db2.gz XACYMIYZSXSSIK-ZDUSSCGKSA-N -1 3 304.310 1.756 20 5 DDBDHM CCc1nn(C)cc1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825762430 608297616 /nfs/dbraw/zinc/29/76/16/608297616.db2.gz APWKUHXOIZSKKE-UHFFFAOYSA-N -1 3 314.309 1.814 20 5 DDBDHM CCc1nn(C)cc1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825762430 608297617 /nfs/dbraw/zinc/29/76/17/608297617.db2.gz APWKUHXOIZSKKE-UHFFFAOYSA-N -1 3 314.309 1.814 20 5 DDBDHM CC(C)(C)c1ccc(NC(=O)[N-]OCC(N)=O)cc1[N+](=O)[O-] ZINC000794371847 699805369 /nfs/dbraw/zinc/80/53/69/699805369.db2.gz AJSZOBBUDFXULE-UHFFFAOYSA-N -1 3 310.310 1.431 20 5 DDBDHM CC(C)c1nccn1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770302011 701273995 /nfs/dbraw/zinc/27/39/95/701273995.db2.gz YSTYYGYNCFOBRL-UHFFFAOYSA-N -1 3 319.321 1.445 20 5 DDBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]c1C1CC1 ZINC000770330108 701274626 /nfs/dbraw/zinc/27/46/26/701274626.db2.gz UIGUJYKADJUMQD-UHFFFAOYSA-N -1 3 303.278 1.857 20 5 DDBDHM CO[C@@H]1COC[C@H]1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000843686450 702913767 /nfs/dbraw/zinc/91/37/67/702913767.db2.gz DEVUZOYLYPDALE-GHMZBOCLSA-N -1 3 316.260 1.217 20 5 DDBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(CC(=O)[O-])CC1 ZINC000844213943 702993375 /nfs/dbraw/zinc/99/33/75/702993375.db2.gz PMUVZTDIRYCTQS-UHFFFAOYSA-N -1 3 321.333 1.394 20 5 DDBDHM O=C([N-][C@@H]1CCOC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586142 703566049 /nfs/dbraw/zinc/56/60/49/703566049.db2.gz SJMQCYBHVCFRKU-MRVPVSSYSA-N -1 3 302.233 1.472 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2SCCS2)nc1 ZINC000851835543 703867277 /nfs/dbraw/zinc/86/72/77/703867277.db2.gz ZPHUNCQSGIUVQU-UHFFFAOYSA-N -1 3 321.405 1.074 20 5 DDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000854486234 704405967 /nfs/dbraw/zinc/40/59/67/704405967.db2.gz RHLXGRPBPCLXJH-UHFFFAOYSA-N -1 3 324.724 1.634 20 5 DDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cs1 ZINC000856747054 704536923 /nfs/dbraw/zinc/53/69/23/704536923.db2.gz BLEHTTCTJIOCEN-ZCFIWIBFSA-N -1 3 312.319 1.980 20 5 DDBDHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000874845357 705200261 /nfs/dbraw/zinc/20/02/61/705200261.db2.gz FTDHTUQWMIWBAJ-RYUDHWBXSA-N -1 3 305.334 1.609 20 5 DDBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OC[C@@H]1CCOC1 ZINC000935594441 715096782 /nfs/dbraw/zinc/09/67/82/715096782.db2.gz QUBFRMKAOSXBGO-SNVBAGLBSA-N -1 3 312.297 1.751 20 5 DDBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCC1 ZINC001059125915 740137136 /nfs/dbraw/zinc/13/71/36/740137136.db2.gz ZWAOBALJFDDSFW-MGCOHNPYSA-N -1 3 306.322 1.555 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1cn[n-]n1 ZINC001059880362 741851771 /nfs/dbraw/zinc/85/17/71/741851771.db2.gz FGUUWOFGWSFBTJ-OCAPTIKFSA-N -1 3 320.284 1.225 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001106674874 745891936 /nfs/dbraw/zinc/89/19/36/745891936.db2.gz WREWKBKAVHZBJB-UHFFFAOYSA-N -1 3 320.305 1.863 20 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/nfs/dbraw/zinc/61/94/79/775619479.db2.gz MDASVOMKRUNWOG-UHFFFAOYSA-N -1 3 319.321 1.198 20 5 DDBDHM COc1cc(C[NH2+]C[C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001326704275 861558978 /nfs/dbraw/zinc/55/89/78/861558978.db2.gz JDDHVJVHFKLWFK-LLVKDONJSA-N -1 3 324.333 1.900 20 5 DDBDHM CCOc1nnc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[n-]1 ZINC001152341752 863287552 /nfs/dbraw/zinc/28/75/52/863287552.db2.gz ACTXFHWSPAMZMI-UHFFFAOYSA-N -1 3 309.257 1.432 20 5 DDBDHM CCOc1nc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])n[n-]1 ZINC001152341752 863287563 /nfs/dbraw/zinc/28/75/63/863287563.db2.gz ACTXFHWSPAMZMI-UHFFFAOYSA-N -1 3 309.257 1.432 20 5 DDBDHM CCOc1n[n-]c(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])n1 ZINC001152341752 863287578 /nfs/dbraw/zinc/28/75/78/863287578.db2.gz ACTXFHWSPAMZMI-UHFFFAOYSA-N -1 3 309.257 1.432 20 5 DDBDHM CC(C)(CCC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)[N+](=O)[O-] ZINC001153976126 864276629 /nfs/dbraw/zinc/27/66/29/864276629.db2.gz LJTGKMAQQOQOPC-UHFFFAOYSA-N -1 3 320.349 1.737 20 5 DDBDHM COc1c([O-])ccc(CN2CCOC[C@@]23CCOC3)c1[N+](=O)[O-] ZINC001335052481 868029953 /nfs/dbraw/zinc/02/99/53/868029953.db2.gz ZKQFQDVXTUZJDY-HNNXBMFYSA-N -1 3 324.333 1.300 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1cccc2ncc([N+](=O)[O-])n21 ZINC001164394581 869174491 /nfs/dbraw/zinc/17/44/91/869174491.db2.gz GYAGMYNAUOVTOG-VIFPVBQESA-N -1 3 302.294 1.166 20 5 DDBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)nc1 ZINC001309563627 871581957 /nfs/dbraw/zinc/58/19/57/871581957.db2.gz DLNHZNNPSGYCFH-UHFFFAOYSA-N -1 3 322.346 1.214 20 5 DDBDHM C[C@H]1CCCN1c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001348018309 874336069 /nfs/dbraw/zinc/33/60/69/874336069.db2.gz SHNOVEXPQXQNBS-QMMMGPOBSA-N -1 3 304.310 1.480 20 5 DDBDHM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210779841 875527113 /nfs/dbraw/zinc/52/71/13/875527113.db2.gz UXIQMASEQNXTRX-ZCFIWIBFSA-N -1 3 322.364 1.052 20 5 DDBDHM CC1(C)CO[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001213609738 875996957 /nfs/dbraw/zinc/99/69/57/875996957.db2.gz HTCVYBURPGIMHJ-JTQLQIEISA-N -1 3 315.351 1.083 20 5 DDBDHM Cc1cc2[n-]c(O[C@@H]3CCS(=O)(=O)C3)nc2cc1[N+](=O)[O-] ZINC001228675088 883610220 /nfs/dbraw/zinc/61/02/20/883610220.db2.gz OAPLNFLZABSSCV-MRVPVSSYSA-N -1 3 311.319 1.345 20 5 DDBDHM Cc1[n-]c(=O)cc(O[C@@H]2[C@H]3C[C@@H]4C(=O)O[C@@H]2[C@H]4C3)c1[N+](=O)[O-] ZINC001228687716 883619307 /nfs/dbraw/zinc/61/93/07/883619307.db2.gz ZVDCJXZFYAXNBC-UGXVBNTDSA-N -1 3 306.274 1.333 20 5 DDBDHM COC(=O)c1cccc2nc(O[C@H](C[N+](=O)[O-])C3CC3)[n-]c21 ZINC001234044052 887586878 /nfs/dbraw/zinc/58/68/78/887586878.db2.gz INELJSZXOPHAKA-LLVKDONJSA-N -1 3 305.290 1.784 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234148076 887685010 /nfs/dbraw/zinc/68/50/10/887685010.db2.gz CUNIJGSZNBWMID-QMMMGPOBSA-N -1 3 320.305 1.372 20 5 DDBDHM CC(=O)c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1[O-] ZINC001294741461 915332459 /nfs/dbraw/zinc/33/24/59/915332459.db2.gz IKUKJFNMKOPZBO-UHFFFAOYSA-N -1 3 318.289 1.130 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)C(C)C)cc1C ZINC000092407015 185316326 /nfs/dbraw/zinc/31/63/26/185316326.db2.gz VOADMDNFJXNYGB-LLVKDONJSA-N -1 3 316.379 1.507 20 5 DDBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(C(N)=O)cs2)c1[N+](=O)[O-] ZINC000119231501 185711059 /nfs/dbraw/zinc/71/10/59/185711059.db2.gz RDFLIUCMHHKNES-UHFFFAOYSA-N -1 3 324.322 1.078 20 5 DDBDHM COc1cc(OCC(=O)[N-]c2cc(C)no2)ccc1[N+](=O)[O-] ZINC000066019895 352974855 /nfs/dbraw/zinc/97/48/55/352974855.db2.gz NSTDICLNOXVTJV-UHFFFAOYSA-N -1 3 307.262 1.917 20 5 DDBDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)ccc1[N+](=O)[O-] ZINC000588876161 354945210 /nfs/dbraw/zinc/94/52/10/354945210.db2.gz ZGIYOUZDIPGMBQ-UHFFFAOYSA-N -1 3 304.306 1.289 20 5 DDBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593552724 355922809 /nfs/dbraw/zinc/92/28/09/355922809.db2.gz ICKQAPFZDHEXNL-SNVBAGLBSA-N -1 3 317.367 1.067 20 5 DDBDHM CCSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595351921 356459848 /nfs/dbraw/zinc/45/98/48/356459848.db2.gz ZHKGPEXLVWITOD-UHFFFAOYSA-N -1 3 317.392 1.554 20 5 DDBDHM CSCCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601350017 358510803 /nfs/dbraw/zinc/51/08/03/358510803.db2.gz MFLHMMXRDUKOCR-UHFFFAOYSA-N -1 3 310.422 1.996 20 5 DDBDHM O=C1CCCN1[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596123902 356781570 /nfs/dbraw/zinc/78/15/70/356781570.db2.gz RUFGQEUSPVIYKA-SNVBAGLBSA-N -1 3 306.322 1.287 20 5 DDBDHM COC(=O)[C@@H]1CC12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596127650 356783763 /nfs/dbraw/zinc/78/37/63/356783763.db2.gz AZZKMRRCZMKBHN-VIFPVBQESA-N -1 3 307.306 1.475 20 5 DDBDHM COc1cccc(C(=O)[N-]c2nnc(C3CC3)n2C)c1[N+](=O)[O-] ZINC000597898397 357375716 /nfs/dbraw/zinc/37/57/16/357375716.db2.gz JBHWHLMRRCRGMV-UHFFFAOYSA-N -1 3 317.305 1.862 20 5 DDBDHM CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000597924445 357384560 /nfs/dbraw/zinc/38/45/60/357384560.db2.gz RTVFVAIGESZRFZ-JTQLQIEISA-N -1 3 307.350 1.903 20 5 DDBDHM C[C@@H](CN(C)c1ccc2cnccc2c1[N+](=O)[O-])c1nnn[n-]1 ZINC000599065882 357806845 /nfs/dbraw/zinc/80/68/45/357806845.db2.gz LNPAXVJBQAXLAI-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@@H](CN(C)c1ccc2cnccc2c1[N+](=O)[O-])c1nn[n-]n1 ZINC000599065882 357806846 /nfs/dbraw/zinc/80/68/46/357806846.db2.gz LNPAXVJBQAXLAI-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM CC(C)(C(=O)[O-])N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600675510 358279385 /nfs/dbraw/zinc/27/93/85/358279385.db2.gz TVWHHSASAKWIJX-UHFFFAOYSA-N -1 3 307.350 1.576 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COCC2(C)C)c([N+](=O)[O-])s1 ZINC000601431528 358550110 /nfs/dbraw/zinc/55/01/10/358550110.db2.gz PAOAPMJISNJMBA-SECBINFHSA-N -1 3 320.392 1.668 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000601450098 358558869 /nfs/dbraw/zinc/55/88/69/358558869.db2.gz IZHRSHKLDRFNPJ-UHFFFAOYSA-N -1 3 319.408 1.337 20 5 DDBDHM CCC[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000296076396 283523143 /nfs/dbraw/zinc/52/31/43/283523143.db2.gz DVMWQASIYGPBNQ-NSHDSACASA-N -1 3 316.379 1.997 20 5 DDBDHM CCC[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000285236782 218344294 /nfs/dbraw/zinc/34/42/94/218344294.db2.gz GKEMSRPIVYUXML-ZDUSSCGKSA-N -1 3 314.363 1.832 20 5 DDBDHM C[C@@H]1CCCCN1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269193918 207314657 /nfs/dbraw/zinc/31/46/57/207314657.db2.gz PBWGHVGIRHYRAX-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120623739 195203190 /nfs/dbraw/zinc/20/31/90/195203190.db2.gz HJKNBTNKUDJONU-JTQLQIEISA-N -1 3 322.770 1.543 20 5 DDBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352872006 285350465 /nfs/dbraw/zinc/35/04/65/285350465.db2.gz PTRAWPDYICFSHB-QWRGUYRKSA-N -1 3 316.379 1.670 20 5 DDBDHM COCCc1cc([O-])ccc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000444601577 533321503 /nfs/dbraw/zinc/32/15/03/533321503.db2.gz FEWIRGMWHXYQEP-UHFFFAOYSA-N -1 3 320.305 1.773 20 5 DDBDHM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ncccc1[O-] ZINC000359895641 306966582 /nfs/dbraw/zinc/96/65/82/306966582.db2.gz FCWVWSQFZVFHJU-UHFFFAOYSA-N -1 3 323.330 1.711 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCn1cccn1 ZINC000014238103 406873816 /nfs/dbraw/zinc/87/38/16/406873816.db2.gz ANWPMOKFFIYGID-UHFFFAOYSA-N -1 3 310.335 1.160 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000052004138 407146681 /nfs/dbraw/zinc/14/66/81/407146681.db2.gz VIKSITOCCXBULG-GHMZBOCLSA-N -1 3 318.326 1.316 20 5 DDBDHM COCCCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101575482 407311979 /nfs/dbraw/zinc/31/19/79/407311979.db2.gz IEXRMAZZXXMFAI-UHFFFAOYSA-N -1 3 316.379 1.998 20 5 DDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000160310522 286850760 /nfs/dbraw/zinc/85/07/60/286850760.db2.gz IAFOJFFSKDLOBY-JTQLQIEISA-N -1 3 302.352 1.607 20 5 DDBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000271265541 407605295 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/nfs/dbraw/zinc/75/23/29/736752329.db2.gz NMXJSYXNFRLDBW-UHFFFAOYSA-N -1 3 319.321 1.280 20 5 DDBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C\C1CC1 ZINC001105353290 738990469 /nfs/dbraw/zinc/99/04/69/738990469.db2.gz DGNXIPLWYWJFPI-WAYWQWQTSA-N -1 3 320.349 1.556 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncccc2F)nc1 ZINC001189946752 745061476 /nfs/dbraw/zinc/06/14/76/745061476.db2.gz NNSDLVDUEQNZLT-UHFFFAOYSA-N -1 3 312.282 1.002 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H]3C[C@@H]32)nc1 ZINC001194916739 746485871 /nfs/dbraw/zinc/48/58/71/746485871.db2.gz IQYYPRPZCIGFSK-HOSYDEDBSA-N -1 3 311.363 1.704 20 5 DDBDHM CC(=O)N1CCC(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001062198041 752823135 /nfs/dbraw/zinc/82/31/35/752823135.db2.gz TZYCCOLLFNJKOS-UHFFFAOYSA-N -1 3 308.338 1.390 20 5 DDBDHM CC(C)CC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057090844 762582307 /nfs/dbraw/zinc/58/23/07/762582307.db2.gz KMHDBLMCYNECLE-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM CN(C(=O)C1CC1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001058035626 766185753 /nfs/dbraw/zinc/18/57/53/766185753.db2.gz XQRZIFSMTHYPLA-UHFFFAOYSA-N -1 3 320.349 1.533 20 5 DDBDHM O=C(/C=C\C1CC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097164055 771652023 /nfs/dbraw/zinc/65/20/23/771652023.db2.gz CTCAICWFCDGVTP-XCPMARJRSA-N -1 3 318.333 1.721 20 5 DDBDHM CC(C)C(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091309971 772674964 /nfs/dbraw/zinc/67/49/64/772674964.db2.gz AMWRGGKDFDDYKR-AOOOYVTPSA-N -1 3 308.338 1.658 20 5 DDBDHM Cc1occc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093505489 774748914 /nfs/dbraw/zinc/74/89/14/774748914.db2.gz RKKMKAHXVAEGEN-UHFFFAOYSA-N -1 3 306.278 1.439 20 5 DDBDHM CN(CCNC(=O)C1(C2CC2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100189306 775790934 /nfs/dbraw/zinc/79/09/34/775790934.db2.gz CQKZVGAFOAZHAR-UHFFFAOYSA-N -1 3 320.349 1.438 20 5 DDBDHM Cc1conc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094564580 776037312 /nfs/dbraw/zinc/03/73/12/776037312.db2.gz BVBBTUZXTVZVGD-UHFFFAOYSA-N -1 3 321.293 1.224 20 5 DDBDHM COc1cc(F)c(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)c(F)c1 ZINC001128880973 848117396 /nfs/dbraw/zinc/11/73/96/848117396.db2.gz JRLIBAGOJZVZFB-UHFFFAOYSA-N -1 3 312.232 1.867 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001164382590 869170811 /nfs/dbraw/zinc/17/08/11/869170811.db2.gz PIJJLXQURAEJOP-SECBINFHSA-N -1 3 302.294 1.166 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)c1 ZINC001164397035 869177780 /nfs/dbraw/zinc/17/77/80/869177780.db2.gz XLIDDEIIBSGDTO-JTQLQIEISA-N -1 3 320.305 1.305 20 5 DDBDHM Cn1nc(C(C)(C)C)cc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001318828758 872291395 /nfs/dbraw/zinc/29/13/95/872291395.db2.gz PFSDKJLRTKXHOA-UHFFFAOYSA-N -1 3 319.321 1.979 20 5 DDBDHM CCOC(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C1CC1 ZINC001227695431 883136223 /nfs/dbraw/zinc/13/62/23/883136223.db2.gz NHZROPJBTUNBMH-NSHDSACASA-N -1 3 306.278 1.587 20 5 DDBDHM O=[N+]([O-])c1cc2[n-]c(OC[C@@H]3COCCO3)nc2cc1Cl ZINC001233500088 887043297 /nfs/dbraw/zinc/04/32/97/887043297.db2.gz PXPUIOUEIGNAFJ-ZETCQYMHSA-N -1 3 313.697 1.919 20 5 DDBDHM O=[N+]([O-])c1cc2nc(OC[C@@H]3COCCO3)[n-]c2cc1Cl ZINC001233500088 887043306 /nfs/dbraw/zinc/04/33/06/887043306.db2.gz PXPUIOUEIGNAFJ-ZETCQYMHSA-N -1 3 313.697 1.919 20 5 DDBDHM Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000076935650 185058169 /nfs/dbraw/zinc/05/81/69/185058169.db2.gz RYCQRPZCQHVKJK-SNVBAGLBSA-N -1 3 315.351 1.488 20 5 DDBDHM C[C@@H](CN(C)c1ncnc2sc([N+](=O)[O-])cc21)c1nnn[n-]1 ZINC000286894707 219214493 /nfs/dbraw/zinc/21/44/93/219214493.db2.gz OWAPPQZQXPYCBA-LURJTMIESA-N -1 3 320.338 1.353 20 5 DDBDHM C[C@@H](CN(C)c1ncnc2sc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000286894707 219214495 /nfs/dbraw/zinc/21/44/95/219214495.db2.gz OWAPPQZQXPYCBA-LURJTMIESA-N -1 3 320.338 1.353 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000063186605 352906327 /nfs/dbraw/zinc/90/63/27/352906327.db2.gz HUKZJGHSNZCEJQ-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CCC2CC2)c([N+](=O)[O-])c1 ZINC000173767917 198249666 /nfs/dbraw/zinc/24/96/66/198249666.db2.gz VWWWKTSIKXYVRK-UHFFFAOYSA-N -1 3 300.336 1.682 20 5 DDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c([O-])cccc1O ZINC000092126459 353845624 /nfs/dbraw/zinc/84/56/24/353845624.db2.gz OTPRQZTYNYOMTJ-UHFFFAOYSA-N -1 3 302.286 1.979 20 5 DDBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000121479912 354019224 /nfs/dbraw/zinc/01/92/24/354019224.db2.gz AQLTUSZMZJIGBS-NSHDSACASA-N -1 3 316.379 1.590 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000565039436 304039229 /nfs/dbraw/zinc/03/92/29/304039229.db2.gz ASUGAGRUZXXOHQ-UHFFFAOYSA-N -1 3 307.350 1.888 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000590590561 355122160 /nfs/dbraw/zinc/12/21/60/355122160.db2.gz ZGJIBRKUGQFGPN-SECBINFHSA-N -1 3 318.326 1.500 20 5 DDBDHM CC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591817 355123201 /nfs/dbraw/zinc/12/32/01/355123201.db2.gz YLSLLQKOLBDMQI-MRVPVSSYSA-N -1 3 306.315 1.092 20 5 DDBDHM O=[N+]([O-])c1cc2c(nc1[N-]c1cnn(CCO)c1)CCCC2 ZINC000591900874 355418762 /nfs/dbraw/zinc/41/87/62/355418762.db2.gz NSARUSAAMOSAIL-UHFFFAOYSA-N -1 3 303.322 1.801 20 5 DDBDHM Cc1cc([N+](=O)[O-])cnc1N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000592980648 355761637 /nfs/dbraw/zinc/76/16/37/355761637.db2.gz RKOKXDKTTPJSOV-UHFFFAOYSA-N -1 3 308.338 1.283 20 5 DDBDHM CC[C@H](C(=O)[O-])N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593331183 355856173 /nfs/dbraw/zinc/85/61/73/355856173.db2.gz DNQSVZUFUQGILE-SNVBAGLBSA-N -1 3 310.306 1.661 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)nc1 ZINC000593611428 355941796 /nfs/dbraw/zinc/94/17/96/355941796.db2.gz PWYULURAAUIRLX-JQWIXIFHSA-N -1 3 311.363 1.704 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCNC[C@H]1c1cccnc1 ZINC000593727840 355977363 /nfs/dbraw/zinc/97/73/63/355977363.db2.gz TXYVXJRPHXWMGH-INIZCTEOSA-N -1 3 314.345 1.842 20 5 DDBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000594418783 356204127 /nfs/dbraw/zinc/20/41/27/356204127.db2.gz LAWMUTVBSARCJC-NEPJUHHUSA-N -1 3 320.349 1.442 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2([C@@H](C)O)CC2)c1C ZINC000595362471 356465376 /nfs/dbraw/zinc/46/53/76/356465376.db2.gz YIJSXOUNYSJAAK-SNVBAGLBSA-N -1 3 314.363 1.403 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2([C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000595361776 356465651 /nfs/dbraw/zinc/46/56/51/356465651.db2.gz QWXWNCKLSLATMA-SNVBAGLBSA-N -1 3 314.363 1.403 20 5 DDBDHM CCn1nccc1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000596061738 356757940 /nfs/dbraw/zinc/75/79/40/356757940.db2.gz JJEUTSVOCBNXII-UHFFFAOYSA-N -1 3 306.322 1.815 20 5 DDBDHM CCC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1CCOC ZINC000596176188 356802827 /nfs/dbraw/zinc/80/28/27/356802827.db2.gz AJURIZSYQMSJPE-GFCCVEGCSA-N -1 3 324.381 1.633 20 5 DDBDHM Cc1cc(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c([N+](=O)[O-])s1 ZINC000596215015 356817661 /nfs/dbraw/zinc/81/76/61/356817661.db2.gz PJMKMJPQLKBCPN-LBPRGKRZSA-N -1 3 310.335 1.143 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCCC2)cc1[N+](=O)[O-] ZINC000186182693 199925120 /nfs/dbraw/zinc/92/51/20/199925120.db2.gz OBYWWKNOKUOEHT-UHFFFAOYSA-N -1 3 318.326 1.963 20 5 DDBDHM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000603143291 359432631 /nfs/dbraw/zinc/43/26/31/359432631.db2.gz SFFPBBSFUOOGHG-LBPRGKRZSA-N -1 3 322.365 1.498 20 5 DDBDHM O=[N+]([O-])c1cc2c(cc1CNCc1ncccc1[O-])OCCO2 ZINC000619432189 364006165 /nfs/dbraw/zinc/00/61/65/364006165.db2.gz FAMHOKVAYQIYRQ-UHFFFAOYSA-N -1 3 317.301 1.756 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccno1 ZINC000619495228 364038422 /nfs/dbraw/zinc/03/84/22/364038422.db2.gz CGPPZODBUUYAFZ-UHFFFAOYSA-N -1 3 313.291 1.070 20 5 DDBDHM Cc1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)co1 ZINC000619787393 364149640 /nfs/dbraw/zinc/14/96/40/364149640.db2.gz KGUQRNVQWYWLAY-UHFFFAOYSA-N -1 3 314.261 1.929 20 5 DDBDHM CCOc1cc(N2CCN(C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566298535 304141467 /nfs/dbraw/zinc/14/14/67/304141467.db2.gz ZZTXLJCTYUQPRK-LLVKDONJSA-N -1 3 323.349 1.446 20 5 DDBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000349984665 284126925 /nfs/dbraw/zinc/12/69/25/284126925.db2.gz OESRUVZKLDKICQ-BDAKNGLRSA-N -1 3 320.392 1.811 20 5 DDBDHM COc1ccc(OCCN2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262679797 203377404 /nfs/dbraw/zinc/37/74/04/203377404.db2.gz SGYKEFNCELQIAD-LLVKDONJSA-N -1 3 324.333 1.779 20 5 DDBDHM CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000334002648 249175849 /nfs/dbraw/zinc/17/58/49/249175849.db2.gz HLTLBQRCPKRVJT-GXFFZTMASA-N -1 3 307.350 1.759 20 5 DDBDHM COc1ccc(CN[C@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000284380580 218004085 /nfs/dbraw/zinc/00/40/85/218004085.db2.gz YEVBVEFWVRTFMP-CYBMUJFWSA-N -1 3 312.347 1.653 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CN(C)C ZINC000286521632 219034993 /nfs/dbraw/zinc/03/49/93/219034993.db2.gz AYTJHSWDGBCFDV-JTQLQIEISA-N -1 3 301.368 1.132 20 5 DDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000157895792 197224856 /nfs/dbraw/zinc/22/48/56/197224856.db2.gz YCHADQZISCKSRB-JTQLQIEISA-N -1 3 302.352 1.261 20 5 DDBDHM C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000076381099 406966263 /nfs/dbraw/zinc/96/62/63/406966263.db2.gz DRIUFUUYFCQCHA-NSHDSACASA-N -1 3 307.350 1.762 20 5 DDBDHM CCn1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000047211701 407071389 /nfs/dbraw/zinc/07/13/89/407071389.db2.gz FDDBPQCVDYYNQA-UHFFFAOYSA-N -1 3 323.330 1.577 20 5 DDBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101577387 407311837 /nfs/dbraw/zinc/31/18/37/407311837.db2.gz LCSDOEKORNWVKP-SNVBAGLBSA-N -1 3 302.352 1.607 20 5 DDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000123668581 407335565 /nfs/dbraw/zinc/33/55/65/407335565.db2.gz STMRQNKKGUFKPK-SSDOTTSWSA-N -1 3 308.743 1.216 20 5 DDBDHM C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000153818783 407911679 /nfs/dbraw/zinc/91/16/79/407911679.db2.gz BBNICOMBQOIIEM-WDEREUQCSA-N -1 3 307.350 1.855 20 5 DDBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000272476350 407940059 /nfs/dbraw/zinc/94/00/59/407940059.db2.gz NXXCETDKCWWWIH-UHFFFAOYSA-N -1 3 304.310 1.327 20 5 DDBDHM COCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119260722 408024984 /nfs/dbraw/zinc/02/49/84/408024984.db2.gz NISXBQBBTPGWIA-UHFFFAOYSA-N -1 3 302.352 1.526 20 5 DDBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1=CCN(C)CC1 ZINC000273033214 408026316 /nfs/dbraw/zinc/02/63/16/408026316.db2.gz VEVGNNDGSDMLMS-JTQLQIEISA-N -1 3 305.334 1.681 20 5 DDBDHM COC[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119286253 408032206 /nfs/dbraw/zinc/03/22/06/408032206.db2.gz AOBSVBYKYLVYHM-VIFPVBQESA-N -1 3 302.352 1.525 20 5 DDBDHM CN(C)C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155309048 408148903 /nfs/dbraw/zinc/14/89/03/408148903.db2.gz DUUBILYMPUVNEQ-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000121525700 408233411 /nfs/dbraw/zinc/23/34/11/408233411.db2.gz VJVACLGBWNQTEI-UWVGGRQHSA-N -1 3 300.336 1.359 20 5 DDBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000191061516 408367354 /nfs/dbraw/zinc/36/73/54/408367354.db2.gz RZCFJFPKMCTBQJ-SCZZXKLOSA-N -1 3 318.326 1.580 20 5 DDBDHM CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)C1 ZINC000293926944 409207375 /nfs/dbraw/zinc/20/73/75/409207375.db2.gz IXHVNKBWNPQNOV-MRXNPFEDSA-N -1 3 319.361 1.858 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000355321270 410440931 /nfs/dbraw/zinc/44/09/31/410440931.db2.gz HQMDTQUDISCTKC-WDEREUQCSA-N -1 3 314.363 1.607 20 5 DDBDHM COCc1nnc(Sc2ncnc3cccc([N+](=O)[O-])c32)[n-]1 ZINC000347411537 410529590 /nfs/dbraw/zinc/52/95/90/410529590.db2.gz QWEAJHFRBADTHE-UHFFFAOYSA-N -1 3 318.318 1.954 20 5 DDBDHM COCc1nc(Sc2ncnc3cccc([N+](=O)[O-])c32)n[n-]1 ZINC000347411537 410529597 /nfs/dbraw/zinc/52/95/97/410529597.db2.gz QWEAJHFRBADTHE-UHFFFAOYSA-N -1 3 318.318 1.954 20 5 DDBDHM CS[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330460759 410709045 /nfs/dbraw/zinc/70/90/45/410709045.db2.gz VZQMDXVCVOLYNS-UONOGXRCSA-N -1 3 311.407 1.778 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ncccc1[O-] ZINC000360020789 411004540 /nfs/dbraw/zinc/00/45/40/411004540.db2.gz BXLSLJCXQSLTNK-UHFFFAOYSA-N -1 3 323.330 1.315 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000129194249 196027161 /nfs/dbraw/zinc/02/71/61/196027161.db2.gz FEVZGFGMTIHJKP-LLVKDONJSA-N -1 3 300.336 1.193 20 5 DDBDHM Cc1cc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366300808 418454159 /nfs/dbraw/zinc/45/41/59/418454159.db2.gz DFMOUHOMBMYOFI-MRVPVSSYSA-N -1 3 317.305 1.014 20 5 DDBDHM Cc1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366300808 418454161 /nfs/dbraw/zinc/45/41/61/418454161.db2.gz DFMOUHOMBMYOFI-MRVPVSSYSA-N -1 3 317.305 1.014 20 5 DDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000360721792 418500536 /nfs/dbraw/zinc/50/05/36/418500536.db2.gz LUAGDOGGHSYYOE-UHFFFAOYSA-N -1 3 302.290 1.627 20 5 DDBDHM O=C([N-]c1nncs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342138079 418627085 /nfs/dbraw/zinc/62/70/85/418627085.db2.gz XMTBNPLKTZQDIT-UHFFFAOYSA-N -1 3 316.302 1.884 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000425238846 228396728 /nfs/dbraw/zinc/39/67/28/228396728.db2.gz MZGVBYALBBJUMO-AYMMMOKOSA-N -1 3 300.311 1.811 20 5 DDBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000354486787 306776544 /nfs/dbraw/zinc/77/65/44/306776544.db2.gz HBAOBYZKLSEEKD-UHFFFAOYSA-N -1 3 300.278 1.481 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(CC(=O)[O-])CC2)n1 ZINC000515486165 421505331 /nfs/dbraw/zinc/50/53/31/421505331.db2.gz HYKIJSZKOVABAT-UHFFFAOYSA-N -1 3 308.338 1.203 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc[nH]c1=O ZINC000570840842 421672218 /nfs/dbraw/zinc/67/22/18/421672218.db2.gz IUFHPWOJSCJTBM-UHFFFAOYSA-N -1 3 309.303 1.805 20 5 DDBDHM C[C@@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)c1nnn[n-]1 ZINC000575041871 422241848 /nfs/dbraw/zinc/24/18/48/422241848.db2.gz NLNBPFFECZRHTI-VIFPVBQESA-N -1 3 317.353 1.622 20 5 DDBDHM C[C@@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)c1nn[n-]n1 ZINC000575041871 422241853 /nfs/dbraw/zinc/24/18/53/422241853.db2.gz NLNBPFFECZRHTI-VIFPVBQESA-N -1 3 317.353 1.622 20 5 DDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2Cl)OCO3)n1 ZINC000342175349 271330619 /nfs/dbraw/zinc/33/06/19/271330619.db2.gz ZEVRAELOALAKBF-UHFFFAOYSA-N -1 3 324.680 1.963 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2cn(C)nn2)c(C)c([N+](=O)[O-])c1 ZINC000342234424 271348204 /nfs/dbraw/zinc/34/82/04/271348204.db2.gz PMBMIVGKWIDRRU-UHFFFAOYSA-N -1 3 319.277 1.071 20 5 DDBDHM C[C@@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130406062 281380130 /nfs/dbraw/zinc/38/01/30/281380130.db2.gz OYYWBJILLOYHFM-LLVKDONJSA-N -1 3 307.350 1.762 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272585955 290156215 /nfs/dbraw/zinc/15/62/15/290156215.db2.gz HHLFLHAIGOMJFZ-ZWNOBZJWSA-N -1 3 305.334 1.467 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190184926 293444775 /nfs/dbraw/zinc/44/47/75/293444775.db2.gz VXBYPAVIDJPVQI-JTQLQIEISA-N -1 3 302.352 1.525 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000178656300 302048710 /nfs/dbraw/zinc/04/87/10/302048710.db2.gz MXLPGFXZMBXNTB-MWLCHTKSSA-N -1 3 300.336 1.095 20 5 DDBDHM COC(=O)c1ccnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445002180 534299562 /nfs/dbraw/zinc/29/95/62/534299562.db2.gz ZJEMBXGIKBYHOY-UHFFFAOYSA-N -1 3 318.245 1.129 20 5 DDBDHM Cn1[n-]c([C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)nc1=N ZINC000331371800 534666933 /nfs/dbraw/zinc/66/69/33/534666933.db2.gz BFUOFQSOAFABHD-VIFPVBQESA-N -1 3 308.367 1.534 20 5 DDBDHM CC(C)Oc1cc(C(=O)[N-]c2ncn(C)n2)ccc1[N+](=O)[O-] ZINC000412367710 528103216 /nfs/dbraw/zinc/10/32/16/528103216.db2.gz UBGCGIPHCHMHNQ-UHFFFAOYSA-N -1 3 305.294 1.763 20 5 DDBDHM CC1(C)CCCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444624992 528935878 /nfs/dbraw/zinc/93/58/78/528935878.db2.gz YKPXEVWHWBEMJG-UHFFFAOYSA-N -1 3 322.365 1.547 20 5 DDBDHM C[C@H](O)C[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736142573 598972600 /nfs/dbraw/zinc/97/26/00/598972600.db2.gz FKEWGAMBRFVODI-IUCAKERBSA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@H](O)C[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736142573 598972602 /nfs/dbraw/zinc/97/26/02/598972602.db2.gz FKEWGAMBRFVODI-IUCAKERBSA-N -1 3 306.326 1.594 20 5 DDBDHM CCc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)on1 ZINC000736677307 599044303 /nfs/dbraw/zinc/04/43/03/599044303.db2.gz WJVABGKDYCAFMI-UHFFFAOYSA-N -1 3 316.281 1.332 20 5 DDBDHM CCc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)on1 ZINC000736677307 599044306 /nfs/dbraw/zinc/04/43/06/599044306.db2.gz WJVABGKDYCAFMI-UHFFFAOYSA-N -1 3 316.281 1.332 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cccc(-c2nnn[n-]2)c1 ZINC000822271176 607304764 /nfs/dbraw/zinc/30/47/64/607304764.db2.gz PKQFUBABLCYIFT-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cccc(-c2nn[n-]n2)c1 ZINC000822271176 607304765 /nfs/dbraw/zinc/30/47/65/607304765.db2.gz PKQFUBABLCYIFT-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000819780858 597677903 /nfs/dbraw/zinc/67/79/03/597677903.db2.gz NXOYWKPCZYGSFN-JTQLQIEISA-N -1 3 309.322 1.006 20 5 DDBDHM CN(C[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736791995 598468539 /nfs/dbraw/zinc/46/85/39/598468539.db2.gz PRIRMUZJQDWJHB-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CN(C[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736791995 598468540 /nfs/dbraw/zinc/46/85/40/598468540.db2.gz PRIRMUZJQDWJHB-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM C[C@@H](O)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824698969 607738195 /nfs/dbraw/zinc/73/81/95/607738195.db2.gz OWHWHPATZMQMRW-NXEZZACHSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@@H](O)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824698969 607738196 /nfs/dbraw/zinc/73/81/96/607738196.db2.gz OWHWHPATZMQMRW-NXEZZACHSA-N -1 3 318.337 1.515 20 5 DDBDHM O=C([O-])NC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834220576 606028825 /nfs/dbraw/zinc/02/88/25/606028825.db2.gz OLZGOWUYKLYDCD-BXUZGUMPSA-N -1 3 323.349 1.608 20 5 DDBDHM CCCCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821056176 606162990 /nfs/dbraw/zinc/16/29/90/606162990.db2.gz NUSNUMWOULADCW-UHFFFAOYSA-N -1 3 320.353 1.764 20 5 DDBDHM CCCCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821056176 606162992 /nfs/dbraw/zinc/16/29/92/606162992.db2.gz NUSNUMWOULADCW-UHFFFAOYSA-N -1 3 320.353 1.764 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccncc1 ZINC000823629996 606822789 /nfs/dbraw/zinc/82/27/89/606822789.db2.gz PBAGDTMMARLYSI-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccncc1 ZINC000823629996 606822788 /nfs/dbraw/zinc/82/27/88/606822788.db2.gz PBAGDTMMARLYSI-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826330251 608397675 /nfs/dbraw/zinc/39/76/75/608397675.db2.gz LTMDBLZBQAJJTE-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826330251 608397677 /nfs/dbraw/zinc/39/76/77/608397677.db2.gz LTMDBLZBQAJJTE-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM CCCO[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000314689587 698691130 /nfs/dbraw/zinc/69/11/30/698691130.db2.gz FSKNGGLQGUPKCM-UHFFFAOYSA-N -1 3 304.100 1.824 20 5 DDBDHM CC(C)N1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000737640389 699743048 /nfs/dbraw/zinc/74/30/48/699743048.db2.gz LWCWYDDPYVZHSX-UHFFFAOYSA-N -1 3 308.338 1.609 20 5 DDBDHM CC(COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)[N+](=O)[O-] ZINC000813111843 702297089 /nfs/dbraw/zinc/29/70/89/702297089.db2.gz ATZWGGJCULMCCP-SSDOTTSWSA-N -1 3 323.330 1.044 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CO1 ZINC000848593296 703567188 /nfs/dbraw/zinc/56/71/88/703567188.db2.gz DIQZMYVIWCYNGW-RKDXNWHRSA-N -1 3 316.260 1.860 20 5 DDBDHM O=c1[n-]ccc(NC[C@]23OCCC[C@H]2C3(F)F)c1[N+](=O)[O-] ZINC000853846565 704325294 /nfs/dbraw/zinc/32/52/94/704325294.db2.gz QPYGBZLQINNYKJ-KCJUWKMLSA-N -1 3 301.249 1.922 20 5 DDBDHM COc1cccc(S([O-])=CC(=O)OC[C@H](C)[N+](=O)[O-])c1 ZINC000821166632 704377758 /nfs/dbraw/zinc/37/77/58/704377758.db2.gz FGIWNKVPRSZKKT-LXGOIASLSA-N -1 3 301.320 1.011 20 5 DDBDHM CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000874833448 705191470 /nfs/dbraw/zinc/19/14/70/705191470.db2.gz NAEDGAHNPJUHDJ-OLZOCXBDSA-N -1 3 305.334 1.609 20 5 DDBDHM Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC000891470553 710210501 /nfs/dbraw/zinc/21/05/01/710210501.db2.gz OMXJIALMDORFRC-UHFFFAOYSA-N -1 3 315.333 1.725 20 5 DDBDHM O=c1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc[n-]1 ZINC000891859788 710311570 /nfs/dbraw/zinc/31/15/70/710311570.db2.gz NYGKLCADCNZXSZ-UHFFFAOYSA-N -1 3 301.306 1.417 20 5 DDBDHM COc1c([O-])ccc(CN(CCO)CC(F)F)c1[N+](=O)[O-] ZINC000894162186 710994112 /nfs/dbraw/zinc/99/41/12/710994112.db2.gz OYOKREFQQYAXSJ-UHFFFAOYSA-N -1 3 306.265 1.368 20 5 DDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001209936400 732852472 /nfs/dbraw/zinc/85/24/72/732852472.db2.gz JKHRASNOFNYFAT-IONNQARKSA-N -1 3 322.408 1.650 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001059880627 741854012 /nfs/dbraw/zinc/85/40/12/741854012.db2.gz ULECJNXJEMPXFJ-DTORHVGOSA-N -1 3 302.294 1.086 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccon1 ZINC001106691474 745909516 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CSCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119370363 354004921 /nfs/dbraw/zinc/00/49/21/354004921.db2.gz QHPVFCYGTLNVKH-UHFFFAOYSA-N -1 3 304.393 1.853 20 5 DDBDHM O=C([N-]c1nnc2nc[nH]n12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590379747 355079058 /nfs/dbraw/zinc/07/90/58/355079058.db2.gz OSGZCMHXQDZUNQ-UHFFFAOYSA-N -1 3 307.657 1.266 20 5 DDBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000595355724 356462261 /nfs/dbraw/zinc/46/22/61/356462261.db2.gz QPCNSTOIFMFHSH-SECBINFHSA-N -1 3 319.408 1.419 20 5 DDBDHM CCC1(CC)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[S@]1=O ZINC000596193560 356808439 /nfs/dbraw/zinc/80/84/39/356808439.db2.gz FYVCOYNAJUCLHH-OAQYLSRUSA-N -1 3 313.379 1.823 20 5 DDBDHM CC(=O)NCC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596244586 356830750 /nfs/dbraw/zinc/83/07/50/356830750.db2.gz SAMTXKMLDUMZIR-NSHDSACASA-N -1 3 308.338 1.438 20 5 DDBDHM COCc1n[n-]c(CNc2nc3sccn3c2[N+](=O)[O-])n1 ZINC000596437397 356881327 /nfs/dbraw/zinc/88/13/27/356881327.db2.gz 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1.905 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000352343720 284979522 /nfs/dbraw/zinc/97/95/22/284979522.db2.gz AFMPTDBQXRKHHS-SVRRBLITSA-N -1 3 322.433 1.995 20 5 DDBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120745788 195228685 /nfs/dbraw/zinc/22/86/85/195228685.db2.gz GHZGPAFIFWBTPW-DTWKUNHWSA-N -1 3 320.342 1.419 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O ZINC000120809801 195242105 /nfs/dbraw/zinc/24/21/05/195242105.db2.gz HGUZVIQWOGPCFR-MWLCHTKSSA-N -1 3 316.379 1.589 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC(O)CC1 ZINC000035101482 406966845 /nfs/dbraw/zinc/96/68/45/406966845.db2.gz CLBNZLBYZAANBH-UHFFFAOYSA-N -1 3 300.336 1.177 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000129839649 407630801 /nfs/dbraw/zinc/63/08/01/407630801.db2.gz NQJQCPUNRITXHD-QMMMGPOBSA-N -1 3 320.309 1.134 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000129839649 407630804 /nfs/dbraw/zinc/63/08/04/407630804.db2.gz NQJQCPUNRITXHD-QMMMGPOBSA-N -1 3 320.309 1.134 20 5 DDBDHM CN(C)C[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187150075 407825288 /nfs/dbraw/zinc/82/52/88/407825288.db2.gz HVMVWOGTLZJULR-NSHDSACASA-N -1 3 308.338 1.252 20 5 DDBDHM CCN1CCCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272542557 407970790 /nfs/dbraw/zinc/97/07/90/407970790.db2.gz OBFZMDZAHAUTDN-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCN(C)C)cc1[N+](=O)[O-] ZINC000136441071 408106984 /nfs/dbraw/zinc/10/69/84/408106984.db2.gz NTEZNCCLIABDMN-UHFFFAOYSA-N -1 3 321.786 1.397 20 5 DDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189983529 408141997 /nfs/dbraw/zinc/14/19/97/408141997.db2.gz XEUVUIANAQSQPI-NSHDSACASA-N -1 3 316.379 1.915 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CCOC2)c1C ZINC000158504728 408342908 /nfs/dbraw/zinc/34/29/08/408342908.db2.gz NFGQRNCVXUBOCI-ZDUSSCGKSA-N -1 3 314.363 1.669 20 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/nfs/dbraw/zinc/68/28/44/408682844.db2.gz FUDLITHVHXBQLD-GFCCVEGCSA-N -1 3 307.350 1.857 20 5 DDBDHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000228203165 163340149 /nfs/dbraw/zinc/34/01/49/163340149.db2.gz DWZCALZVLCNWQS-HTQZYQBOSA-N -1 3 322.770 1.686 20 5 DDBDHM Cc1[nH]nc(C(=O)[N-]c2ncc(C(C)(C)O)s2)c1[N+](=O)[O-] ZINC000290443786 409403220 /nfs/dbraw/zinc/40/32/20/409403220.db2.gz CVJPBKBIROOASW-UHFFFAOYSA-N -1 3 311.323 1.563 20 5 DDBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295290980 409417615 /nfs/dbraw/zinc/41/76/15/409417615.db2.gz NMIBAVHKMRMJRQ-UHFFFAOYSA-N -1 3 320.342 1.421 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000344841288 409525007 /nfs/dbraw/zinc/52/50/07/409525007.db2.gz CSNJWCMXVXZOHA-SECBINFHSA-N -1 3 322.408 1.508 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000342507666 409687249 /nfs/dbraw/zinc/68/72/49/409687249.db2.gz GZQBRTXBHYSFSX-VIFPVBQESA-N -1 3 320.392 1.812 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccno2)c1C ZINC000349508108 409855623 /nfs/dbraw/zinc/85/56/23/409855623.db2.gz QNSKHTLDWGYZJH-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343962749 410854695 /nfs/dbraw/zinc/85/46/95/410854695.db2.gz CNBDLTGLTFYFNN-GHMZBOCLSA-N -1 3 313.379 1.356 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000343988605 410869378 /nfs/dbraw/zinc/86/93/78/410869378.db2.gz BSGJLYLMTOTKNB-NSHDSACASA-N -1 3 314.363 1.608 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000359986378 410986555 /nfs/dbraw/zinc/98/65/55/410986555.db2.gz KEGMKTVNOXDJRZ-GHMZBOCLSA-N -1 3 316.379 1.649 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000132488580 196259669 /nfs/dbraw/zinc/25/96/69/196259669.db2.gz JCVNCRAKZIMDNJ-SECBINFHSA-N -1 3 318.326 1.500 20 5 DDBDHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367113668 418560891 /nfs/dbraw/zinc/56/08/91/418560891.db2.gz KUQHLSHCEFEXFG-JLLWLGSASA-N -1 3 321.333 1.691 20 5 DDBDHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000291446630 222393654 /nfs/dbraw/zinc/39/36/54/222393654.db2.gz BUWBQNCBGNUBLQ-SECBINFHSA-N -1 3 301.249 1.067 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C(F)F)c1C ZINC000435633494 420269905 /nfs/dbraw/zinc/26/99/05/420269905.db2.gz CKDCOVQLWACFKX-VIFPVBQESA-N -1 3 324.305 1.116 20 5 DDBDHM COC(=O)c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1[O-] ZINC000436887815 420380011 /nfs/dbraw/zinc/38/00/11/420380011.db2.gz PTQPQBXYIKYJSL-UHFFFAOYSA-N -1 3 320.261 1.073 20 5 DDBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000416526376 420407800 /nfs/dbraw/zinc/40/78/00/420407800.db2.gz KLWKWEKYMZSDCM-PHIMTYICSA-N -1 3 314.363 1.749 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccn1C ZINC000439240949 420500825 /nfs/dbraw/zinc/50/08/25/420500825.db2.gz XPLUVJFWJMTNIY-UHFFFAOYSA-N -1 3 309.347 1.720 20 5 DDBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000457134606 420625825 /nfs/dbraw/zinc/62/58/25/420625825.db2.gz BQEFKKZCLTXKFD-UHFFFAOYSA-N -1 3 305.269 1.914 20 5 DDBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OC1CCOCC1 ZINC000492731440 420643573 /nfs/dbraw/zinc/64/35/73/420643573.db2.gz DSYNRWYGDGZLEI-RQOWECAXSA-N -1 3 310.281 1.974 20 5 DDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)n1 ZINC000574403381 422104128 /nfs/dbraw/zinc/10/41/28/422104128.db2.gz DPAAFSBVIDMYSH-UHFFFAOYSA-N -1 3 306.322 1.727 20 5 DDBDHM Cc1cc([N-]c2ccn(CC(=O)N(C)C)n2)c([N+](=O)[O-])s1 ZINC000596137017 422367175 /nfs/dbraw/zinc/36/71/75/422367175.db2.gz NVKDLIIOZHJORP-UHFFFAOYSA-N -1 3 309.351 1.993 20 5 DDBDHM O=C(Nc1cccc2c1OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361981671 299977218 /nfs/dbraw/zinc/97/72/18/299977218.db2.gz HHVNFNHUZCDRQM-UHFFFAOYSA-N -1 3 317.257 1.719 20 5 DDBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000398515870 302358961 /nfs/dbraw/zinc/35/89/61/302358961.db2.gz AOQPMKNUJFSJMW-NSHDSACASA-N -1 3 316.379 1.733 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C)C2)cc1C ZINC000570923812 308185631 /nfs/dbraw/zinc/18/56/31/308185631.db2.gz UEHQEAZCTJUVCQ-QWRGUYRKSA-N -1 3 314.363 1.667 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(CCO)CC2)c1[N+](=O)[O-] ZINC000431597496 533705152 /nfs/dbraw/zinc/70/51/52/533705152.db2.gz UFIRZCZRYSQHFX-UHFFFAOYSA-N -1 3 314.363 1.405 20 5 DDBDHM COCCOCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821693147 599316891 /nfs/dbraw/zinc/31/68/91/599316891.db2.gz UGQBSQRJQIPBPG-UHFFFAOYSA-N -1 3 322.325 1.240 20 5 DDBDHM COCCOCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821693147 599316894 /nfs/dbraw/zinc/31/68/94/599316894.db2.gz UGQBSQRJQIPBPG-UHFFFAOYSA-N -1 3 322.325 1.240 20 5 DDBDHM COc1ccc(Cn2cc(C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821827499 607330931 /nfs/dbraw/zinc/33/09/31/607330931.db2.gz DBPBHYSCDDKMHX-UHFFFAOYSA-N -1 3 314.305 1.942 20 5 DDBDHM COc1ccc(Cn2cc(C)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821827499 607330932 /nfs/dbraw/zinc/33/09/32/607330932.db2.gz DBPBHYSCDDKMHX-UHFFFAOYSA-N -1 3 314.305 1.942 20 5 DDBDHM O=[N+]([O-])c1cccc(OCCn2cc(-c3nnn[n-]3)cn2)c1 ZINC000738369267 599341172 /nfs/dbraw/zinc/34/11/72/599341172.db2.gz JTSBAIGHWMMLDJ-UHFFFAOYSA-N -1 3 301.266 1.050 20 5 DDBDHM O=[N+]([O-])c1cccc(OCCn2cc(-c3nn[n-]n3)cn2)c1 ZINC000738369267 599341175 /nfs/dbraw/zinc/34/11/75/599341175.db2.gz JTSBAIGHWMMLDJ-UHFFFAOYSA-N -1 3 301.266 1.050 20 5 DDBDHM CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830593 607435711 /nfs/dbraw/zinc/43/57/11/607435711.db2.gz XMONEKBEVNJJPZ-UHFFFAOYSA-N -1 3 314.261 1.645 20 5 DDBDHM CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830593 607435713 /nfs/dbraw/zinc/43/57/13/607435713.db2.gz XMONEKBEVNJJPZ-UHFFFAOYSA-N -1 3 314.261 1.645 20 5 DDBDHM Cc1cc(N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000833746058 605050317 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DDBDHM COC(C)(C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821672712 606950756 /nfs/dbraw/zinc/95/07/56/606950756.db2.gz VIWAQBPDLWUDKW-UHFFFAOYSA-N -1 3 307.314 1.031 20 5 DDBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000826499964 607937817 /nfs/dbraw/zinc/93/78/17/607937817.db2.gz GMXLQCNJLFWFQP-UHFFFAOYSA-N -1 3 323.316 1.733 20 5 DDBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000826499964 607937818 /nfs/dbraw/zinc/93/78/18/607937818.db2.gz GMXLQCNJLFWFQP-UHFFFAOYSA-N -1 3 323.316 1.733 20 5 DDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826443383 609198324 /nfs/dbraw/zinc/19/83/24/609198324.db2.gz MTPKOBMXBGBLPT-UHFFFAOYSA-N -1 3 313.277 1.033 20 5 DDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826443383 609198326 /nfs/dbraw/zinc/19/83/26/609198326.db2.gz MTPKOBMXBGBLPT-UHFFFAOYSA-N -1 3 313.277 1.033 20 5 DDBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1F ZINC000824962647 609319121 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COc1cc(C(=O)[N-]n2ccccc2=O)cc([N+](=O)[O-])c1C ZINC000792416659 699695989 /nfs/dbraw/zinc/69/59/89/699695989.db2.gz BJRCXCSZRXVTLY-UHFFFAOYSA-N -1 3 303.274 1.457 20 5 DDBDHM O=c1[n-]ccc(NC[C@@H]2COC3(CCOCC3)O2)c1[N+](=O)[O-] ZINC000853469363 704244687 /nfs/dbraw/zinc/24/46/87/704244687.db2.gz OQUCDCCYCCVGFK-SECBINFHSA-N -1 3 311.294 1.029 20 5 DDBDHM C[C@H](CC[S@@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248533 704246035 /nfs/dbraw/zinc/24/60/35/704246035.db2.gz JLONBCQXNQKPCC-CWMRNNLJSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CC[S@@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820248533 704246036 /nfs/dbraw/zinc/24/60/36/704246036.db2.gz JLONBCQXNQKPCC-CWMRNNLJSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CC[S@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248534 704246098 /nfs/dbraw/zinc/24/60/98/704246098.db2.gz JLONBCQXNQKPCC-PJLCYMMNSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CC[S@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820248534 704246100 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20 5 DDBDHM CC1(C)CCN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000890075260 709735844 /nfs/dbraw/zinc/73/58/44/709735844.db2.gz FMVKJNBQJFTPEK-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCOC12CCOCC2 ZINC000934402024 714811786 /nfs/dbraw/zinc/81/17/86/714811786.db2.gz MLJIJWKZHCHWGW-AWEZNQCLSA-N -1 3 308.334 1.728 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001197598323 747216902 /nfs/dbraw/zinc/21/69/02/747216902.db2.gz JGBWEIVVQVNPEO-SNVBAGLBSA-N -1 3 319.321 1.537 20 5 DDBDHM Cc1ccccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093468570 774704647 /nfs/dbraw/zinc/70/46/47/774704647.db2.gz DDHAKTQCURQLNF-UHFFFAOYSA-N -1 3 316.317 1.846 20 5 DDBDHM CN(CCNC(=O)CC1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099936492 775443119 /nfs/dbraw/zinc/44/31/19/775443119.db2.gz VKOXEUAQFXQKAA-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM NCc1nccnc1[N-]c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001171444462 775847867 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CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1(=O)=O ZINC001307223488 871413429 /nfs/dbraw/zinc/41/34/29/871413429.db2.gz QCODQKHTQXQMDX-MRVPVSSYSA-N -1 3 315.351 1.463 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C2CCC(=O)CC2)c([N+](=O)[O-])s1 ZINC001213570440 875980461 /nfs/dbraw/zinc/98/04/61/875980461.db2.gz NJQHCTFGPQSCBN-UHFFFAOYSA-N -1 3 318.376 1.755 20 5 DDBDHM COC(=O)[C@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227691081 883133007 /nfs/dbraw/zinc/13/30/07/883133007.db2.gz MIYHCALEAQTJEO-DTORHVGOSA-N -1 3 320.305 1.977 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCOCC2)c(F)c1 ZINC000079280252 185163074 /nfs/dbraw/zinc/16/30/74/185163074.db2.gz OPXLFTCHAUZXQG-UHFFFAOYSA-N -1 3 304.299 1.191 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000451985989 231259233 /nfs/dbraw/zinc/25/92/33/231259233.db2.gz XCUCOLBKPWXUHW-SECBINFHSA-N -1 3 320.392 1.668 20 5 DDBDHM CCC(O)(CC)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000087041340 282314017 /nfs/dbraw/zinc/31/40/17/282314017.db2.gz WDWHIJQACFZAJJ-UHFFFAOYSA-N -1 3 316.379 1.733 20 5 DDBDHM O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130486132 354093759 /nfs/dbraw/zinc/09/37/59/354093759.db2.gz TWQVGZNRLRZJFI-LLVKDONJSA-N -1 3 305.334 1.515 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCO2)c([N+](=O)[O-])s1 ZINC000601298713 358484852 /nfs/dbraw/zinc/48/48/52/358484852.db2.gz RSHXQCOMDSVONM-SECBINFHSA-N -1 3 320.392 1.812 20 5 DDBDHM C[C@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])s2)NC(=O)[N-]C1=O ZINC000588073572 354899576 /nfs/dbraw/zinc/89/95/76/354899576.db2.gz WOBDWOQTOBVLBB-ISVAXAHUSA-N -1 3 324.362 1.613 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000592106670 355501087 /nfs/dbraw/zinc/50/10/87/355501087.db2.gz LBIAELZBCKACSY-RKDXNWHRSA-N -1 3 316.335 1.059 20 5 DDBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553762 355923001 /nfs/dbraw/zinc/92/30/01/355923001.db2.gz PHNMWUXSZHTLPD-JOYOIKCWSA-N -1 3 317.367 1.065 20 5 DDBDHM CCCCNC(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596102902 356772639 /nfs/dbraw/zinc/77/26/39/356772639.db2.gz SLZMEHUAWHAYKC-NSHDSACASA-N -1 3 322.365 1.828 20 5 DDBDHM C[C@@H]1OCC[C@@]12CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000596217481 356819106 /nfs/dbraw/zinc/81/91/06/356819106.db2.gz ROASHKOEYFCVEG-ISTVAULSSA-N -1 3 309.322 1.468 20 5 DDBDHM O=C1CCCN1[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596273727 356840776 /nfs/dbraw/zinc/84/07/76/356840776.db2.gz JUYJJPDWDPBYEP-LLVKDONJSA-N -1 3 320.349 1.677 20 5 DDBDHM CC(C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000087040074 192615758 /nfs/dbraw/zinc/61/57/58/192615758.db2.gz VCLQHKYSLGZPFH-UHFFFAOYSA-N -1 3 308.743 1.297 20 5 DDBDHM CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597858108 357361276 /nfs/dbraw/zinc/36/12/76/357361276.db2.gz JQDGAGBXAZMYSQ-LLVKDONJSA-N -1 3 307.350 1.903 20 5 DDBDHM CC(C)(C)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000597926045 357385249 /nfs/dbraw/zinc/38/52/49/357385249.db2.gz ZURDRHGSNUHBOF-SNVBAGLBSA-N -1 3 307.350 1.903 20 5 DDBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601440414 358554623 /nfs/dbraw/zinc/55/46/23/358554623.db2.gz VZRDQCAOPDZQBO-MRVPVSSYSA-N -1 3 322.408 1.916 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000603501591 359650498 /nfs/dbraw/zinc/65/04/98/359650498.db2.gz SQRZFANZLWVQRI-VIFPVBQESA-N -1 3 320.305 1.138 20 5 DDBDHM CC(C)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188079562 200190531 /nfs/dbraw/zinc/19/05/31/200190531.db2.gz UMJFBJLCVAQIPJ-UHFFFAOYSA-N -1 3 308.338 1.109 20 5 DDBDHM O=C([N-]OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000188315517 200226452 /nfs/dbraw/zinc/22/64/52/200226452.db2.gz WSIXTEIYZXIFEV-MRVPVSSYSA-N -1 3 300.698 1.946 20 5 DDBDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188511026 200258951 /nfs/dbraw/zinc/25/89/51/200258951.db2.gz SBHLKOSRWARAFI-JGVFFNPUSA-N -1 3 306.315 1.436 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000613477513 361436981 /nfs/dbraw/zinc/43/69/81/361436981.db2.gz BZGREKIMGZQACR-VIFPVBQESA-N -1 3 320.392 1.404 20 5 DDBDHM COCC(C)(C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481397 364030287 /nfs/dbraw/zinc/03/02/87/364030287.db2.gz MSNMWOHPKITUHQ-UHFFFAOYSA-N -1 3 318.351 1.307 20 5 DDBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774434 284047834 /nfs/dbraw/zinc/04/78/34/284047834.db2.gz HXZPEWUNFFGMDS-SECBINFHSA-N -1 3 321.424 1.663 20 5 DDBDHM CCC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000275131923 212139911 /nfs/dbraw/zinc/13/99/11/212139911.db2.gz BWEDEXBQBXJJSS-UHFFFAOYSA-N -1 3 320.754 1.814 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000340828443 251232060 /nfs/dbraw/zinc/23/20/60/251232060.db2.gz QMQFUDYZVCAIFT-ZJUUUORDSA-N -1 3 302.352 1.341 20 5 DDBDHM CC(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269212081 207331157 /nfs/dbraw/zinc/33/11/57/207331157.db2.gz KYJLWSCAKWIYKC-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM C[C@@H](O)C(C)(C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272902912 210291692 /nfs/dbraw/zinc/29/16/92/210291692.db2.gz YDOLIBBRDYMBLC-MRVPVSSYSA-N -1 3 302.277 1.962 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000120543034 195187436 /nfs/dbraw/zinc/18/74/36/195187436.db2.gz LOLNLZODBUINEE-ZJUUUORDSA-N -1 3 302.352 1.198 20 5 DDBDHM CN1C(=O)c2ccc([N-]C(=O)c3ccc([N+](=O)[O-])o3)cc2C1=O ZINC000070702950 406821384 /nfs/dbraw/zinc/82/13/84/406821384.db2.gz RIOKLUWDLOYEPZ-UHFFFAOYSA-N -1 3 315.241 1.666 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccccn2n1 ZINC000179208995 306690922 /nfs/dbraw/zinc/69/09/22/306690922.db2.gz HAAJLIVDIRLUDT-UHFFFAOYSA-N -1 3 313.273 1.898 20 5 DDBDHM CCOC(=O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000037564996 406990319 /nfs/dbraw/zinc/99/03/19/406990319.db2.gz SXUZIQSYVXPXKW-UHFFFAOYSA-N -1 3 316.335 1.053 20 5 DDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000079227317 407052368 /nfs/dbraw/zinc/05/23/68/407052368.db2.gz WZBNBVAOLUPOOW-SSDOTTSWSA-N -1 3 308.743 1.561 20 5 DDBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000094960483 407204620 /nfs/dbraw/zinc/20/46/20/407204620.db2.gz ZYPQSIDKRXPNEH-VIFPVBQESA-N -1 3 320.342 1.421 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000124592285 407363474 /nfs/dbraw/zinc/36/34/74/407363474.db2.gz FHJFMAJESXPDTN-JTQLQIEISA-N -1 3 322.408 1.650 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000129758919 407627568 /nfs/dbraw/zinc/62/75/68/407627568.db2.gz QJWPAZWCHJEJMA-UHFFFAOYSA-N -1 3 316.252 1.732 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccncc2)c([N+](=O)[O-])c1 ZINC000119172421 408008388 /nfs/dbraw/zinc/00/83/88/408008388.db2.gz LRQCASDDPRKJHR-UHFFFAOYSA-N -1 3 323.330 1.477 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000190001853 408145372 /nfs/dbraw/zinc/14/53/72/408145372.db2.gz PZOQMVKBCQVCLZ-MNOVXSKESA-N -1 3 316.379 1.507 20 5 DDBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nncn2C)cc1OC ZINC000274180214 408316176 /nfs/dbraw/zinc/31/61/76/408316176.db2.gz IVOQYOVOEXPYKV-UHFFFAOYSA-N -1 3 321.293 1.383 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H](C)OC ZINC000263811535 408268708 /nfs/dbraw/zinc/26/87/08/408268708.db2.gz NAPUAUQBXQFNDX-SECBINFHSA-N -1 3 318.351 1.307 20 5 DDBDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269737467 408410920 /nfs/dbraw/zinc/41/09/20/408410920.db2.gz DKOBTWCVDQSPPN-KOLCDFICSA-N -1 3 302.352 1.280 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000274822518 408545176 /nfs/dbraw/zinc/54/51/76/408545176.db2.gz WQSXVNRITMCPQT-LBPRGKRZSA-N -1 3 318.326 1.500 20 5 DDBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192660940 408626890 /nfs/dbraw/zinc/62/68/90/408626890.db2.gz VDCMCLVLVQQJEK-LLVKDONJSA-N -1 3 313.379 1.357 20 5 DDBDHM CCCc1[nH]nc(C(=O)[N-]c2nnc(C)n2C2CC2)c1[N+](=O)[O-] ZINC000285820265 408871121 /nfs/dbraw/zinc/87/11/21/408871121.db2.gz SYOJJYIDJFONAB-UHFFFAOYSA-N -1 3 319.325 1.758 20 5 DDBDHM C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000287048016 409003114 /nfs/dbraw/zinc/00/31/14/409003114.db2.gz JDKAFOLHYZMTMX-RISCZKNCSA-N -1 3 319.361 1.999 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC000286397615 408977026 /nfs/dbraw/zinc/97/70/26/408977026.db2.gz NMNACGXAJQERBM-PWSUYJOCSA-N -1 3 305.334 1.467 20 5 DDBDHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278079730 409061562 /nfs/dbraw/zinc/06/15/62/409061562.db2.gz ZVQBPYHFNPAJLL-KWQFWETISA-N -1 3 318.326 1.437 20 5 DDBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000296041836 409409422 /nfs/dbraw/zinc/40/94/22/409409422.db2.gz BPTQNOHRXNPVAT-VIFPVBQESA-N -1 3 320.342 1.421 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000342489844 409671062 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/nfs/dbraw/zinc/15/87/11/420158711.db2.gz XWCABVJHIPNFQY-UHFFFAOYSA-N -1 3 315.713 1.400 20 5 DDBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416592779 420428890 /nfs/dbraw/zinc/42/88/90/420428890.db2.gz VUOAUJYLRCGEMY-JTQLQIEISA-N -1 3 302.352 1.546 20 5 DDBDHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000440361594 420570015 /nfs/dbraw/zinc/57/00/15/420570015.db2.gz BSLCQKIAVQTGHK-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)c2ccncc21 ZINC000527315701 421377613 /nfs/dbraw/zinc/37/76/13/421377613.db2.gz SYRMXOFFOSJRSW-UHFFFAOYSA-N -1 3 303.303 1.905 20 5 DDBDHM COC(=O)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000578940433 422674843 /nfs/dbraw/zinc/67/48/43/422674843.db2.gz CQHXDJMVAKFFPC-UHFFFAOYSA-N -1 3 322.302 1.794 20 5 DDBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc3n2CCCC3)c1[N+](=O)[O-] ZINC000272781695 276041942 /nfs/dbraw/zinc/04/19/42/276041942.db2.gz FUQXDZCIAYTMFG-UHFFFAOYSA-N -1 3 319.325 1.621 20 5 DDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1 ZINC000286012338 277431084 /nfs/dbraw/zinc/43/10/84/277431084.db2.gz NOKRLKPFIOCRGE-UHFFFAOYSA-N -1 3 306.282 1.040 20 5 DDBDHM CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)C1 ZINC000293962295 290251118 /nfs/dbraw/zinc/25/11/18/290251118.db2.gz TXGRFYNFMZNFCZ-HNNXBMFYSA-N -1 3 305.334 1.468 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000370170485 301288373 /nfs/dbraw/zinc/28/83/73/301288373.db2.gz CIZGZWOSZSZJMU-ZYHUDNBSSA-N -1 3 305.334 1.467 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)CN)c(C)cc1[N+](=O)[O-] ZINC000515311980 302771945 /nfs/dbraw/zinc/77/19/45/302771945.db2.gz AQCBBLPZMZTJML-UHFFFAOYSA-N -1 3 323.321 1.084 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@@H]21 ZINC000374803803 307214440 /nfs/dbraw/zinc/21/44/40/307214440.db2.gz XCZUMPQWKSXRTM-MFKMUULPSA-N -1 3 305.334 1.467 20 5 DDBDHM O=C([O-])COCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000517160818 307429637 /nfs/dbraw/zinc/42/96/37/307429637.db2.gz KZILQDQPIUZVNP-UHFFFAOYSA-N -1 3 324.333 1.539 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000579348354 308525000 /nfs/dbraw/zinc/52/50/00/308525000.db2.gz DQQAMOIFDVGWIN-HTQZYQBOSA-N -1 3 320.754 1.704 20 5 DDBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451980187 529237799 /nfs/dbraw/zinc/23/77/99/529237799.db2.gz RGQIDOYFPGOYTJ-CMPLNLGQSA-N -1 3 316.379 1.731 20 5 DDBDHM CC[C@@H](C[C@H](C)CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820881579 599359694 /nfs/dbraw/zinc/35/96/94/599359694.db2.gz BIXCSTGGVOJBQD-ONGXEEELSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@@H](C[C@H](C)CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820881579 599359696 /nfs/dbraw/zinc/35/96/96/599359696.db2.gz BIXCSTGGVOJBQD-ONGXEEELSA-N -1 3 320.353 1.984 20 5 DDBDHM CS[C@@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821950063 607346901 /nfs/dbraw/zinc/34/69/01/607346901.db2.gz KBSOZGIDUCIUNC-HQJQHLMTSA-N -1 3 324.366 1.299 20 5 DDBDHM CN(C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736790971 598373855 /nfs/dbraw/zinc/37/38/55/598373855.db2.gz KPPCWLQXSRCWID-JTQLQIEISA-N -1 3 304.310 1.390 20 5 DDBDHM CN(C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736790971 598373858 /nfs/dbraw/zinc/37/38/58/598373858.db2.gz KPPCWLQXSRCWID-JTQLQIEISA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC000736215869 598816926 /nfs/dbraw/zinc/81/69/26/598816926.db2.gz CWXFJEPBERZCFX-GFCCVEGCSA-N -1 3 305.298 1.008 20 5 DDBDHM C[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC000736215869 598816928 /nfs/dbraw/zinc/81/69/28/598816928.db2.gz CWXFJEPBERZCFX-GFCCVEGCSA-N -1 3 305.298 1.008 20 5 DDBDHM CC[C@H](C[C@@H](C)CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820881578 599359769 /nfs/dbraw/zinc/35/97/69/599359769.db2.gz BIXCSTGGVOJBQD-MWLCHTKSSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C[C@@H](C)CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820881578 599359771 /nfs/dbraw/zinc/35/97/71/599359771.db2.gz BIXCSTGGVOJBQD-MWLCHTKSSA-N -1 3 320.353 1.984 20 5 DDBDHM O=C([O-])NC[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000740644499 601936565 /nfs/dbraw/zinc/93/65/65/601936565.db2.gz UECNTTXCFAMNGD-LLVKDONJSA-N -1 3 309.322 1.563 20 5 DDBDHM CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828336926 603486513 /nfs/dbraw/zinc/48/65/13/603486513.db2.gz KGUPCZLOJWVLQU-LBPRGKRZSA-N -1 3 309.322 1.658 20 5 DDBDHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000825263218 604212225 /nfs/dbraw/zinc/21/22/25/604212225.db2.gz FOYSTCLQFLZMFD-MNOVXSKESA-N -1 3 311.342 1.159 20 5 DDBDHM O=C([O-])[C@H]1CC12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000833771885 605005309 /nfs/dbraw/zinc/00/53/09/605005309.db2.gz SWBJWXAHHOFMQU-ZIAGYGMSSA-N -1 3 320.345 1.815 20 5 DDBDHM CC[C@@H]1CO[C@H](C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821000818 606722989 /nfs/dbraw/zinc/72/29/89/606722989.db2.gz JYDTTYGPOQIXEB-MWLCHTKSSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H]1CO[C@H](C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821000818 606722991 /nfs/dbraw/zinc/72/29/91/606722991.db2.gz JYDTTYGPOQIXEB-MWLCHTKSSA-N -1 3 318.337 1.779 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)CC1CC1 ZINC000826497802 607850752 /nfs/dbraw/zinc/85/07/52/607850752.db2.gz VKRBBEMANYQAEB-SNVBAGLBSA-N -1 3 304.310 1.348 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)CC1CC1 ZINC000826497802 607850753 /nfs/dbraw/zinc/85/07/53/607850753.db2.gz VKRBBEMANYQAEB-SNVBAGLBSA-N -1 3 304.310 1.348 20 5 DDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000826173776 608264514 /nfs/dbraw/zinc/26/45/14/608264514.db2.gz UHOBMDSZDDQDEU-UHFFFAOYSA-N -1 3 315.293 1.337 20 5 DDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000826173776 608264515 /nfs/dbraw/zinc/26/45/15/608264515.db2.gz UHOBMDSZDDQDEU-UHFFFAOYSA-N -1 3 315.293 1.337 20 5 DDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000826232488 609167858 /nfs/dbraw/zinc/16/78/58/609167858.db2.gz PJHYBOYJUFCGAG-DTORHVGOSA-N -1 3 304.310 1.389 20 5 DDBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000826232488 609167860 /nfs/dbraw/zinc/16/78/60/609167860.db2.gz PJHYBOYJUFCGAG-DTORHVGOSA-N -1 3 304.310 1.389 20 5 DDBDHM CCCc1[nH]nc(C(=O)OCc2cc(=O)c([O-])co2)c1[N+](=O)[O-] ZINC000796259836 699921984 /nfs/dbraw/zinc/92/19/84/699921984.db2.gz CEMUUEODQTULCA-UHFFFAOYSA-N -1 3 323.261 1.286 20 5 DDBDHM O=C([O-])[C@@H]1CSCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000851706803 703833772 /nfs/dbraw/zinc/83/37/72/703833772.db2.gz ZEUKYOZBLISDGX-NWDGAFQWSA-N -1 3 312.347 1.130 20 5 DDBDHM CO[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000872162647 707310794 /nfs/dbraw/zinc/31/07/94/707310794.db2.gz VGXNGFLSVQINSE-OCCSQVGLSA-N -1 3 308.334 1.967 20 5 DDBDHM CC1(C)CCN(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000890072734 709733807 /nfs/dbraw/zinc/73/38/07/709733807.db2.gz VBSPPFYOWPGKJQ-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM Cc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(=O)[n-]1 ZINC000891859722 710311631 /nfs/dbraw/zinc/31/16/31/710311631.db2.gz MNROJFAHYLBHHY-UHFFFAOYSA-N -1 3 315.333 1.725 20 5 DDBDHM COc1c([O-])ccc(CN2CCO[C@@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000894263496 711042751 /nfs/dbraw/zinc/04/27/51/711042751.db2.gz GSRAAYCJVODIRG-SNVBAGLBSA-N -1 3 318.276 1.775 20 5 DDBDHM C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CN2CCC1CC2 ZINC000912375381 711299649 /nfs/dbraw/zinc/29/96/49/711299649.db2.gz GMVFWGXHACZWEK-HNNXBMFYSA-N -1 3 305.334 1.515 20 5 DDBDHM C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN2CCC1CC2 ZINC000912378523 711301477 /nfs/dbraw/zinc/30/14/77/711301477.db2.gz RIAGMPZDDWAGNV-HNNXBMFYSA-N -1 3 305.334 1.515 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C/C1CC1 ZINC001106739034 746000123 /nfs/dbraw/zinc/00/01/23/746000123.db2.gz WVNMCCYGYAJGDU-AATRIKPKSA-N -1 3 320.349 1.922 20 5 DDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3CCO)c1 ZINC001199814287 748007533 /nfs/dbraw/zinc/00/75/33/748007533.db2.gz GFKJGLJRIQGVLW-UHFFFAOYSA-N -1 3 316.277 1.176 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c(F)cc1[N+](=O)[O-] ZINC001118994004 756879879 /nfs/dbraw/zinc/87/98/79/756879879.db2.gz MTYNWELDVJPQKL-VIFPVBQESA-N -1 3 318.326 1.357 20 5 DDBDHM CN(CCNC(=O)/C=C\C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100002056 760419148 /nfs/dbraw/zinc/41/91/48/760419148.db2.gz QWESULHATGFVBZ-PLNGDYQASA-N -1 3 306.322 1.214 20 5 DDBDHM O=C(NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001069810916 768153204 /nfs/dbraw/zinc/15/32/04/768153204.db2.gz FOQNNCPENQETPO-UHFFFAOYSA-N -1 3 318.333 1.358 20 5 DDBDHM O=C(N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1)c1cn[n-]n1 ZINC001068618370 767458683 /nfs/dbraw/zinc/45/86/83/767458683.db2.gz KBDCGQGDFHWSQT-HOMQSWHASA-N -1 3 316.321 1.333 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(F)F ZINC001101874222 777631876 /nfs/dbraw/zinc/63/18/76/777631876.db2.gz WDXRXDPHTMNALM-UHFFFAOYSA-N -1 3 318.280 1.611 20 5 DDBDHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])o1 ZINC001177645162 778696386 /nfs/dbraw/zinc/69/63/86/778696386.db2.gz QYBZREHGTJOMEB-UHFFFAOYSA-N -1 3 304.262 1.491 20 5 DDBDHM C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001326421039 861354000 /nfs/dbraw/zinc/35/40/00/861354000.db2.gz NDZUNOJGAALFIO-NSHDSACASA-N -1 3 322.365 1.341 20 5 DDBDHM COC(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(F)(F)F ZINC001227693060 883136452 /nfs/dbraw/zinc/13/64/52/883136452.db2.gz JTLZMTBGDMREEO-SSDOTTSWSA-N -1 3 320.183 1.349 20 5 DDBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210779840 875527596 /nfs/dbraw/zinc/52/75/96/875527596.db2.gz UXIQMASEQNXTRX-LURJTMIESA-N -1 3 322.364 1.052 20 5 DDBDHM O=[N+]([O-])c1ccc2nc(OC3CCS(=O)(=O)CC3)[n-]c2c1 ZINC001227746448 883155407 /nfs/dbraw/zinc/15/54/07/883155407.db2.gz SMQRDYPRUJPGHY-UHFFFAOYSA-N -1 3 311.319 1.427 20 5 DDBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCS(=O)(=O)CC3)nc2c1 ZINC001227746448 883155412 /nfs/dbraw/zinc/15/54/12/883155412.db2.gz SMQRDYPRUJPGHY-UHFFFAOYSA-N -1 3 311.319 1.427 20 5 DDBDHM C[C@@H](CN1CCOCC1)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744697 883155470 /nfs/dbraw/zinc/15/54/70/883155470.db2.gz HWPUGRNQLAFQDM-JTQLQIEISA-N -1 3 306.322 1.571 20 5 DDBDHM C[C@@H](CN1CCOCC1)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744697 883155473 /nfs/dbraw/zinc/15/54/73/883155473.db2.gz HWPUGRNQLAFQDM-JTQLQIEISA-N -1 3 306.322 1.571 20 5 DDBDHM CCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000451962257 529756555 /nfs/dbraw/zinc/75/65/55/529756555.db2.gz WDRWLFBBFVTRTN-UHFFFAOYSA-N -1 3 311.319 1.624 20 5 DDBDHM O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000449668721 303987324 /nfs/dbraw/zinc/98/73/24/303987324.db2.gz UKKJXMRGWUZBKD-JTQLQIEISA-N -1 3 301.249 1.027 20 5 DDBDHM Cc1ccc(-c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)cc1[N+](=O)[O-] ZINC000593293824 355847971 /nfs/dbraw/zinc/84/79/71/355847971.db2.gz KRFIFVSEXSBUHY-VIFPVBQESA-N -1 3 324.318 1.317 20 5 DDBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000593584749 355934450 /nfs/dbraw/zinc/93/44/50/355934450.db2.gz DLFOHTGKUSMILV-UHFFFAOYSA-N -1 3 317.392 1.554 20 5 DDBDHM O=c1[n-]ccc(NC[C@@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596080930 356765945 /nfs/dbraw/zinc/76/59/45/356765945.db2.gz PWTPDBKZMLCDMK-QMMMGPOBSA-N -1 3 320.271 1.992 20 5 DDBDHM CCO[C@@H](C)c1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596137709 356788466 /nfs/dbraw/zinc/78/84/66/356788466.db2.gz BZCOSZSHFFCHNM-QMMMGPOBSA-N -1 3 323.309 1.812 20 5 DDBDHM O=c1[n-]ccc(N2CCOCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000596192548 356807980 /nfs/dbraw/zinc/80/79/80/356807980.db2.gz CVFWOYPTZGWAEA-UHFFFAOYSA-N -1 3 309.322 1.329 20 5 DDBDHM Cc1cc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c([N+](=O)[O-])s1 ZINC000596215014 356817818 /nfs/dbraw/zinc/81/78/18/356817818.db2.gz PJMKMJPQLKBCPN-GFCCVEGCSA-N -1 3 310.335 1.143 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2sccc2C(=O)OC)c1[N+](=O)[O-] ZINC000597663412 357273798 /nfs/dbraw/zinc/27/37/98/357273798.db2.gz LKSPPWWRSQVHSB-UHFFFAOYSA-N -1 3 324.318 1.981 20 5 DDBDHM CC(C)(C)N1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000597923764 357383592 /nfs/dbraw/zinc/38/35/92/357383592.db2.gz PJGSBLBUKDLQJB-JTQLQIEISA-N -1 3 307.350 1.903 20 5 DDBDHM Cc1nc([N-]C(=O)c2nnn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000598824166 357736557 /nfs/dbraw/zinc/73/65/57/357736557.db2.gz XADSVBZRMKTSEE-UHFFFAOYSA-N -1 3 305.298 1.292 20 5 DDBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ncc([N+](=O)[O-])cn1 ZINC000599090163 357812825 /nfs/dbraw/zinc/81/28/25/357812825.db2.gz KBBBYMLQDHXBNL-UHFFFAOYSA-N -1 3 319.321 1.313 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000601415902 358543048 /nfs/dbraw/zinc/54/30/48/358543048.db2.gz ZKILUUNDAINJQL-VIFPVBQESA-N -1 3 319.358 1.271 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCCOC2)c([N+](=O)[O-])s1 ZINC000601385286 358528540 /nfs/dbraw/zinc/52/85/40/358528540.db2.gz OISHTMFQZZLBHU-NSHDSACASA-N -1 3 320.392 1.812 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c(F)c1 ZINC000188316500 200227107 /nfs/dbraw/zinc/22/71/07/200227107.db2.gz FSKADKXTXJWNOQ-SCZZXKLOSA-N -1 3 318.326 1.173 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000609648865 360340563 /nfs/dbraw/zinc/34/05/63/360340563.db2.gz UXXZHHBZPJSYSO-NSHDSACASA-N -1 3 305.294 1.228 20 5 DDBDHM CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610579558 360475702 /nfs/dbraw/zinc/47/57/02/360475702.db2.gz XHYVBYZYHCMBLX-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)C(C)(C)O ZINC000619485626 364032188 /nfs/dbraw/zinc/03/21/88/364032188.db2.gz PXMBXYPXMPWLAF-QMMMGPOBSA-N -1 3 318.351 1.041 20 5 DDBDHM O=C(Nc1ccc2c(c1)COC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000092049757 193148080 /nfs/dbraw/zinc/14/80/80/193148080.db2.gz HVFDWTHXLNOKOW-UHFFFAOYSA-N -1 3 301.258 1.566 20 5 DDBDHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000351578039 284390169 /nfs/dbraw/zinc/39/01/69/284390169.db2.gz ABOAPYIPPDVNLW-PGLGOXFNSA-N -1 3 314.363 1.509 20 5 DDBDHM Cc1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000352236247 284887877 /nfs/dbraw/zinc/88/78/77/284887877.db2.gz CGBIKXIKCYWNQM-UHFFFAOYSA-N -1 3 308.275 1.736 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CCC2)c1[N+](=O)[O-] ZINC000360021122 299581509 /nfs/dbraw/zinc/58/15/09/299581509.db2.gz CPDDANHMMXJFHZ-UHFFFAOYSA-N -1 3 313.379 1.196 20 5 DDBDHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120623609 195203467 /nfs/dbraw/zinc/20/34/67/195203467.db2.gz HJKNBTNKUDJONU-SNVBAGLBSA-N -1 3 322.770 1.543 20 5 DDBDHM O=C([O-])[C@H]1Cc2ccccc2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000569493218 304358160 /nfs/dbraw/zinc/35/81/60/304358160.db2.gz PVKQDSXBLYMHQY-CQSZACIVSA-N -1 3 316.317 1.303 20 5 DDBDHM Cn1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000133477437 407851780 /nfs/dbraw/zinc/85/17/80/407851780.db2.gz WDXKHWAFIPUNHA-UHFFFAOYSA-N -1 3 310.335 1.313 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)CO)c1[N+](=O)[O-] ZINC000189990574 408142930 /nfs/dbraw/zinc/14/29/30/408142930.db2.gz WRRQGJSYRSJMGI-QMMMGPOBSA-N -1 3 302.352 1.118 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000123784983 161808791 /nfs/dbraw/zinc/80/87/91/161808791.db2.gz GTWGAAZSUDWTGG-QMMMGPOBSA-N -1 3 306.365 1.422 20 5 DDBDHM CC(C)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000121422774 408208246 /nfs/dbraw/zinc/20/82/46/408208246.db2.gz MYSPFLOSCRSXSE-UHFFFAOYSA-N -1 3 323.334 1.998 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(F)c1 ZINC000183391713 408397332 /nfs/dbraw/zinc/39/73/32/408397332.db2.gz CBZODMAHPHMHIX-SECBINFHSA-N -1 3 318.326 1.581 20 5 DDBDHM CSc1nnc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000269750139 408416333 /nfs/dbraw/zinc/41/63/33/408416333.db2.gz ZRVZDBWIETXPDS-UHFFFAOYSA-N -1 3 307.335 1.924 20 5 DDBDHM CSc1n[n-]c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000269750139 408416339 /nfs/dbraw/zinc/41/63/39/408416339.db2.gz ZRVZDBWIETXPDS-UHFFFAOYSA-N -1 3 307.335 1.924 20 5 DDBDHM CSc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000269750139 408416342 /nfs/dbraw/zinc/41/63/42/408416342.db2.gz ZRVZDBWIETXPDS-UHFFFAOYSA-N -1 3 307.335 1.924 20 5 DDBDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274780047 408529763 /nfs/dbraw/zinc/52/97/63/408529763.db2.gz KGNHRSZAGCTODN-NOZJJQNGSA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H](C)O)c1 ZINC000183682054 408469475 /nfs/dbraw/zinc/46/94/75/408469475.db2.gz KQZSTGGGJKNZRC-QMMMGPOBSA-N -1 3 322.770 1.606 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)[nH]1 ZINC000295456797 409490260 /nfs/dbraw/zinc/49/02/60/409490260.db2.gz ZLIJPWGNCZEBKW-UHFFFAOYSA-N -1 3 323.334 1.069 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000342489846 409671779 /nfs/dbraw/zinc/67/17/79/409671779.db2.gz NDUVGHUBZYZABS-IUCAKERBSA-N -1 3 318.376 1.180 20 5 DDBDHM O=C1C[C@H]([C@@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])CN1 ZINC000331882811 409792589 /nfs/dbraw/zinc/79/25/89/409792589.db2.gz ISPSEKMHFLGVMY-FZMZJTMJSA-N -1 3 319.361 1.791 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000332354301 410090364 /nfs/dbraw/zinc/09/03/64/410090364.db2.gz RXYJXVGFIUMABD-NSHDSACASA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000351757702 410212448 /nfs/dbraw/zinc/21/24/48/410212448.db2.gz UZUYXHDNYNNAJE-UHFFFAOYSA-N -1 3 314.261 1.929 20 5 DDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000351757702 410212453 /nfs/dbraw/zinc/21/24/53/410212453.db2.gz UZUYXHDNYNNAJE-UHFFFAOYSA-N -1 3 314.261 1.929 20 5 DDBDHM CCC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000330530839 410753712 /nfs/dbraw/zinc/75/37/12/410753712.db2.gz MIOASMBEDZCMMV-UHFFFAOYSA-N -1 3 314.363 1.832 20 5 DDBDHM Cc1cc(S(=O)(=O)NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000360012841 411000251 /nfs/dbraw/zinc/00/02/51/411000251.db2.gz WWXQICTZQYQNAT-UHFFFAOYSA-N -1 3 323.330 1.482 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000133005583 196303622 /nfs/dbraw/zinc/30/36/22/196303622.db2.gz SZEYBOYKFLIFGC-JTQLQIEISA-N -1 3 314.363 1.688 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(F)c1 ZINC000416650572 225018507 /nfs/dbraw/zinc/01/85/07/225018507.db2.gz QQITZMCHLPUNGO-MRVPVSSYSA-N -1 3 300.311 1.812 20 5 DDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc3c([n-]2)CCC3)c1 ZINC000427079737 419589009 /nfs/dbraw/zinc/58/90/09/419589009.db2.gz CRFQGFGAYOTQMB-UHFFFAOYSA-N -1 3 307.331 1.781 20 5 DDBDHM CC1(C)CCCN1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457065493 420600166 /nfs/dbraw/zinc/60/01/66/420600166.db2.gz XIXGAXWIGCOLBZ-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC000451894168 420614468 /nfs/dbraw/zinc/61/44/68/420614468.db2.gz UUBGBORLLNTYEH-LBPRGKRZSA-N -1 3 312.347 1.442 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000467054666 420928231 /nfs/dbraw/zinc/92/82/31/420928231.db2.gz VVMXMHAJAIDNHF-KYZUINATSA-N -1 3 320.392 1.547 20 5 DDBDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncc([N+](=O)[O-])c(N)n2)n1 ZINC000566498739 421607204 /nfs/dbraw/zinc/60/72/04/421607204.db2.gz MLAFOIIUOCPLIO-ZCFIWIBFSA-N -1 3 308.323 1.624 20 5 DDBDHM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000521050524 421771308 /nfs/dbraw/zinc/77/13/08/421771308.db2.gz RXSYKVHBEDRHRY-JTQLQIEISA-N -1 3 320.349 1.609 20 5 DDBDHM O=[N+]([O-])c1cc2c(ncnc2Sc2nnc(CO)[n-]2)s1 ZINC000557658962 421784223 /nfs/dbraw/zinc/78/42/23/421784223.db2.gz HBVUTFHKLMHJSF-UHFFFAOYSA-N -1 3 310.320 1.361 20 5 DDBDHM O=[N+]([O-])c1cc2c(ncnc2Sc2n[n-]c(CO)n2)s1 ZINC000557658962 421784224 /nfs/dbraw/zinc/78/42/24/421784224.db2.gz HBVUTFHKLMHJSF-UHFFFAOYSA-N -1 3 310.320 1.361 20 5 DDBDHM C[C@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CN1C1CC1 ZINC000581134572 421907747 /nfs/dbraw/zinc/90/77/47/421907747.db2.gz VUWOZONIPCROKV-DTWKUNHWSA-N -1 3 306.322 1.725 20 5 DDBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000345201552 272189881 /nfs/dbraw/zinc/18/98/81/272189881.db2.gz QCOKPXWXCPOXHP-UHFFFAOYSA-N -1 3 318.264 1.428 20 5 DDBDHM C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000288244258 297411079 /nfs/dbraw/zinc/41/10/79/297411079.db2.gz FUGPUBYMGORHRX-YPMHNXCESA-N -1 3 319.361 1.999 20 5 DDBDHM C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000357415431 306882935 /nfs/dbraw/zinc/88/29/35/306882935.db2.gz WCKHHRCFUIAJRX-LBPRGKRZSA-N -1 3 300.336 1.442 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000451923601 533706245 /nfs/dbraw/zinc/70/62/45/533706245.db2.gz CDQFDFLZSNTVPR-NSHDSACASA-N -1 3 315.395 1.440 20 5 DDBDHM C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584294371 332222095 /nfs/dbraw/zinc/22/20/95/332222095.db2.gz QFUVRYUCRUXHLT-ZYHUDNBSSA-N -1 3 320.349 1.751 20 5 DDBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000584554449 337360615 /nfs/dbraw/zinc/36/06/15/337360615.db2.gz IPSIQSIZSUSYQD-UHFFFAOYSA-N -1 3 318.264 1.428 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(C)C ZINC000198629901 484131592 /nfs/dbraw/zinc/13/15/92/484131592.db2.gz PLOGZERYEBFFAX-UHFFFAOYSA-N -1 3 302.352 1.928 20 5 DDBDHM Cc1cc([N-]C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)on1 ZINC000446066244 533946961 /nfs/dbraw/zinc/94/69/61/533946961.db2.gz JSZQMGRLBVGVCL-UHFFFAOYSA-N -1 3 307.262 1.401 20 5 DDBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295359308 527802103 /nfs/dbraw/zinc/80/21/03/527802103.db2.gz RUVGGNLWUKARST-UHFFFAOYSA-N -1 3 300.336 1.824 20 5 DDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737968592 599178632 /nfs/dbraw/zinc/17/86/32/599178632.db2.gz KNNZHJLVODVRFD-UHFFFAOYSA-N -1 3 324.300 1.956 20 5 DDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737968592 599178634 /nfs/dbraw/zinc/17/86/34/599178634.db2.gz KNNZHJLVODVRFD-UHFFFAOYSA-N -1 3 324.300 1.956 20 5 DDBDHM CCC[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736419502 598774844 /nfs/dbraw/zinc/77/48/44/598774844.db2.gz MJLAJRZMLZIPET-GFCCVEGCSA-N -1 3 307.314 1.133 20 5 DDBDHM CCC[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736419502 598774845 /nfs/dbraw/zinc/77/48/45/598774845.db2.gz MJLAJRZMLZIPET-GFCCVEGCSA-N -1 3 307.314 1.133 20 5 DDBDHM CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820902613 606722881 /nfs/dbraw/zinc/72/28/81/606722881.db2.gz NLAKLSGPSCETLT-SECBINFHSA-N -1 3 306.326 1.595 20 5 DDBDHM CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820902613 606722883 /nfs/dbraw/zinc/72/28/83/606722883.db2.gz NLAKLSGPSCETLT-SECBINFHSA-N -1 3 306.326 1.595 20 5 DDBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCO1 ZINC000820623354 606724107 /nfs/dbraw/zinc/72/41/07/606724107.db2.gz NENKVAZBNKZQLW-ZDUSSCGKSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCO1 ZINC000820623354 606724108 /nfs/dbraw/zinc/72/41/08/606724108.db2.gz NENKVAZBNKZQLW-ZDUSSCGKSA-N -1 3 304.310 1.756 20 5 DDBDHM CCN(CCC(=O)OC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821207188 606756335 /nfs/dbraw/zinc/75/63/35/606756335.db2.gz JDHSQFKACVYICT-UHFFFAOYSA-N -1 3 320.309 1.164 20 5 DDBDHM CCN(CCC(=O)OC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821207188 606756337 /nfs/dbraw/zinc/75/63/37/606756337.db2.gz JDHSQFKACVYICT-UHFFFAOYSA-N -1 3 320.309 1.164 20 5 DDBDHM Cc1nn(C)c(Oc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000822496633 607128772 /nfs/dbraw/zinc/12/87/72/607128772.db2.gz SNLVTPGPSDSORC-UHFFFAOYSA-N -1 3 319.256 1.748 20 5 DDBDHM Cc1nn(C)c(Oc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000822496633 607128773 /nfs/dbraw/zinc/12/87/73/607128773.db2.gz SNLVTPGPSDSORC-UHFFFAOYSA-N -1 3 319.256 1.748 20 5 DDBDHM C[C@@H](CC[S@](C)=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820249001 704246446 /nfs/dbraw/zinc/24/64/46/704246446.db2.gz QUWAYZRUVZBEPL-ZCAPAMDOSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@@H](CC[S@](C)=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820249001 704246448 /nfs/dbraw/zinc/24/64/48/704246448.db2.gz QUWAYZRUVZBEPL-ZCAPAMDOSA-N -1 3 324.366 1.344 20 5 DDBDHM CCOC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821374337 704399256 /nfs/dbraw/zinc/39/92/56/704399256.db2.gz VNOHDNCRQRYBKY-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CCOC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821374337 704399257 /nfs/dbraw/zinc/39/92/57/704399257.db2.gz VNOHDNCRQRYBKY-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CC(C)(C)n1nnc(C(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000857572293 704604954 /nfs/dbraw/zinc/60/49/54/704604954.db2.gz XLLHESJGWCNUJT-UHFFFAOYSA-N -1 3 308.273 1.728 20 5 DDBDHM CCON(CC)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000858680706 704744449 /nfs/dbraw/zinc/74/44/49/704744449.db2.gz TWKWGQJZRFSEMX-UHFFFAOYSA-N -1 3 312.282 1.715 20 5 DDBDHM Cc1ccc(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826291593 705787926 /nfs/dbraw/zinc/78/79/26/705787926.db2.gz MZODTGJQJZKQFU-UHFFFAOYSA-N -1 3 314.261 1.631 20 5 DDBDHM Cc1ccc(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826291593 705787929 /nfs/dbraw/zinc/78/79/29/705787929.db2.gz MZODTGJQJZKQFU-UHFFFAOYSA-N -1 3 314.261 1.631 20 5 DDBDHM CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828336859 706162573 /nfs/dbraw/zinc/16/25/73/706162573.db2.gz IINFYWMCVNVRPA-GFCCVEGCSA-N -1 3 309.322 1.658 20 5 DDBDHM COc1cc(N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000910459042 709953815 /nfs/dbraw/zinc/95/38/15/709953815.db2.gz WSDFVMZKXRUQBA-LLVKDONJSA-N -1 3 323.349 1.589 20 5 DDBDHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000923270520 714291998 /nfs/dbraw/zinc/29/19/98/714291998.db2.gz BIKIROMFSOFARP-CMPLNLGQSA-N -1 3 305.334 1.609 20 5 DDBDHM Cn1cc([C@@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nn1 ZINC001187872510 744630268 /nfs/dbraw/zinc/63/02/68/744630268.db2.gz YWPKQGIHMOZBBP-SECBINFHSA-N -1 3 304.310 1.208 20 5 DDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(N3CCOCC3)n2)c1 ZINC001199814721 748008309 /nfs/dbraw/zinc/00/83/09/748008309.db2.gz NWBHDNMPOXYHNS-UHFFFAOYSA-N -1 3 317.305 1.671 20 5 DDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001106982779 748476817 /nfs/dbraw/zinc/47/68/17/748476817.db2.gz RBWDVZWNFDZPHP-UHFFFAOYSA-N -1 3 319.321 1.598 20 5 DDBDHM CC(C)CC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095465222 749922138 /nfs/dbraw/zinc/92/21/38/749922138.db2.gz QLXFNJIPCGITQB-UHFFFAOYSA-N -1 3 310.354 1.684 20 5 DDBDHM C/C=C(/C)C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095530953 750014201 /nfs/dbraw/zinc/01/42/01/750014201.db2.gz KTHHAOHLFJQTRC-WMZJFQQLSA-N -1 3 308.338 1.604 20 5 DDBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(F)ccn2)no1 ZINC001212937276 750962415 /nfs/dbraw/zinc/96/24/15/750962415.db2.gz WNVXYJXZCWUUQG-UHFFFAOYSA-N -1 3 303.209 1.947 20 5 DDBDHM C/C=C(\C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109419836 763685177 /nfs/dbraw/zinc/68/51/77/763685177.db2.gz GXVAEFFVBPPYDE-ONNFQVAWSA-N -1 3 308.338 1.922 20 5 DDBDHM O=C(CC1CC1)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091307612 772673194 /nfs/dbraw/zinc/67/31/94/772673194.db2.gz MGGJBUAMMFPLBN-PHIMTYICSA-N -1 3 320.349 1.802 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ncccc1F ZINC001093805067 775093096 /nfs/dbraw/zinc/09/30/96/775093096.db2.gz JNIAUEULMZKSFS-UHFFFAOYSA-N -1 3 321.268 1.071 20 5 DDBDHM CN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1cnc[n-]c1=O ZINC001101838312 777587239 /nfs/dbraw/zinc/58/72/39/777587239.db2.gz UWZLVPHVKPTQNE-UHFFFAOYSA-N -1 3 317.305 1.275 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001101899331 777659101 /nfs/dbraw/zinc/65/91/01/777659101.db2.gz DEUSPDVTWMSEDO-URLYPYJESA-N -1 3 320.349 1.612 20 5 DDBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001334930376 867918667 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DDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343490638 282678674 /nfs/dbraw/zinc/67/86/74/282678674.db2.gz AICCAJIOYRVEFJ-ZETCQYMHSA-N -1 3 308.381 1.668 20 5 DDBDHM COC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060496464 352874083 /nfs/dbraw/zinc/87/40/83/352874083.db2.gz ZLWJLVHIDLDSOL-JTQLQIEISA-N -1 3 302.352 1.525 20 5 DDBDHM CC[C@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000319913370 354523825 /nfs/dbraw/zinc/52/38/25/354523825.db2.gz IWEKBXFAPAJXPJ-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000586877117 354877614 /nfs/dbraw/zinc/87/76/14/354877614.db2.gz DVGKQZONXJLIKM-UHFFFAOYSA-N -1 3 324.728 1.993 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590590825 355122496 /nfs/dbraw/zinc/12/24/96/355122496.db2.gz DLLJJCQJGYGBQZ-VIFPVBQESA-N -1 3 320.342 1.746 20 5 DDBDHM CS(=O)(=O)c1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000075475831 191477166 /nfs/dbraw/zinc/47/71/66/191477166.db2.gz LOJKHTVWEBBEQH-UHFFFAOYSA-N -1 3 310.287 1.844 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000592106867 355501666 /nfs/dbraw/zinc/50/16/66/355501666.db2.gz QRSQRDMDJDAHET-BDAKNGLRSA-N -1 3 316.335 1.059 20 5 DDBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000592077666 355487341 /nfs/dbraw/zinc/48/73/41/355487341.db2.gz OQLBDUYPLZLHCC-VIFPVBQESA-N -1 3 316.335 1.072 20 5 DDBDHM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593526117 355914044 /nfs/dbraw/zinc/91/40/44/355914044.db2.gz HHHZIRFRHSCVAX-ZCFIWIBFSA-N -1 3 322.364 1.195 20 5 DDBDHM CCOCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593535301 355917024 /nfs/dbraw/zinc/91/70/24/355917024.db2.gz XAZHJPHYEMZLGN-UHFFFAOYSA-N -1 3 303.340 1.085 20 5 DDBDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000593608894 355941107 /nfs/dbraw/zinc/94/11/07/355941107.db2.gz NZFGCELNNROPTR-QPUJVOFHSA-N -1 3 315.351 1.082 20 5 DDBDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593561389 355926273 /nfs/dbraw/zinc/92/62/73/355926273.db2.gz BPXYSOYEJBOJMN-ZJUUUORDSA-N -1 3 315.351 1.083 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)nc1 ZINC000593587108 355934426 /nfs/dbraw/zinc/93/44/26/355934426.db2.gz SAJGLFMTCAZXLO-MRVPVSSYSA-N -1 3 303.365 1.021 20 5 DDBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000594796828 356320158 /nfs/dbraw/zinc/32/01/58/356320158.db2.gz UMNZLGQDKDDSFI-SECBINFHSA-N -1 3 300.336 1.441 20 5 DDBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)O1 ZINC000594852223 356337455 /nfs/dbraw/zinc/33/74/55/356337455.db2.gz ORGOHYONJYAZGZ-ONGXEEELSA-N -1 3 315.351 1.226 20 5 DDBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595883515 356690528 /nfs/dbraw/zinc/69/05/28/356690528.db2.gz CMODIQWFIMQXNQ-JVLSTEMRSA-N -1 3 306.318 1.689 20 5 DDBDHM Cn1nc2c(c1CNc1cc[n-]c(=O)c1[N+](=O)[O-])CCCC2 ZINC000596242605 356829594 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3 313.310 1.622 20 5 DDBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1ccccc1[O-] ZINC000358923263 299282476 /nfs/dbraw/zinc/28/24/76/299282476.db2.gz OKKBDUBKIZPMDX-UHFFFAOYSA-N -1 3 323.692 1.754 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000188316303 200226724 /nfs/dbraw/zinc/22/67/24/200226724.db2.gz BTAMXTRNRCKNDW-MNOVXSKESA-N -1 3 314.363 1.343 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609619353 360336155 /nfs/dbraw/zinc/33/61/55/360336155.db2.gz AJOHFDLCMZJOBU-VIFPVBQESA-N -1 3 324.724 1.490 20 5 DDBDHM COCC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619491630 364034842 /nfs/dbraw/zinc/03/48/42/364034842.db2.gz COQSKGYCQUHGLS-UHFFFAOYSA-N -1 3 316.335 1.061 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275034411 212085887 /nfs/dbraw/zinc/08/58/87/212085887.db2.gz CWGULHAIIPZHSL-JGVFFNPUSA-N -1 3 318.326 1.677 20 5 DDBDHM CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274876890 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/nfs/dbraw/zinc/90/71/48/760907148.db2.gz NFWQRAHKRNAHOG-UHFFFAOYSA-N -1 3 324.312 1.094 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001093453580 774712429 /nfs/dbraw/zinc/71/24/29/774712429.db2.gz JTPZLEMSGQVGBL-UHFFFAOYSA-N -1 3 302.290 1.537 20 5 DDBDHM Cc1ccc(NCCNC(=O)c2cnc[n-]c2=O)c([N+](=O)[O-])c1 ZINC001093942256 775244573 /nfs/dbraw/zinc/24/45/73/775244573.db2.gz RKJGZHDSZLHYRH-UHFFFAOYSA-N -1 3 317.305 1.241 20 5 DDBDHM Cc1c[nH]cc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100123059 775707870 /nfs/dbraw/zinc/70/78/70/775707870.db2.gz DGJRXHBHMYEMDB-UHFFFAOYSA-N -1 3 319.321 1.198 20 5 DDBDHM Cc1nocc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101945063 777710749 /nfs/dbraw/zinc/71/07/49/777710749.db2.gz YTZKWKGNLPJBOF-UHFFFAOYSA-N -1 3 321.293 1.176 20 5 DDBDHM COc1c([O-])ccc(CN(C)CC(=O)NC(C)C)c1[N+](=O)[O-] ZINC001180513564 779795900 /nfs/dbraw/zinc/79/59/00/779795900.db2.gz IBKJSMWMTKVXJF-UHFFFAOYSA-N -1 3 311.338 1.265 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CCF)C(=O)[O-] ZINC001327575024 862286008 /nfs/dbraw/zinc/28/60/08/862286008.db2.gz ORGYNMZAVFRHAX-LLVKDONJSA-N -1 3 300.286 1.896 20 5 DDBDHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1ccccc1[N+](=O)[O-] ZINC001321130063 867341609 /nfs/dbraw/zinc/34/16/09/867341609.db2.gz OYIBEHUCRYDHQD-UHFFFAOYSA-N -1 3 324.300 1.882 20 5 DDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CN(C)CC3)n1 ZINC001324670852 867441868 /nfs/dbraw/zinc/44/18/68/867441868.db2.gz CEIHUJMLVKXJMN-UHFFFAOYSA-N -1 3 322.350 1.025 20 5 DDBDHM O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164330934 869130551 /nfs/dbraw/zinc/13/05/51/869130551.db2.gz VNIPYEVCHQPQPF-MRVPVSSYSA-N -1 3 320.280 1.792 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1N ZINC001209936888 875174409 /nfs/dbraw/zinc/17/44/09/875174409.db2.gz YESYTTNDVUCCDS-UHFFFAOYSA-N -1 3 322.346 1.868 20 5 DDBDHM C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1(=O)=O ZINC001307215653 916542581 /nfs/dbraw/zinc/54/25/81/916542581.db2.gz KMNHININPITQES-YUMQZZPRSA-N -1 3 301.324 1.073 20 5 DDBDHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451976054 529711798 /nfs/dbraw/zinc/71/17/98/529711798.db2.gz MBOCJVUYLIDCHY-WPRPVWTQSA-N -1 3 322.408 1.793 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157720636 290732528 /nfs/dbraw/zinc/73/25/28/290732528.db2.gz POIOPKJWZUBKDM-JQWIXIFHSA-N -1 3 314.363 1.831 20 5 DDBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000228560369 201817558 /nfs/dbraw/zinc/81/75/58/201817558.db2.gz UQFPAQSUKOZARF-LBPRGKRZSA-N -1 3 320.342 1.563 20 5 DDBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000343968900 282745377 /nfs/dbraw/zinc/74/53/77/282745377.db2.gz HJBZLFADBSGPFN-CABZTGNLSA-N -1 3 300.336 1.441 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000344841300 282847249 /nfs/dbraw/zinc/84/72/49/282847249.db2.gz CSNJWCMXVXZOHA-VIFPVBQESA-N -1 3 322.408 1.508 20 5 DDBDHM Cc1ncc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000345140313 282934640 /nfs/dbraw/zinc/93/46/40/282934640.db2.gz ZGFOLAUBPSBFFH-UHFFFAOYSA-N -1 3 316.317 1.648 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000592975955 355759457 /nfs/dbraw/zinc/75/94/57/355759457.db2.gz AIZDUHZNQBTXLW-MNOVXSKESA-N -1 3 320.349 1.669 20 5 DDBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593607032 355940776 /nfs/dbraw/zinc/94/07/76/355940776.db2.gz CVSGPXMAILVSFX-ONGXEEELSA-N -1 3 315.351 1.226 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)nc1 ZINC000593566926 355927796 /nfs/dbraw/zinc/92/77/96/355927796.db2.gz JWVACRHOZCSTMM-UHFFFAOYSA-N -1 3 311.363 1.848 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC2(C)COC2)c([N+](=O)[O-])s1 ZINC000601342843 358507628 /nfs/dbraw/zinc/50/76/28/358507628.db2.gz HNSIKWVVHQACRR-UHFFFAOYSA-N -1 3 306.365 1.280 20 5 DDBDHM O=C(c1ccco1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596054978 356754689 /nfs/dbraw/zinc/75/46/89/356754689.db2.gz BWPBOFSUBHSKEF-UHFFFAOYSA-N -1 3 318.289 1.251 20 5 DDBDHM O=c1[n-]ccc(N[C@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596099450 356771116 /nfs/dbraw/zinc/77/11/16/356771116.db2.gz WJQYHAFJLKQJGP-ZETCQYMHSA-N -1 3 306.244 1.744 20 5 DDBDHM CN1CC[C@@]2(C1)CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000597712904 357298139 /nfs/dbraw/zinc/29/81/39/357298139.db2.gz AECWSVYPPWZXAF-MRXNPFEDSA-N -1 3 319.361 1.858 20 5 DDBDHM CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000597921770 357382914 /nfs/dbraw/zinc/38/29/14/357382914.db2.gz ALTBHGXOMRSXDN-LLVKDONJSA-N -1 3 307.350 1.903 20 5 DDBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000599511479 357960033 /nfs/dbraw/zinc/96/00/33/357960033.db2.gz NVPOFPNNVYZNPS-XYPYZODXSA-N -1 3 314.363 1.667 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000601431423 358550212 /nfs/dbraw/zinc/55/02/12/358550212.db2.gz MUPNPQMTGZDLMO-VIFPVBQESA-N -1 3 319.358 1.271 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)c(F)c1 ZINC000266361349 205292496 /nfs/dbraw/zinc/29/24/96/205292496.db2.gz ZGSRIKXOLLZQTA-SSDOTTSWSA-N -1 3 306.340 1.518 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000352470118 285074278 /nfs/dbraw/zinc/07/42/78/285074278.db2.gz HVRKUQTVXOVOHR-SECBINFHSA-N -1 3 314.363 1.928 20 5 DDBDHM CN(CC(=O)NCc1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000352516920 285108288 /nfs/dbraw/zinc/10/82/88/285108288.db2.gz NJXMIHDTMJTBGE-UHFFFAOYSA-N -1 3 316.317 1.448 20 5 DDBDHM COc1cc(C(=O)[N-]c2nc3n(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000457147668 533559625 /nfs/dbraw/zinc/55/96/25/533559625.db2.gz MQWSXSXGWCFHID-UHFFFAOYSA-N -1 3 317.305 1.784 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCOC2)cc1C ZINC000171540087 291992701 /nfs/dbraw/zinc/99/27/01/291992701.db2.gz WENYFWNHOYXMGE-LLVKDONJSA-N -1 3 314.363 1.669 20 5 DDBDHM CCn1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000014249519 406874254 /nfs/dbraw/zinc/87/42/54/406874254.db2.gz JFXMYSRXXRCAPA-UHFFFAOYSA-N -1 3 310.335 1.290 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O ZINC000089166182 407126635 /nfs/dbraw/zinc/12/66/35/407126635.db2.gz IWAPHLWYKHVQOH-JQWIXIFHSA-N -1 3 314.363 1.343 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000123784782 407339057 /nfs/dbraw/zinc/33/90/57/407339057.db2.gz GTWGAAZSUDWTGG-MRVPVSSYSA-N -1 3 306.365 1.422 20 5 DDBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178829631 407616979 /nfs/dbraw/zinc/61/69/79/407616979.db2.gz CEIHXECTTRFGML-UHFFFAOYSA-N -1 3 302.352 1.282 20 5 DDBDHM CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186497202 407683691 /nfs/dbraw/zinc/68/36/91/407683691.db2.gz RHSLAMBBTFZCFL-NSHDSACASA-N -1 3 307.350 1.714 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273459889 408208084 /nfs/dbraw/zinc/20/80/84/408208084.db2.gz VSIHAZDRVXUOEI-JOYOIKCWSA-N -1 3 305.334 1.513 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000191219447 408387308 /nfs/dbraw/zinc/38/73/08/408387308.db2.gz FGIWFRMWIWCJAX-ZETCQYMHSA-N -1 3 308.743 1.561 20 5 DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000160310655 408467208 /nfs/dbraw/zinc/46/72/08/408467208.db2.gz IAFOJFFSKDLOBY-SNVBAGLBSA-N -1 3 302.352 1.607 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000270649294 408619924 /nfs/dbraw/zinc/61/99/24/408619924.db2.gz QDKATTFVYCMSOM-WPRPVWTQSA-N -1 3 316.335 1.059 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2cc(C(=O)OC)cs2)c1[N+](=O)[O-] ZINC000177986973 408749515 /nfs/dbraw/zinc/74/95/15/408749515.db2.gz ATJZFZLPVPGCCT-UHFFFAOYSA-N -1 3 324.318 1.981 20 5 DDBDHM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN(C2CC2)C1 ZINC000295222084 409382640 /nfs/dbraw/zinc/38/26/40/409382640.db2.gz APZAIAHKJQKZDP-NSHDSACASA-N -1 3 319.361 1.857 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000342548433 409712947 /nfs/dbraw/zinc/71/29/47/409712947.db2.gz HYZLZVGXDXMROR-MRVPVSSYSA-N -1 3 322.408 1.652 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000342500797 409683149 /nfs/dbraw/zinc/68/31/49/409683149.db2.gz CZSDSYUILKZVFT-SECBINFHSA-N -1 3 320.392 1.670 20 5 DDBDHM CCc1oc(C(=O)[N-]c2c([N+](=O)[O-])cnn2C)cc1C(=O)OC ZINC000338464325 410006607 /nfs/dbraw/zinc/00/66/07/410006607.db2.gz UNMOUJSMMRPFOZ-UHFFFAOYSA-N -1 3 322.277 1.523 20 5 DDBDHM Cn1cnc([N+](=O)[O-])c1CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000357777681 410244696 /nfs/dbraw/zinc/24/46/96/410244696.db2.gz FUOIITATLMQVBG-AXFHLTTASA-N -1 3 308.338 1.546 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000337770952 410991960 /nfs/dbraw/zinc/99/19/60/410991960.db2.gz FMKNEQOETKXOAE-LLVKDONJSA-N -1 3 324.362 1.467 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000360256297 411114246 /nfs/dbraw/zinc/11/42/46/411114246.db2.gz FKMBFQJJFSNNOS-LLVKDONJSA-N -1 3 313.379 1.194 20 5 DDBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000132896766 196294681 /nfs/dbraw/zinc/29/46/81/196294681.db2.gz JEJXONPFDVEENC-SSDOTTSWSA-N -1 3 310.289 1.496 20 5 DDBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000132896766 196294683 /nfs/dbraw/zinc/29/46/83/196294683.db2.gz JEJXONPFDVEENC-SSDOTTSWSA-N -1 3 310.289 1.496 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cnn(C)c1 ZINC000360474027 418444541 /nfs/dbraw/zinc/44/45/41/418444541.db2.gz MNTXWMNSQSSABK-SSDOTTSWSA-N -1 3 316.364 1.429 20 5 DDBDHM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000373834691 418465231 /nfs/dbraw/zinc/46/52/31/418465231.db2.gz GEYNFSCJKDDIEB-NSHDSACASA-N -1 3 305.334 1.611 20 5 DDBDHM CN(CCCC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430661154 420173875 /nfs/dbraw/zinc/17/38/75/420173875.db2.gz PBMXJSDYZBXJMY-CYBMUJFWSA-N -1 3 321.333 1.497 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000440370956 420571869 /nfs/dbraw/zinc/57/18/69/420571869.db2.gz JOQWJQVCNAABAV-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000581380603 421960409 /nfs/dbraw/zinc/96/04/09/421960409.db2.gz ZSCSEMSXPYJGHJ-JTQLQIEISA-N -1 3 321.337 1.701 20 5 DDBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000345533522 272275532 /nfs/dbraw/zinc/27/55/32/272275532.db2.gz DWFGKDRTDOIQDQ-UHFFFAOYSA-N -1 3 309.303 1.805 20 5 DDBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1CC(C)C ZINC000346697038 272521241 /nfs/dbraw/zinc/52/12/41/272521241.db2.gz ZRMCKIFJAGUVLM-UHFFFAOYSA-N -1 3 318.337 1.993 20 5 DDBDHM CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)C1 ZINC000293926936 290004312 /nfs/dbraw/zinc/00/43/12/290004312.db2.gz IXHVNKBWNPQNOV-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000277954286 297140077 /nfs/dbraw/zinc/14/00/77/297140077.db2.gz RPUBOMXZHGKINZ-ZJUUUORDSA-N -1 3 300.336 1.298 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376406829 302074424 /nfs/dbraw/zinc/07/44/24/302074424.db2.gz KJVZVGAUFGRNKT-NWDGAFQWSA-N -1 3 319.361 1.999 20 5 DDBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000546641014 303514565 /nfs/dbraw/zinc/51/45/65/303514565.db2.gz JIJKHSOTGFIABO-VIFPVBQESA-N -1 3 322.408 1.914 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000183391173 304810182 /nfs/dbraw/zinc/81/01/82/304810182.db2.gz CMGIDPCWRNSDEN-SNVBAGLBSA-N -1 3 300.336 1.442 20 5 DDBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000362364235 307018751 /nfs/dbraw/zinc/01/87/51/307018751.db2.gz HJKMMMYRTSWNJL-UHFFFAOYSA-N -1 3 317.257 1.701 20 5 DDBDHM Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375968844 307236785 /nfs/dbraw/zinc/23/67/85/307236785.db2.gz LLUHGWSSQJIINS-NEPJUHHUSA-N -1 3 321.333 1.787 20 5 DDBDHM CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436941020 484129839 /nfs/dbraw/zinc/12/98/39/484129839.db2.gz ZJJSRAAZZYCNGB-LLVKDONJSA-N -1 3 307.350 1.903 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)c1 ZINC000738371677 598978286 /nfs/dbraw/zinc/97/82/86/598978286.db2.gz WJIRXCWHSYWVAF-TVQRCGJNSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@H]2O)c(-c2nn[n-]n2)c1 ZINC000738371677 598978287 /nfs/dbraw/zinc/97/82/87/598978287.db2.gz WJIRXCWHSYWVAF-TVQRCGJNSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000738370744 598310970 /nfs/dbraw/zinc/31/09/70/598310970.db2.gz PXWVKXSFJGETPG-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000738370744 598310972 /nfs/dbraw/zinc/31/09/72/598310972.db2.gz PXWVKXSFJGETPG-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])c(N)n1 ZINC000737221780 598551211 /nfs/dbraw/zinc/55/12/11/598551211.db2.gz REZUYMRVYGAZDD-UHFFFAOYSA-N -1 3 314.265 1.248 20 5 DDBDHM CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736963717 598553278 /nfs/dbraw/zinc/55/32/78/598553278.db2.gz WCPBBWXKDWFGGB-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736963717 598553280 /nfs/dbraw/zinc/55/32/80/598553280.db2.gz WCPBBWXKDWFGGB-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736142089 598679588 /nfs/dbraw/zinc/67/95/88/598679588.db2.gz CPZBDBBREODNHO-VIFPVBQESA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736142089 598679589 /nfs/dbraw/zinc/67/95/89/598679589.db2.gz CPZBDBBREODNHO-VIFPVBQESA-N -1 3 318.337 1.372 20 5 DDBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736843443 599318320 /nfs/dbraw/zinc/31/83/20/599318320.db2.gz MHQSLEZALKUHMB-UHFFFAOYSA-N -1 3 303.326 1.939 20 5 DDBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736843443 599318322 /nfs/dbraw/zinc/31/83/22/599318322.db2.gz MHQSLEZALKUHMB-UHFFFAOYSA-N -1 3 303.326 1.939 20 5 DDBDHM CCC(O)(CC)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000825152541 609186235 /nfs/dbraw/zinc/18/62/35/609186235.db2.gz BFNKYAQOTBJIJP-UHFFFAOYSA-N -1 3 307.310 1.705 20 5 DDBDHM CCC(O)(CC)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000825152541 609186237 /nfs/dbraw/zinc/18/62/37/609186237.db2.gz BFNKYAQOTBJIJP-UHFFFAOYSA-N -1 3 307.310 1.705 20 5 DDBDHM CCC(O)(CC)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825153743 609186315 /nfs/dbraw/zinc/18/63/15/609186315.db2.gz JDLDHZOBSCLZHI-UHFFFAOYSA-N -1 3 307.310 1.705 20 5 DDBDHM CCC(O)(CC)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825153743 609186316 /nfs/dbraw/zinc/18/63/16/609186316.db2.gz JDLDHZOBSCLZHI-UHFFFAOYSA-N -1 3 307.310 1.705 20 5 DDBDHM CCOCCO[N-]C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773145648 697718703 /nfs/dbraw/zinc/71/87/03/697718703.db2.gz QGIFOIALKPYQCK-UHFFFAOYSA-N -1 3 321.289 1.547 20 5 DDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1F ZINC000774876063 697936880 /nfs/dbraw/zinc/93/68/80/697936880.db2.gz AKVNIXXWVKJTQD-UHFFFAOYSA-N -1 3 315.282 1.842 20 5 DDBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cnn[n-]1 ZINC000805602876 701397531 /nfs/dbraw/zinc/39/75/31/701397531.db2.gz DBRPNWSEYZQONO-UHFFFAOYSA-N -1 3 316.233 1.120 20 5 DDBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c[n-]nn1 ZINC000805602876 701397532 /nfs/dbraw/zinc/39/75/32/701397532.db2.gz DBRPNWSEYZQONO-UHFFFAOYSA-N -1 3 316.233 1.120 20 5 DDBDHM CCCO[N-]C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000844090368 702970437 /nfs/dbraw/zinc/97/04/37/702970437.db2.gz ORBRSSVMZHIKOL-UHFFFAOYSA-N -1 3 302.308 1.070 20 5 DDBDHM O=c1[n-]ccc(N2CCC[C@H](N3CCCCC3=O)C2)c1[N+](=O)[O-] ZINC000853321123 704233791 /nfs/dbraw/zinc/23/37/91/704233791.db2.gz KFZWTZUGTAHNES-NSHDSACASA-N -1 3 320.349 1.677 20 5 DDBDHM Cc1noc(CO[N-]C(=O)CCOc2ccccc2)c1[N+](=O)[O-] ZINC000853667104 704296053 /nfs/dbraw/zinc/29/60/53/704296053.db2.gz SRKZSKHFQOFLCQ-UHFFFAOYSA-N -1 3 321.289 1.908 20 5 DDBDHM CO[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826146787 705778150 /nfs/dbraw/zinc/77/81/50/705778150.db2.gz DBXUMBSEWZNZNQ-SNVBAGLBSA-N -1 3 319.325 1.175 20 5 DDBDHM CO[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826146787 705778154 /nfs/dbraw/zinc/77/81/54/705778154.db2.gz DBXUMBSEWZNZNQ-SNVBAGLBSA-N -1 3 319.325 1.175 20 5 DDBDHM CN(CCN1CCCCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910357829 709908432 /nfs/dbraw/zinc/90/84/32/709908432.db2.gz NZSHJYPCIWDYFJ-UHFFFAOYSA-N -1 3 308.338 1.610 20 5 DDBDHM CCC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107503558 750058346 /nfs/dbraw/zinc/05/83/46/750058346.db2.gz SPXUTLQJIAOKPY-ARJAWSKDSA-N -1 3 320.349 1.970 20 5 DDBDHM CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC001110967474 750261183 /nfs/dbraw/zinc/26/11/83/750261183.db2.gz MUXYERYCQSQLHZ-UHFFFAOYSA-N -1 3 324.337 1.183 20 5 DDBDHM C/C=C(/C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109419837 763685516 /nfs/dbraw/zinc/68/55/16/763685516.db2.gz GXVAEFFVBPPYDE-WMZJFQQLSA-N -1 3 308.338 1.922 20 5 DDBDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001149262775 861505920 /nfs/dbraw/zinc/50/59/20/861505920.db2.gz OMFLNUNTKJFVFD-LLVKDONJSA-N -1 3 304.306 1.145 20 5 DDBDHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001150369839 862198726 /nfs/dbraw/zinc/19/87/26/862198726.db2.gz YWMBVRDDXYYUCQ-AWEZNQCLSA-N -1 3 320.276 1.789 20 5 DDBDHM Cc1nc(Cl)c([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156279179 862899720 /nfs/dbraw/zinc/89/97/20/862899720.db2.gz SYOFKZQAKWXETB-SSDOTTSWSA-N -1 3 312.717 1.271 20 5 DDBDHM Cc1ncoc1C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC001475761817 870142877 /nfs/dbraw/zinc/14/28/77/870142877.db2.gz XMYINLCAXOJZNG-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM COc1cnc(=O)[n-]c1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226823690 882671356 /nfs/dbraw/zinc/67/13/56/882671356.db2.gz VVVASUDKGORFDR-LLVKDONJSA-N -1 3 303.274 1.645 20 5 DDBDHM CN(CC(C)(C)C)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001344332113 872981240 /nfs/dbraw/zinc/98/12/40/872981240.db2.gz MRFPSIJOPSATEC-UHFFFAOYSA-N -1 3 320.353 1.973 20 5 DDBDHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001300195237 877116469 /nfs/dbraw/zinc/11/64/69/877116469.db2.gz RAWIVCJIWNFAGB-UHFFFAOYSA-N -1 3 306.303 1.309 20 5 DDBDHM COC(=O)[C@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692528 883136640 /nfs/dbraw/zinc/13/66/40/883136640.db2.gz ZJKYIQSXRWAHLW-IUCAKERBSA-N -1 3 320.305 1.977 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000451718502 231172265 /nfs/dbraw/zinc/17/22/65/231172265.db2.gz PSJUQBIKGLBHNR-BDAKNGLRSA-N -1 3 320.392 1.404 20 5 DDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360236045 306978320 /nfs/dbraw/zinc/97/83/20/306978320.db2.gz YSBNFRMDUKREHY-LLVKDONJSA-N -1 3 316.379 1.915 20 5 DDBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343154 352491032 /nfs/dbraw/zinc/49/10/32/352491032.db2.gz VHCFQVKZSANSPN-UHFFFAOYSA-N -1 3 324.300 1.378 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000492088367 234381668 /nfs/dbraw/zinc/38/16/68/234381668.db2.gz UEXBWICSEAQRIF-SREVYHEPSA-N -1 3 316.273 1.756 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000492149980 234399644 /nfs/dbraw/zinc/39/96/44/234399644.db2.gz HIIKTURUVNDVLL-NEPJUHHUSA-N -1 3 314.363 1.341 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCO)c(F)cc1[N+](=O)[O-] ZINC000590591286 355122122 /nfs/dbraw/zinc/12/21/22/355122122.db2.gz SPEXKSAEVXSNJD-VIFPVBQESA-N -1 3 320.342 1.482 20 5 DDBDHM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592829311 355706257 /nfs/dbraw/zinc/70/62/57/355706257.db2.gz NLFCVFMVOWPPGW-LBPRGKRZSA-N -1 3 307.350 1.857 20 5 DDBDHM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C ZINC000592749167 355674404 /nfs/dbraw/zinc/67/44/04/355674404.db2.gz HNQJUUULKXHYDK-SSDOTTSWSA-N -1 3 301.730 1.634 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccncn1 ZINC000346529824 283116044 /nfs/dbraw/zinc/11/60/44/283116044.db2.gz BWAGFGHHWPQDRX-UHFFFAOYSA-N -1 3 308.319 1.172 20 5 DDBDHM COCCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593099757 355796931 /nfs/dbraw/zinc/79/69/31/355796931.db2.gz CZCXTWSXYKKGCP-UHFFFAOYSA-N -1 3 323.393 1.843 20 5 DDBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593613671 355942679 /nfs/dbraw/zinc/94/26/79/355942679.db2.gz VTBJDEWARFPSKV-NXEZZACHSA-N -1 3 317.367 1.065 20 5 DDBDHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080310464 192022914 /nfs/dbraw/zinc/02/29/14/192022914.db2.gz HNICIGHUNRJYTC-UHFFFAOYSA-N -1 3 323.330 1.403 20 5 DDBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)O1 ZINC000594852221 356337474 /nfs/dbraw/zinc/33/74/74/356337474.db2.gz ORGOHYONJYAZGZ-KOLCDFICSA-N -1 3 315.351 1.226 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC2(C)COC2)c(F)cc1[N+](=O)[O-] ZINC000601344332 358508497 /nfs/dbraw/zinc/50/84/97/358508497.db2.gz XOFGHBFQYDQNHN-UHFFFAOYSA-N -1 3 318.326 1.357 20 5 DDBDHM O=c1[n-]ccc(Sc2nnnn2C2CCOCC2)c1[N+](=O)[O-] ZINC000596114563 356776450 /nfs/dbraw/zinc/77/64/50/356776450.db2.gz FMFPNYAWSDICPZ-UHFFFAOYSA-N -1 3 324.322 1.185 20 5 DDBDHM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596146137 356790762 /nfs/dbraw/zinc/79/07/62/356790762.db2.gz QNDPDWYBRINRPZ-RKDXNWHRSA-N -1 3 315.351 1.463 20 5 DDBDHM O=c1[n-]ccc(N2CC[C@@H](OCc3ccccn3)C2)c1[N+](=O)[O-] ZINC000596166558 356799802 /nfs/dbraw/zinc/79/98/02/356799802.db2.gz WCCBAORGDSRYKA-GFCCVEGCSA-N -1 3 316.317 1.886 20 5 DDBDHM CN(C)C(=O)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596185122 356805783 /nfs/dbraw/zinc/80/57/83/356805783.db2.gz CHUCIGVJFOWPKI-UHFFFAOYSA-N -1 3 308.338 1.390 20 5 DDBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000596249027 356832007 /nfs/dbraw/zinc/83/20/07/356832007.db2.gz OZOCCDHCTXSEJV-TUAOUCFPSA-N -1 3 319.321 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/nfs/dbraw/zinc/38/34/20/357383420.db2.gz PJGSBLBUKDLQJB-SNVBAGLBSA-N -1 3 307.350 1.903 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000599477460 357950324 /nfs/dbraw/zinc/95/03/24/357950324.db2.gz KDEPJXPPSLCDBA-OTSSQURYSA-N -1 3 320.754 1.297 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601476694 358570162 /nfs/dbraw/zinc/57/01/62/358570162.db2.gz XPLHWDIMEFXDFL-UHFFFAOYSA-N -1 3 324.305 1.769 20 5 DDBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCNC1 ZINC000237852021 202370545 /nfs/dbraw/zinc/37/05/45/202370545.db2.gz UVNQGIXXKOZHRZ-MRVPVSSYSA-N -1 3 319.770 1.279 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000188905428 200319649 /nfs/dbraw/zinc/31/96/49/200319649.db2.gz ISSUXUKJHXBOKN-QWRGUYRKSA-N -1 3 314.363 1.424 20 5 DDBDHM CNC(=O)Cn1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000359079034 299322358 /nfs/dbraw/zinc/32/23/58/299322358.db2.gz ARRZTIUIOUJPRH-UHFFFAOYSA-N -1 3 304.310 1.293 20 5 DDBDHM Cc1cc(N2CCO[C@@H](CN(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566739703 304178137 /nfs/dbraw/zinc/17/81/37/304178137.db2.gz IDTMYYXAAYBZLK-LBPRGKRZSA-N -1 3 323.349 1.368 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(F)F)cc1[N+](=O)[O-] ZINC000567526148 304225255 /nfs/dbraw/zinc/22/52/55/304225255.db2.gz SKOHKGIJQCCXFN-UHFFFAOYSA-N -1 3 310.278 1.537 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@H](C)O)c1C ZINC000340819445 251227111 /nfs/dbraw/zinc/22/71/11/251227111.db2.gz KLKZNXUWAOGSQT-ZJUUUORDSA-N -1 3 316.379 1.649 20 5 DDBDHM COc1cccc(C(=O)NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC000352509931 285101042 /nfs/dbraw/zinc/10/10/42/285101042.db2.gz QNIMDTVQVRIBBI-UHFFFAOYSA-N -1 3 303.274 1.634 20 5 DDBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1C1CC1 ZINC000158160902 197248536 /nfs/dbraw/zinc/24/85/36/197248536.db2.gz XCMZBLGOWDPKEB-ZJUUUORDSA-N -1 3 305.334 1.655 20 5 DDBDHM COc1nnc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[n-]1 ZINC000352678721 285219554 /nfs/dbraw/zinc/21/95/54/285219554.db2.gz FTPJZEFBBSBMGD-UHFFFAOYSA-N -1 3 302.250 1.455 20 5 DDBDHM COc1nc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[n-]1 ZINC000352678721 285219556 /nfs/dbraw/zinc/21/95/56/285219556.db2.gz FTPJZEFBBSBMGD-UHFFFAOYSA-N -1 3 302.250 1.455 20 5 DDBDHM COc1n[n-]c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000352678721 285219558 /nfs/dbraw/zinc/21/95/58/285219558.db2.gz FTPJZEFBBSBMGD-UHFFFAOYSA-N -1 3 302.250 1.455 20 5 DDBDHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000120779371 195236600 /nfs/dbraw/zinc/23/66/00/195236600.db2.gz HDPHLGUGHHLZTO-NXEZZACHSA-N -1 3 302.352 1.280 20 5 DDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000121127418 195296403 /nfs/dbraw/zinc/29/64/03/195296403.db2.gz PVVBRCDXLVBMRA-UHFFFAOYSA-N -1 3 300.234 1.620 20 5 DDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000121127418 195296404 /nfs/dbraw/zinc/29/64/04/195296404.db2.gz PVVBRCDXLVBMRA-UHFFFAOYSA-N -1 3 300.234 1.620 20 5 DDBDHM C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000076380785 406966730 /nfs/dbraw/zinc/96/67/30/406966730.db2.gz OBIONURPKDLJLW-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029093329 406920321 /nfs/dbraw/zinc/92/03/21/406920321.db2.gz SPVWMBSWXFWFKL-UHFFFAOYSA-N -1 3 306.322 1.052 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCCO ZINC000094947073 407204643 /nfs/dbraw/zinc/20/46/43/407204643.db2.gz FKHZQQFXOFHKBL-JTQLQIEISA-N -1 3 302.352 1.343 20 5 DDBDHM CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186401027 407655908 /nfs/dbraw/zinc/65/59/08/407655908.db2.gz DUTKEKWIKOFQQL-NSHDSACASA-N -1 3 307.350 1.714 20 5 DDBDHM C[C@H](CO)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000230151937 407681184 /nfs/dbraw/zinc/68/11/84/407681184.db2.gz LWIJGLWKQGNJGV-JTQLQIEISA-N -1 3 302.352 1.282 20 5 DDBDHM C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269301476 408261265 /nfs/dbraw/zinc/26/12/65/408261265.db2.gz USIPWXOTPRHTAA-HZMBPMFUSA-N -1 3 307.350 1.713 20 5 DDBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264533267 408525572 /nfs/dbraw/zinc/52/55/72/408525572.db2.gz YYFNJFKEJDKAGE-LLVKDONJSA-N -1 3 320.349 1.396 20 5 DDBDHM C[C@@H]1CCNC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193407623 408716107 /nfs/dbraw/zinc/71/61/07/408716107.db2.gz WSQAGDWVZYWXJI-PSASIEDQSA-N -1 3 317.342 1.010 20 5 DDBDHM COc1ccc2c(c1)CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187042937 163003557 /nfs/dbraw/zinc/00/35/57/163003557.db2.gz DCYLKYLVODDOQD-UHFFFAOYSA-N -1 3 315.285 1.907 20 5 DDBDHM CCC[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC ZINC000296129099 409439822 /nfs/dbraw/zinc/43/98/22/409439822.db2.gz IEQWZUHVPJEIJB-GFCCVEGCSA-N -1 3 316.379 1.829 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(C2CCOCC2)CC1 ZINC000332400710 410128180 /nfs/dbraw/zinc/12/81/80/410128180.db2.gz SHTAGOKQGLBCIY-UHFFFAOYSA-N -1 3 321.377 1.597 20 5 DDBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc([O-])ccc1Cl ZINC000343169605 410202296 /nfs/dbraw/zinc/20/22/96/410202296.db2.gz ZYODAXHHGYABJQ-UHFFFAOYSA-N -1 3 310.697 1.580 20 5 DDBDHM Cc1ccc(S(=O)(=O)NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000360011613 411001027 /nfs/dbraw/zinc/00/10/27/411001027.db2.gz PBZPYKBJJDMBEB-UHFFFAOYSA-N -1 3 323.330 1.482 20 5 DDBDHM Cc1cc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n(C)n1 ZINC000343155753 418631169 /nfs/dbraw/zinc/63/11/69/418631169.db2.gz VQVLBTNGXNGOPE-UHFFFAOYSA-N -1 3 314.305 2.299 20 5 DDBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1C(C)C ZINC000422140389 419856192 /nfs/dbraw/zinc/85/61/92/419856192.db2.gz UFYGTTKAHRYMTR-UHFFFAOYSA-N -1 3 305.294 2.034 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2[O-])n1 ZINC000436817645 420370216 /nfs/dbraw/zinc/37/02/16/420370216.db2.gz SESRCVDOYBWHEX-UHFFFAOYSA-N -1 3 306.278 1.778 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416506253 420401350 /nfs/dbraw/zinc/40/13/50/420401350.db2.gz FLJDBGGMTIGIIQ-UHFFFAOYSA-N -1 3 321.424 1.583 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000440374607 420572090 /nfs/dbraw/zinc/57/20/90/420572090.db2.gz URSFKHKLCPTWIH-UHFFFAOYSA-N -1 3 304.262 1.286 20 5 DDBDHM CC[C@H](C)n1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000445132855 420761099 /nfs/dbraw/zinc/76/10/99/420761099.db2.gz GUWYYJCTZRFSPZ-QMMMGPOBSA-N -1 3 319.321 2.424 20 5 DDBDHM C[C@@H](CN(C)c1nccc2c1cccc2[N+](=O)[O-])c1nnn[n-]1 ZINC000450438696 421197589 /nfs/dbraw/zinc/19/75/89/421197589.db2.gz KYYAMGONWXERBN-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM C[C@@H](CN(C)c1nccc2c1cccc2[N+](=O)[O-])c1nn[n-]n1 ZINC000450438696 421197591 /nfs/dbraw/zinc/19/75/91/421197591.db2.gz KYYAMGONWXERBN-VIFPVBQESA-N -1 3 313.321 1.896 20 5 DDBDHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000517161071 421597618 /nfs/dbraw/zinc/59/76/18/421597618.db2.gz NVZUVANFQCLOMG-OAHLLOKOSA-N -1 3 308.334 1.908 20 5 DDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n(-c2ccccc2)n1 ZINC000531678401 421643433 /nfs/dbraw/zinc/64/34/33/421643433.db2.gz FFHCAQYJHMHNRE-UHFFFAOYSA-N -1 3 324.300 1.553 20 5 DDBDHM CN(CCc1ccccc1[N+](=O)[O-])c1nc2nncc-2c(O)[n-]1 ZINC000343241565 271696647 /nfs/dbraw/zinc/69/66/47/271696647.db2.gz ZGSLUFSAWDYSHD-UHFFFAOYSA-N -1 3 314.305 1.646 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000127843209 281287948 /nfs/dbraw/zinc/28/79/48/281287948.db2.gz OMPMSSYOJBIXMH-JTQLQIEISA-N -1 3 312.347 1.990 20 5 DDBDHM CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000183337110 290180481 /nfs/dbraw/zinc/18/04/81/290180481.db2.gz CFQVYGVAZKOQNA-CHWSQXEVSA-N -1 3 319.361 1.857 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271246552 297443779 /nfs/dbraw/zinc/44/37/79/297443779.db2.gz JNFSVBRYYFSSBL-NXEZZACHSA-N -1 3 300.336 1.441 20 5 DDBDHM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295263052 300193403 /nfs/dbraw/zinc/19/34/03/300193403.db2.gz GFCGBOULTJHXRS-LLVKDONJSA-N -1 3 319.361 1.857 20 5 DDBDHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000519706469 302850081 /nfs/dbraw/zinc/85/00/81/302850081.db2.gz FIAIZBNKDCFMHA-UHFFFAOYSA-N -1 3 324.362 1.542 20 5 DDBDHM Cn1cc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)cn1 ZINC000576808583 308340666 /nfs/dbraw/zinc/34/06/66/308340666.db2.gz YOBRMWVGTVVXOL-UHFFFAOYSA-N -1 3 319.306 1.427 20 5 DDBDHM COC(=O)c1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1[O-] ZINC000580409183 308601816 /nfs/dbraw/zinc/60/18/16/308601816.db2.gz DJZGKOVIUFMIBI-UHFFFAOYSA-N -1 3 306.234 1.062 20 5 DDBDHM CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C(=O)[O-])C1 ZINC000582914694 337217241 /nfs/dbraw/zinc/21/72/41/337217241.db2.gz FACLNOQEJTWJFA-OCCSQVGLSA-N -1 3 308.334 1.967 20 5 DDBDHM NC(=O)[N-]C(=O)OCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000494676622 534387019 /nfs/dbraw/zinc/38/70/19/534387019.db2.gz JOAHZEDHWVUXKD-UHFFFAOYSA-N -1 3 322.321 1.148 20 5 DDBDHM CSC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737176597 598976719 /nfs/dbraw/zinc/97/67/19/598976719.db2.gz OFAMBXHJUDCDMO-QMMMGPOBSA-N -1 3 324.366 1.301 20 5 DDBDHM CSC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737176597 598976721 /nfs/dbraw/zinc/97/67/21/598976721.db2.gz OFAMBXHJUDCDMO-QMMMGPOBSA-N -1 3 324.366 1.301 20 5 DDBDHM CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736790928 598373565 /nfs/dbraw/zinc/37/35/65/598373565.db2.gz KLGHJCCULPLZLY-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736790928 598373568 /nfs/dbraw/zinc/37/35/68/598373568.db2.gz KLGHJCCULPLZLY-SNVBAGLBSA-N -1 3 304.310 1.390 20 5 DDBDHM CN(Cc1cc[nH]n1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736812205 598755892 /nfs/dbraw/zinc/75/58/92/598755892.db2.gz DIMCTSQHBQTSRH-UHFFFAOYSA-N -1 3 300.282 1.134 20 5 DDBDHM CCC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736419325 598774496 /nfs/dbraw/zinc/77/44/96/598774496.db2.gz KZZBPUWHYSLIGB-CYBMUJFWSA-N -1 3 306.326 1.738 20 5 DDBDHM CCC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736419325 598774497 /nfs/dbraw/zinc/77/44/97/598774497.db2.gz KZZBPUWHYSLIGB-CYBMUJFWSA-N -1 3 306.326 1.738 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000823651120 599359075 /nfs/dbraw/zinc/35/90/75/599359075.db2.gz GMJULGBAQNNZBO-UHFFFAOYSA-N -1 3 317.231 1.924 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000823651120 599359077 /nfs/dbraw/zinc/35/90/77/599359077.db2.gz GMJULGBAQNNZBO-UHFFFAOYSA-N -1 3 317.231 1.924 20 5 DDBDHM CC[C@H](O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820933221 599580542 /nfs/dbraw/zinc/58/05/42/599580542.db2.gz SVXUSMIJMYRTCA-JTQLQIEISA-N -1 3 306.326 1.738 20 5 DDBDHM CC[C@H](O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820933221 599580544 /nfs/dbraw/zinc/58/05/44/599580544.db2.gz SVXUSMIJMYRTCA-JTQLQIEISA-N -1 3 306.326 1.738 20 5 DDBDHM C[C@@H](O)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820474676 599584389 /nfs/dbraw/zinc/58/43/89/599584389.db2.gz USFINNOEVGAVRW-MRVPVSSYSA-N -1 3 321.341 1.379 20 5 DDBDHM C[C@@H](O)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820474676 599584393 /nfs/dbraw/zinc/58/43/93/599584393.db2.gz USFINNOEVGAVRW-MRVPVSSYSA-N -1 3 321.341 1.379 20 5 DDBDHM CC(C)(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819906410 607468995 /nfs/dbraw/zinc/46/89/95/607468995.db2.gz GBOPQZARGYUZKB-SECBINFHSA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819906410 607468996 /nfs/dbraw/zinc/46/89/96/607468996.db2.gz GBOPQZARGYUZKB-SECBINFHSA-N -1 3 320.353 1.984 20 5 DDBDHM Cc1nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016957 601813417 /nfs/dbraw/zinc/81/34/17/601813417.db2.gz OZZXIMKVNLJLRP-PRHODGIISA-N -1 3 319.321 1.258 20 5 DDBDHM O=[N+]([O-])c1cnn(CCSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000823651075 606046522 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C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000828473013 601812963 /nfs/dbraw/zinc/81/29/63/601812963.db2.gz UJKTWRJEJWXPLL-SKDRFNHKSA-N -1 3 304.306 1.555 20 5 DDBDHM C[C@]1(C(=O)[O-])CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000828035213 601886190 /nfs/dbraw/zinc/88/61/90/601886190.db2.gz GGJUDDKBBCGQLO-AWEZNQCLSA-N -1 3 304.306 1.699 20 5 DDBDHM C[C@@]1(C(=O)[O-])CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000828035214 601886537 /nfs/dbraw/zinc/88/65/37/601886537.db2.gz GGJUDDKBBCGQLO-CQSZACIVSA-N -1 3 304.306 1.699 20 5 DDBDHM C[C@@H]1CCOCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824966576 608416766 /nfs/dbraw/zinc/41/67/66/608416766.db2.gz BSSZFPGJHGMJNO-SECBINFHSA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@@H]1CCOCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824966576 608416768 /nfs/dbraw/zinc/41/67/68/608416768.db2.gz BSSZFPGJHGMJNO-SECBINFHSA-N -1 3 304.310 1.390 20 5 DDBDHM O=c1c([N+](=O)[O-])cccn1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826501472 608672973 /nfs/dbraw/zinc/67/29/73/608672973.db2.gz RTVBBFLHCLTPHD-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=c1c([N+](=O)[O-])cccn1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826501472 608672976 /nfs/dbraw/zinc/67/29/76/608672976.db2.gz RTVBBFLHCLTPHD-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1F ZINC000824961540 609318849 /nfs/dbraw/zinc/31/88/49/609318849.db2.gz DDMHCLQMUXAEIA-LDYMZIIASA-N -1 3 306.301 1.959 20 5 DDBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1F ZINC000824961540 609318851 /nfs/dbraw/zinc/31/88/51/609318851.db2.gz DDMHCLQMUXAEIA-LDYMZIIASA-N -1 3 306.301 1.959 20 5 DDBDHM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824226299 609320358 /nfs/dbraw/zinc/32/03/58/609320358.db2.gz XUJYSHRSFMEWBX-ZDUSSCGKSA-N -1 3 318.337 1.636 20 5 DDBDHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824226299 609320359 /nfs/dbraw/zinc/32/03/59/609320359.db2.gz XUJYSHRSFMEWBX-ZDUSSCGKSA-N -1 3 318.337 1.636 20 5 DDBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000766563289 701055903 /nfs/dbraw/zinc/05/59/03/701055903.db2.gz IELAGIJYGSWCHE-UHFFFAOYSA-N -1 3 315.282 1.842 20 5 DDBDHM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882766715 707782903 /nfs/dbraw/zinc/78/29/03/707782903.db2.gz OUYFGCWXQUEIIH-SNVBAGLBSA-N -1 3 317.342 1.106 20 5 DDBDHM CC/C=C(/C)C(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100470613 733267640 /nfs/dbraw/zinc/26/76/40/733267640.db2.gz VPNMEHGINWHWAC-WDZFZDKYSA-N -1 3 322.365 1.994 20 5 DDBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccco1 ZINC001105316363 737826145 /nfs/dbraw/zinc/82/61/45/737826145.db2.gz ASEFCQVLDDKGIY-UHFFFAOYSA-N -1 3 320.305 1.497 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cn2)nc1 ZINC001187950368 744638968 /nfs/dbraw/zinc/63/89/68/744638968.db2.gz AZSZFNMSOHICNM-UHFFFAOYSA-N -1 3 312.282 1.002 20 5 DDBDHM CC1=NO[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC001190448383 745224856 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O=C(CCC(F)F)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094677919 776149980 /nfs/dbraw/zinc/14/99/80/776149980.db2.gz LMDUMORJYIAUSW-UHFFFAOYSA-N -1 3 318.280 1.659 20 5 DDBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cc[nH]c1 ZINC001094838981 776394825 /nfs/dbraw/zinc/39/48/25/776394825.db2.gz ZGPLFZHENHIZTL-UHFFFAOYSA-N -1 3 305.294 1.256 20 5 DDBDHM COc1cc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1[O-] ZINC001327978774 862608108 /nfs/dbraw/zinc/60/81/08/862608108.db2.gz RURKHBWLZRAQQD-WCBMZHEXSA-N -1 3 310.306 1.652 20 5 DDBDHM CC[C@H](C)CN(C)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001263630589 900656952 /nfs/dbraw/zinc/65/69/52/900656952.db2.gz QQJQKTUVJGXUFB-VIFPVBQESA-N -1 3 320.353 1.973 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)F ZINC000451085534 529646630 /nfs/dbraw/zinc/64/66/30/529646630.db2.gz SKWWBTIQRCMRHE-QMMMGPOBSA-N -1 3 324.305 1.925 20 5 DDBDHM CC(C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000092407088 185316554 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Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000158426119 354230457 /nfs/dbraw/zinc/23/04/57/354230457.db2.gz FOSYUKQAVVKYRO-NSHDSACASA-N -1 3 316.379 1.589 20 5 DDBDHM CC(C)N1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000334002647 535264827 /nfs/dbraw/zinc/26/48/27/535264827.db2.gz HLTLBQRCPKRVJT-GWCFXTLKSA-N -1 3 307.350 1.759 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601313962 358492108 /nfs/dbraw/zinc/49/21/08/358492108.db2.gz WOMJBIHDLQAPNR-SECBINFHSA-N -1 3 320.392 1.670 20 5 DDBDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592109390 355502578 /nfs/dbraw/zinc/50/25/78/355502578.db2.gz AOVZJAOFZNYUHI-OIBJUYFYSA-N -1 3 320.367 1.906 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)nc1 ZINC000593563578 355927264 /nfs/dbraw/zinc/92/72/64/355927264.db2.gz CHDHYCDUARUGMW-JTQLQIEISA-N -1 3 323.334 1.069 20 5 DDBDHM CC(C)C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000593569293 355928821 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DDBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n[nH]1 ZINC000609138303 360265175 /nfs/dbraw/zinc/26/51/75/360265175.db2.gz XHWIHSLJVXDKHL-UHFFFAOYSA-N -1 3 305.250 1.045 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1 ZINC000192136457 200825627 /nfs/dbraw/zinc/82/56/27/200825627.db2.gz CSOBHKVBXKGBRY-UHFFFAOYSA-N -1 3 316.232 1.774 20 5 DDBDHM CC1CCN(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160027806 197380560 /nfs/dbraw/zinc/38/05/60/197380560.db2.gz PWKJKKMZZOQRDV-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000061976504 184199239 /nfs/dbraw/zinc/19/92/39/184199239.db2.gz MBLONPUAUKZPKV-LBPRGKRZSA-N -1 3 300.336 1.034 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000352550295 285133867 /nfs/dbraw/zinc/13/38/67/285133867.db2.gz KOHYCCVIJSVGCO-LLVKDONJSA-N -1 3 314.363 1.200 20 5 DDBDHM CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185873609 285199721 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C[C@H]1N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1(C)C ZINC000820820399 606877205 /nfs/dbraw/zinc/87/72/05/606877205.db2.gz OIBDAYPONVZQFV-SECBINFHSA-N -1 3 318.337 1.779 20 5 DDBDHM C[C@H]1N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1(C)C ZINC000820820399 606877206 /nfs/dbraw/zinc/87/72/06/606877206.db2.gz OIBDAYPONVZQFV-SECBINFHSA-N -1 3 318.337 1.779 20 5 DDBDHM O=c1ccn(Cc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823665516 607040533 /nfs/dbraw/zinc/04/05/33/607040533.db2.gz NFDVVIQRVPGRGU-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=c1ccn(Cc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823665516 607040534 /nfs/dbraw/zinc/04/05/34/607040534.db2.gz NFDVVIQRVPGRGU-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM CC1(C)OC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC000820607527 607225386 /nfs/dbraw/zinc/22/53/86/607225386.db2.gz UOCGAWMHYRAILL-VIFPVBQESA-N -1 3 320.309 1.338 20 5 DDBDHM CC1(C)OC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC000820607527 607225387 /nfs/dbraw/zinc/22/53/87/607225387.db2.gz UOCGAWMHYRAILL-VIFPVBQESA-N -1 3 320.309 1.338 20 5 DDBDHM C[C@@H]1CC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824898366 608444530 /nfs/dbraw/zinc/44/45/30/608444530.db2.gz FGCVIMIRYSOLJV-HTQZYQBOSA-N -1 3 319.325 1.538 20 5 DDBDHM C[C@@H]1CC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824898366 608444533 /nfs/dbraw/zinc/44/45/33/608444533.db2.gz FGCVIMIRYSOLJV-HTQZYQBOSA-N -1 3 319.325 1.538 20 5 DDBDHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725827393 699335551 /nfs/dbraw/zinc/33/55/51/699335551.db2.gz SOECFYCHSPBRRT-SECBINFHSA-N -1 3 319.770 1.231 20 5 DDBDHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845883431 703212188 /nfs/dbraw/zinc/21/21/88/703212188.db2.gz PURDPJDAZPOXSV-PSASIEDQSA-N -1 3 317.392 1.552 20 5 DDBDHM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1(C)C ZINC000871155354 704232869 /nfs/dbraw/zinc/23/28/69/704232869.db2.gz UZVPJCRTXSOVSD-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1=CCCC1 ZINC001059610611 741407734 /nfs/dbraw/zinc/40/77/34/741407734.db2.gz FOXIBEISGLDMPA-PHIMTYICSA-N -1 3 318.333 1.865 20 5 DDBDHM CC(C)C(=O)c1cnccc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001128289885 743490675 /nfs/dbraw/zinc/49/06/75/743490675.db2.gz ANKZLFZJRGRNOH-UHFFFAOYSA-N -1 3 317.305 1.236 20 5 DDBDHM Cc1cc(N2CCC(c3nnn[n-]3)CC2)c(F)cc1[N+](=O)[O-] ZINC001187371797 744551408 /nfs/dbraw/zinc/55/14/08/744551408.db2.gz VJWGPMNNJLOASN-UHFFFAOYSA-N -1 3 306.301 1.939 20 5 DDBDHM Cc1cc(N2CCC(c3nn[n-]n3)CC2)c(F)cc1[N+](=O)[O-] ZINC001187371797 744551409 /nfs/dbraw/zinc/55/14/09/744551409.db2.gz VJWGPMNNJLOASN-UHFFFAOYSA-N -1 3 306.301 1.939 20 5 DDBDHM Cc1cc(=O)[n-]c(CNC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC001144549729 772563046 /nfs/dbraw/zinc/56/30/46/772563046.db2.gz VTHRLKNJHLTVLC-UHFFFAOYSA-N -1 3 318.289 1.094 20 5 DDBDHM CCC(=CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001093549925 774829303 /nfs/dbraw/zinc/82/93/03/774829303.db2.gz JFVOIIXYLGIGJH-UHFFFAOYSA-N -1 3 308.338 1.970 20 5 DDBDHM O=C(C=C1CCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094366249 775785223 /nfs/dbraw/zinc/78/52/23/775785223.db2.gz ODIMNBKEHDKIDY-UHFFFAOYSA-N -1 3 306.322 1.724 20 5 DDBDHM Cc1cnoc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094555054 776066887 /nfs/dbraw/zinc/06/68/87/776066887.db2.gz GAYOXJYJYGCBIL-UHFFFAOYSA-N -1 3 321.293 1.224 20 5 DDBDHM CCN(CCNC(=O)CC(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100429159 776142086 /nfs/dbraw/zinc/14/20/86/776142086.db2.gz FEJHTNBJTKAVCL-UHFFFAOYSA-N -1 3 310.354 1.684 20 5 DDBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329977585 863989296 /nfs/dbraw/zinc/98/92/96/863989296.db2.gz WTSOMPGFJGGMSX-RXMQYKEDSA-N -1 3 308.216 1.174 20 5 DDBDHM CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC001304043758 871181323 /nfs/dbraw/zinc/18/13/23/871181323.db2.gz ZIVXQUSMWBATCC-GFCCVEGCSA-N -1 3 307.350 1.761 20 5 DDBDHM Cc1nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001318344384 871947838 /nfs/dbraw/zinc/94/78/38/871947838.db2.gz NQKUFOSOTOWJRE-UHFFFAOYSA-N -1 3 321.318 1.070 20 5 DDBDHM Cc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001318344384 871947847 /nfs/dbraw/zinc/94/78/47/871947847.db2.gz NQKUFOSOTOWJRE-UHFFFAOYSA-N -1 3 321.318 1.070 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451733848 231176812 /nfs/dbraw/zinc/17/68/12/231176812.db2.gz HNBKDCLDJLDDTA-UHFFFAOYSA-N -1 3 318.326 1.392 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)CO)c1[N+](=O)[O-] ZINC000616425450 362691108 /nfs/dbraw/zinc/69/11/08/362691108.db2.gz FLXFQFPIFKFPAA-UHFFFAOYSA-N -1 3 316.379 1.508 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CO)CCC2)cc1C ZINC000164259023 186154036 /nfs/dbraw/zinc/15/40/36/186154036.db2.gz DMIBSQBWSQNVOI-UHFFFAOYSA-N -1 3 314.363 1.405 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccnc1 ZINC000055943014 352752854 /nfs/dbraw/zinc/75/28/54/352752854.db2.gz DDSSHFRXJGZYSJ-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000125680394 354047438 /nfs/dbraw/zinc/04/74/38/354047438.db2.gz HRIQEJHXIMNTRF-SNVBAGLBSA-N -1 3 302.352 1.198 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@H](C)O ZINC000590762802 355171171 /nfs/dbraw/zinc/17/11/71/355171171.db2.gz SVUVMAVSLXGSIT-IUCAKERBSA-N -1 3 318.351 1.041 20 5 DDBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592084638 355490150 /nfs/dbraw/zinc/49/01/50/355490150.db2.gz WGEQTARNSDTIAU-WDEREUQCSA-N -1 3 316.379 1.670 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593568869 355928581 /nfs/dbraw/zinc/92/85/81/355928581.db2.gz LFYQEOMITLGOHO-ILWJIGKKSA-N -1 3 315.351 1.224 20 5 DDBDHM COC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000593601903 355938586 /nfs/dbraw/zinc/93/85/86/355938586.db2.gz YXQXLMMMZZZEEW-UHFFFAOYSA-N -1 3 315.351 1.227 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CCF)cc1C ZINC000593657935 355957072 /nfs/dbraw/zinc/95/70/72/355957072.db2.gz ULYDXKYECIRAAY-SNVBAGLBSA-N -1 3 320.342 1.210 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594803682 356322688 /nfs/dbraw/zinc/32/26/88/356322688.db2.gz DXAJTJPGTWYLHI-SECBINFHSA-N -1 3 320.392 1.404 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)c([N+](=O)[O-])s1 ZINC000601345876 358509157 /nfs/dbraw/zinc/50/91/57/358509157.db2.gz ZPRKRCVFNHSONZ-LLVKDONJSA-N -1 3 320.392 1.670 20 5 DDBDHM O=c1[n-]ccc(N2CCO[C@@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000596166058 356798663 /nfs/dbraw/zinc/79/86/63/356798663.db2.gz PCOLCOTXGVFSKA-CYBMUJFWSA-N -1 3 317.301 1.979 20 5 DDBDHM Cn1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)nnc1C1CC1 ZINC000597897515 357375384 /nfs/dbraw/zinc/37/53/84/357375384.db2.gz OLJFVKZQMOJQNF-UHFFFAOYSA-N -1 3 305.269 1.992 20 5 DDBDHM C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598773207 357723813 /nfs/dbraw/zinc/72/38/13/357723813.db2.gz MBYLAPWOVJJFEG-LLVKDONJSA-N -1 3 322.365 1.546 20 5 DDBDHM COc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000599007659 357791273 /nfs/dbraw/zinc/79/12/73/357791273.db2.gz SCOBXTQSASOBMX-BXUZGUMPSA-N -1 3 308.334 1.966 20 5 DDBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599460704 357946373 /nfs/dbraw/zinc/94/63/73/357946373.db2.gz PDCSEXJISZJTDP-JXVAYASWSA-N -1 3 315.351 1.080 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(C)CCC2)cc1[N+](=O)[O-] ZINC000187560159 200128495 /nfs/dbraw/zinc/12/84/95/200128495.db2.gz SEFUHHNZJLYSIU-UHFFFAOYSA-N -1 3 318.326 1.963 20 5 DDBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCC1 ZINC000350972750 284288060 /nfs/dbraw/zinc/28/80/60/284288060.db2.gz UBKFJGZMNQQKDB-UHFFFAOYSA-N -1 3 301.324 1.356 20 5 DDBDHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000351606726 284408032 /nfs/dbraw/zinc/40/80/32/284408032.db2.gz FCJXJXZUVBZWTN-PKRMOACSSA-N -1 3 318.326 1.339 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000046034365 248199082 /nfs/dbraw/zinc/19/90/82/248199082.db2.gz HJAZFXKQPBZVCM-SNVBAGLBSA-N -1 3 300.336 1.218 20 5 DDBDHM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000158528494 248311354 /nfs/dbraw/zinc/31/13/54/248311354.db2.gz CERXXCKZJQBXLZ-LLVKDONJSA-N -1 3 320.754 1.706 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1F ZINC000339121634 250302866 /nfs/dbraw/zinc/30/28/66/250302866.db2.gz WBWQOIWJKLBBIZ-NXEZZACHSA-N -1 3 318.326 1.772 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120150924 195107255 /nfs/dbraw/zinc/10/72/55/195107255.db2.gz JDMMGZCYTRMVJR-JTQLQIEISA-N -1 3 316.379 1.915 20 5 DDBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000352560023 285141683 /nfs/dbraw/zinc/14/16/83/285141683.db2.gz MSEPXRILPKYXSS-SNVBAGLBSA-N -1 3 302.352 1.607 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000087040833 407116239 /nfs/dbraw/zinc/11/62/39/407116239.db2.gz MONWJQTXWSIZIW-GFCCVEGCSA-N -1 3 302.352 1.175 20 5 DDBDHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178744117 407578002 /nfs/dbraw/zinc/57/80/02/407578002.db2.gz HMLIXAYZKZFZDH-GFCCVEGCSA-N -1 3 302.352 1.280 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@H](C)O ZINC000228068099 407640882 /nfs/dbraw/zinc/64/08/82/407640882.db2.gz YXTLCDNMCLDDOQ-VIFPVBQESA-N -1 3 318.351 1.043 20 5 DDBDHM O=C(Nc1ccc2nncn2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000179632389 407814992 /nfs/dbraw/zinc/81/49/92/407814992.db2.gz SQMTYFRACKVSTN-UHFFFAOYSA-N -1 3 323.272 1.766 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000190749506 408312520 /nfs/dbraw/zinc/31/25/20/408312520.db2.gz ANWPXKIONUYENM-QMMMGPOBSA-N -1 3 322.770 1.870 20 5 DDBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)ccc1[O-] ZINC000132854935 162045398 /nfs/dbraw/zinc/04/53/98/162045398.db2.gz SKQYAUYIJKOWDL-UHFFFAOYSA-N -1 3 323.692 1.754 20 5 DDBDHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000270349759 408498327 /nfs/dbraw/zinc/49/83/27/408498327.db2.gz SEOCJVZPELXNKR-SSDOTTSWSA-N -1 3 312.307 1.255 20 5 DDBDHM O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274992585 408575358 /nfs/dbraw/zinc/57/53/58/408575358.db2.gz VEPPLBDDLUIEBI-LLVKDONJSA-N -1 3 302.290 1.831 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000276789996 408897131 /nfs/dbraw/zinc/89/71/31/408897131.db2.gz JILJJJCQFREVBR-NSHDSACASA-N -1 3 314.363 1.261 20 5 DDBDHM CN(C)Cc1ccnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187166817 163007732 /nfs/dbraw/zinc/00/77/32/163007732.db2.gz HOCNLMXZZCMNJB-UHFFFAOYSA-N -1 3 317.305 1.404 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCCO ZINC000229156851 163343278 /nfs/dbraw/zinc/34/32/78/163343278.db2.gz QLKXGIIZIVAXOU-UHFFFAOYSA-N -1 3 322.770 1.689 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCO ZINC000236502473 163356517 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O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1[O-] ZINC000340304393 410842162 /nfs/dbraw/zinc/84/21/62/410842162.db2.gz VANRCUYCWSYYLM-UHFFFAOYSA-N -1 3 323.692 1.754 20 5 DDBDHM CC(=O)c1ccc(N(C)C[C@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000132886552 196293418 /nfs/dbraw/zinc/29/34/18/196293418.db2.gz ZZTFJNWXVIYASG-QMMMGPOBSA-N -1 3 304.310 1.550 20 5 DDBDHM CC(=O)c1ccc(N(C)C[C@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000132886552 196293420 /nfs/dbraw/zinc/29/34/20/196293420.db2.gz ZZTFJNWXVIYASG-QMMMGPOBSA-N -1 3 304.310 1.550 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000295856708 225317402 /nfs/dbraw/zinc/31/74/02/225317402.db2.gz XRASLIDPEBGJFF-ZJUUUORDSA-N -1 3 300.336 1.034 20 5 DDBDHM O=C([N-]c1ncn(-c2ccccn2)n1)c1ccccc1[N+](=O)[O-] ZINC000371387686 418787516 /nfs/dbraw/zinc/78/75/16/418787516.db2.gz JSTIYRZIOHNAOK-UHFFFAOYSA-N -1 3 310.273 1.823 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1csc(=O)[n-]1 ZINC000471793259 420950547 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000072713976 191220878 /nfs/dbraw/zinc/22/08/78/191220878.db2.gz DPUJKYFZRPDLSY-UHFFFAOYSA-N -1 3 311.319 1.410 20 5 DDBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000066870877 353020440 /nfs/dbraw/zinc/02/04/40/353020440.db2.gz YBWYQQWBDIJINK-UHFFFAOYSA-N -1 3 305.381 1.029 20 5 DDBDHM CN1CCC[C@]2(CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)C1 ZINC000565034294 304038219 /nfs/dbraw/zinc/03/82/19/304038219.db2.gz DSYVKOUCWZOKTC-HNNXBMFYSA-N -1 3 320.349 1.610 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@H](C)O ZINC000590762801 355171182 /nfs/dbraw/zinc/17/11/82/355171182.db2.gz SVUVMAVSLXGSIT-DTWKUNHWSA-N -1 3 318.351 1.041 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601318919 358493998 /nfs/dbraw/zinc/49/39/98/358493998.db2.gz UHSOOTGZOIBJRH-VIFPVBQESA-N -1 3 320.392 1.812 20 5 DDBDHM C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979530 355761661 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/nfs/dbraw/zinc/81/84/12/357818412.db2.gz WUWQNXCPTXFVCK-PWSUYJOCSA-N -1 3 319.321 1.761 20 5 DDBDHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599395866 357921852 /nfs/dbraw/zinc/92/18/52/357921852.db2.gz DMGLCBBOZQELNY-TVQRCGJNSA-N -1 3 312.347 1.441 20 5 DDBDHM COC(=O)c1cnc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000348016362 283336201 /nfs/dbraw/zinc/33/62/01/283336201.db2.gz QRLSETRKAVPMNZ-UHFFFAOYSA-N -1 3 320.236 1.563 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601388950 358529839 /nfs/dbraw/zinc/52/98/39/358529839.db2.gz BBCQALKEMMBAPS-VIFPVBQESA-N -1 3 320.392 1.670 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cocn1 ZINC000609352767 360300828 /nfs/dbraw/zinc/30/08/28/360300828.db2.gz CFDUOSGKSUBBKC-UHFFFAOYSA-N -1 3 313.291 1.070 20 5 DDBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000610231340 360393105 /nfs/dbraw/zinc/39/31/05/360393105.db2.gz NHOINSCOHIHGGE-UHFFFAOYSA-N -1 3 308.250 1.648 20 5 DDBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000610231340 360393109 /nfs/dbraw/zinc/39/31/09/360393109.db2.gz NHOINSCOHIHGGE-UHFFFAOYSA-N -1 3 308.250 1.648 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000611235122 360671271 /nfs/dbraw/zinc/67/12/71/360671271.db2.gz RHQXCRNDJYERDQ-UHFFFAOYSA-N -1 3 300.196 1.998 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000613471831 361432470 /nfs/dbraw/zinc/43/24/70/361432470.db2.gz WQUUOEKWUYIBKX-VIFPVBQESA-N -1 3 319.408 1.337 20 5 DDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ncccc1[O-] ZINC000349793228 284055134 /nfs/dbraw/zinc/05/51/34/284055134.db2.gz VOAJTOBCUUUSPK-UHFFFAOYSA-N -1 3 316.317 1.737 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2nnc3ccccn32)c1[N+](=O)[O-] ZINC000340669210 251158639 /nfs/dbraw/zinc/15/86/39/251158639.db2.gz JBNXUWXQJFWVRR-UHFFFAOYSA-N -1 3 301.266 1.175 20 5 DDBDHM CN(C)c1n[nH]c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000340997902 251326588 /nfs/dbraw/zinc/32/65/88/251326588.db2.gz 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ZINC000124488131 407359451 /nfs/dbraw/zinc/35/94/51/407359451.db2.gz LNQPXJLVNZNVKP-QMMMGPOBSA-N -1 3 308.381 1.404 20 5 DDBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)COC1 ZINC000112708401 407436857 /nfs/dbraw/zinc/43/68/57/407436857.db2.gz KSOCFXDIRMTHCF-UHFFFAOYSA-N -1 3 320.754 1.563 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CO ZINC000228604875 407651082 /nfs/dbraw/zinc/65/10/82/407651082.db2.gz PGWBMMIQZNXNJJ-UWVGGRQHSA-N -1 3 300.336 1.034 20 5 DDBDHM C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000261944518 407684731 /nfs/dbraw/zinc/68/47/31/407684731.db2.gz VHXVFQMLHVXIEK-TVQRCGJNSA-N -1 3 321.333 1.379 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOC(C)C ZINC000273381109 408174385 /nfs/dbraw/zinc/17/43/85/408174385.db2.gz BBIPCNWYMGRQNO-UHFFFAOYSA-N -1 3 318.351 1.307 20 5 DDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000263812479 408268586 /nfs/dbraw/zinc/26/85/86/408268586.db2.gz NOUAAFUITXRESJ-QMMMGPOBSA-N -1 3 322.770 1.952 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)O)c1 ZINC000183682037 408468918 /nfs/dbraw/zinc/46/89/18/408468918.db2.gz KQZSTGGGJKNZRC-MRVPVSSYSA-N -1 3 322.770 1.606 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CSC ZINC000265486701 408669070 /nfs/dbraw/zinc/66/90/70/408669070.db2.gz UGXJRHJGKWSDFX-MRVPVSSYSA-N -1 3 320.392 1.633 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(F)(F)CN)cc1C ZINC000162638722 408721694 /nfs/dbraw/zinc/72/16/94/408721694.db2.gz YMIUCBCDEIOAJB-UHFFFAOYSA-N -1 3 323.321 1.084 20 5 DDBDHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000228071714 163340788 /nfs/dbraw/zinc/34/07/88/163340788.db2.gz FGQJMUVXTCSNKC-MRVPVSSYSA-N -1 3 322.770 1.688 20 5 DDBDHM COCc1nnc(Sc2nc3sccn3c2[N+](=O)[O-])[n-]1 ZINC000354434695 409851639 /nfs/dbraw/zinc/85/16/39/409851639.db2.gz ZVNZCFFLXMAXLC-UHFFFAOYSA-N -1 3 312.336 1.720 20 5 DDBDHM COCc1n[n-]c(Sc2nc3sccn3c2[N+](=O)[O-])n1 ZINC000354434695 409851644 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DDBDHM COCCN1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000580315352 308595493 /nfs/dbraw/zinc/59/54/93/308595493.db2.gz DQUXMLLUCSEMNN-UHFFFAOYSA-N -1 3 324.337 1.211 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[n-]1 ZINC000557861654 484323714 /nfs/dbraw/zinc/32/37/14/484323714.db2.gz LULJGWKJRRSREB-UHFFFAOYSA-N -1 3 322.252 1.886 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[n-]n1 ZINC000557861654 484323719 /nfs/dbraw/zinc/32/37/19/484323719.db2.gz LULJGWKJRRSREB-UHFFFAOYSA-N -1 3 322.252 1.886 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncccc2NC(C)=O)n1 ZINC000427374792 529155584 /nfs/dbraw/zinc/15/55/84/529155584.db2.gz JTOAFKCKLRLTDE-UHFFFAOYSA-N -1 3 318.293 1.417 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H](C)O ZINC000451899090 529195779 /nfs/dbraw/zinc/19/57/79/529195779.db2.gz WMOIRCLZJGCOLM-HTRCEHHLSA-N -1 3 308.381 1.402 20 5 DDBDHM CO[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821678840 599687807 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O=c1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)nc[n-]1 ZINC001307226306 871413369 /nfs/dbraw/zinc/41/33/69/871413369.db2.gz JISNRIMDYCWZRU-LLVKDONJSA-N -1 3 301.306 1.781 20 5 DDBDHM O=c1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)nc[n-]1 ZINC001226945023 882737861 /nfs/dbraw/zinc/73/78/61/882737861.db2.gz NCJVMCFFXKYDDP-LLVKDONJSA-N -1 3 305.246 1.308 20 5 DDBDHM C[C@H](Oc1ccc(=O)[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227095488 882826632 /nfs/dbraw/zinc/82/66/32/882826632.db2.gz QITFSFXVYLWIAY-ZETCQYMHSA-N -1 3 305.246 1.959 20 5 DDBDHM O=c1[n-]c(C2CC2)nc(O[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001228604843 883569780 /nfs/dbraw/zinc/56/97/80/883569780.db2.gz WXADJCGHHYNZGO-JTQLQIEISA-N -1 3 306.322 1.441 20 5 DDBDHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228071864 201812389 /nfs/dbraw/zinc/81/23/89/201812389.db2.gz LFWORRKWQRASAS-MRVPVSSYSA-N -1 3 322.770 1.688 20 5 DDBDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000272670739 210077143 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C)CC1 ZINC000358871811 291064660 /nfs/dbraw/zinc/06/46/60/291064660.db2.gz FMDVNCJPURHSRA-UHFFFAOYSA-N -1 3 300.336 1.682 20 5 DDBDHM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCN(C)C1 ZINC000592828143 355704733 /nfs/dbraw/zinc/70/47/33/355704733.db2.gz DGFMBNBKKSRCDS-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551095 355922288 /nfs/dbraw/zinc/92/22/88/355922288.db2.gz SVJCEXFVNHUZIA-UHFFFAOYSA-N -1 3 317.367 1.067 20 5 DDBDHM CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000593582829 355933513 /nfs/dbraw/zinc/93/35/13/355933513.db2.gz SCTMSDOEHBLMQZ-NSHDSACASA-N -1 3 317.367 1.329 20 5 DDBDHM O=c1[n-]ccc(NCCCN2CCCCCC2=O)c1[N+](=O)[O-] ZINC000596058871 356755841 /nfs/dbraw/zinc/75/58/41/356755841.db2.gz CMTIMNHSMVHDKE-UHFFFAOYSA-N -1 3 308.338 1.900 20 5 DDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000596144687 356790790 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DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])s1 ZINC000601403288 358537337 /nfs/dbraw/zinc/53/73/37/358537337.db2.gz DSYBHUQYNMKDHL-VXNVDRBHSA-N -1 3 320.392 1.668 20 5 DDBDHM Cn1[n-]c(=O)c2c1CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000603417023 359627768 /nfs/dbraw/zinc/62/77/68/359627768.db2.gz XLWBBOUILVEYNL-UHFFFAOYSA-N -1 3 309.713 1.645 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609619404 360336029 /nfs/dbraw/zinc/33/60/29/360336029.db2.gz IBKXGLZORSIQCW-LLVKDONJSA-N -1 3 304.306 1.145 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSC ZINC000610501969 360454529 /nfs/dbraw/zinc/45/45/29/360454529.db2.gz OPIOEDGTMOHONE-UHFFFAOYSA-N -1 3 306.365 1.245 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H](C)O ZINC000395666196 307296280 /nfs/dbraw/zinc/29/62/80/307296280.db2.gz WMZZEWKQHHKUMN-NXEZZACHSA-N -1 3 302.352 1.341 20 5 DDBDHM CCOC(=O)CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000041684613 183216842 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C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295709561 533547357 /nfs/dbraw/zinc/54/73/57/533547357.db2.gz KTTONHLFDHFJAA-JTQLQIEISA-N -1 3 302.352 1.424 20 5 DDBDHM Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568766746 304311163 /nfs/dbraw/zinc/31/11/63/304311163.db2.gz GJUDYDVRYAPSCY-YGRLFVJLSA-N -1 3 305.334 1.742 20 5 DDBDHM COC(C)(C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360878583 299765311 /nfs/dbraw/zinc/76/53/11/299765311.db2.gz ZGNAANUAYUWSQT-UHFFFAOYSA-N -1 3 302.352 1.607 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c(Cl)c1 ZINC000071305054 406837871 /nfs/dbraw/zinc/83/78/71/406837871.db2.gz NHKGXEGAHAUOPK-SNVBAGLBSA-N -1 3 320.754 1.297 20 5 DDBDHM CS(=O)(=O)[N-]c1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000029749580 406926763 /nfs/dbraw/zinc/92/67/63/406926763.db2.gz OWNHTTWHYARFNK-UHFFFAOYSA-N -1 3 324.318 1.046 20 5 DDBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572711 407034556 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C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000298477805 410249511 /nfs/dbraw/zinc/24/95/11/410249511.db2.gz FASBOAYNXLXYFE-JTQLQIEISA-N -1 3 310.335 1.158 20 5 DDBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000356103784 410836655 /nfs/dbraw/zinc/83/66/55/410836655.db2.gz VKLUAJXMHOFYOI-CQSZACIVSA-N -1 3 305.334 1.467 20 5 DDBDHM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000337624285 410905316 /nfs/dbraw/zinc/90/53/16/410905316.db2.gz IWFJWXINQQGNNM-UHFFFAOYSA-N -1 3 317.183 1.690 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]CCCCF)c([N+](=O)[O-])c1 ZINC000360244655 411111431 /nfs/dbraw/zinc/11/14/31/411111431.db2.gz DUXRCSBYZWMGHE-UHFFFAOYSA-N -1 3 306.315 1.631 20 5 DDBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000132915969 196296081 /nfs/dbraw/zinc/29/60/81/196296081.db2.gz CEOGRVDLEWIOPK-SSDOTTSWSA-N -1 3 307.270 1.256 20 5 DDBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000132915969 196296083 /nfs/dbraw/zinc/29/60/83/196296083.db2.gz CEOGRVDLEWIOPK-SSDOTTSWSA-N -1 3 307.270 1.256 20 5 DDBDHM COc1ccc([N-]C(=O)c2cc(CN(C)C)on2)cc1[N+](=O)[O-] ZINC000360735436 418503794 /nfs/dbraw/zinc/50/37/94/418503794.db2.gz DNFDHHGETVYFLH-UHFFFAOYSA-N -1 3 320.305 1.905 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375088612 418603113 /nfs/dbraw/zinc/60/31/13/418603113.db2.gz FQJJJGSBJCEJTF-AWEZNQCLSA-N -1 3 307.306 1.256 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000425203777 228390701 /nfs/dbraw/zinc/39/07/01/228390701.db2.gz GKQTXUBVASIZMV-VXNVDRBHSA-N -1 3 306.727 1.050 20 5 DDBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000436967492 420387216 /nfs/dbraw/zinc/38/72/16/420387216.db2.gz SUFKWDGTUFHVIS-GFCCVEGCSA-N -1 3 305.334 1.609 20 5 DDBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000416542665 420413510 /nfs/dbraw/zinc/41/35/10/420413510.db2.gz FHSVTEHAWGNCIH-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)n1 ZINC000565038586 421595735 /nfs/dbraw/zinc/59/57/35/421595735.db2.gz HVFQSMSASQLKIS-SNVBAGLBSA-N -1 3 308.338 1.750 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1 ZINC000272515173 290230583 /nfs/dbraw/zinc/23/05/83/290230583.db2.gz YDDFSEMUUHELSZ-GWCFXTLKSA-N -1 3 305.334 1.467 20 5 DDBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000291701478 294075999 /nfs/dbraw/zinc/07/59/99/294075999.db2.gz NQTQBFSJFNKOGY-ZDUSSCGKSA-N -1 3 314.363 1.688 20 5 DDBDHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000121539904 297631180 /nfs/dbraw/zinc/63/11/80/297631180.db2.gz CGKZJMLYBYZIHA-OIBJUYFYSA-N -1 3 320.754 1.704 20 5 DDBDHM C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287105849 297718923 /nfs/dbraw/zinc/71/89/23/297718923.db2.gz LOEGXVZPLWBILT-RISCZKNCSA-N -1 3 319.361 1.999 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCSC2)c1C ZINC000268877885 301861228 /nfs/dbraw/zinc/86/12/28/301861228.db2.gz QUDYLOQMMZEJLU-JTQLQIEISA-N -1 3 316.404 1.995 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000183387224 302048430 /nfs/dbraw/zinc/04/84/30/302048430.db2.gz YAKBVBSBKUDLHV-LLVKDONJSA-N -1 3 314.363 1.751 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1C ZINC000277685995 302048812 /nfs/dbraw/zinc/04/88/12/302048812.db2.gz HBPJQCYHSKVOES-WDEREUQCSA-N -1 3 314.363 1.607 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccncc1 ZINC000355828995 306813736 /nfs/dbraw/zinc/81/37/36/306813736.db2.gz NBXKONFEEYAQBH-UHFFFAOYSA-N -1 3 321.358 1.819 20 5 DDBDHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451974654 534266549 /nfs/dbraw/zinc/26/65/49/534266549.db2.gz YXSGNRSYZIDSEH-JTQLQIEISA-N -1 3 324.362 1.238 20 5 DDBDHM Cn1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1OC(F)F ZINC000490944359 534825721 /nfs/dbraw/zinc/82/57/21/534825721.db2.gz VICTYEAZVUIAOY-UHFFFAOYSA-N -1 3 302.193 1.775 20 5 DDBDHM O=[N+]([O-])c1ncccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738374194 598310917 /nfs/dbraw/zinc/31/09/17/598310917.db2.gz KQJHJLUMBCBQRL-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM O=[N+]([O-])c1ncccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738374194 598310918 /nfs/dbraw/zinc/31/09/18/598310918.db2.gz KQJHJLUMBCBQRL-UHFFFAOYSA-N -1 3 315.268 1.921 20 5 DDBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736404944 598677900 /nfs/dbraw/zinc/67/79/00/598677900.db2.gz CCIYPLMVFTXGRM-WCBMZHEXSA-N -1 3 319.325 1.174 20 5 DDBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736404944 598677901 /nfs/dbraw/zinc/67/79/01/598677901.db2.gz CCIYPLMVFTXGRM-WCBMZHEXSA-N -1 3 319.325 1.174 20 5 DDBDHM Cc1c(NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299699 600369497 /nfs/dbraw/zinc/36/94/97/600369497.db2.gz OIIJSJDRWWGKOC-GXSJLCMTSA-N -1 3 323.349 1.883 20 5 DDBDHM Cc1nn(CN2CC[C@@](C)(C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016820 601887756 /nfs/dbraw/zinc/88/77/56/601887756.db2.gz IZEJJPAIRFXLEU-CQSZACIVSA-N -1 3 319.321 1.402 20 5 DDBDHM Cc1cc(N2CCN(CCC(=O)[O-])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000833745680 605050420 /nfs/dbraw/zinc/05/04/20/605050420.db2.gz BKSUVMWASCFTQC-NSHDSACASA-N -1 3 308.338 1.283 20 5 DDBDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000834096188 605966668 /nfs/dbraw/zinc/96/66/68/605966668.db2.gz SKBIFUGXSSIHRN-MNOVXSKESA-N -1 3 309.326 1.008 20 5 DDBDHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1[N+](=O)[O-] ZINC000822248528 606312457 /nfs/dbraw/zinc/31/24/57/606312457.db2.gz FVMUYQJELDVCNV-UHFFFAOYSA-N -1 3 313.277 1.664 20 5 DDBDHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1[N+](=O)[O-] ZINC000822248528 606312459 /nfs/dbraw/zinc/31/24/59/606312459.db2.gz FVMUYQJELDVCNV-UHFFFAOYSA-N -1 3 313.277 1.664 20 5 DDBDHM C[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCO1 ZINC000820623149 606723917 /nfs/dbraw/zinc/72/39/17/606723917.db2.gz GNDJSSDYLKJYTQ-LBPRGKRZSA-N -1 3 305.298 1.151 20 5 DDBDHM C[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCO1 ZINC000820623149 606723918 /nfs/dbraw/zinc/72/39/18/606723918.db2.gz GNDJSSDYLKJYTQ-LBPRGKRZSA-N -1 3 305.298 1.151 20 5 DDBDHM CC(=O)c1ccc(N2CCCN(CC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000737549244 699742101 /nfs/dbraw/zinc/74/21/01/699742101.db2.gz WNLSWFAZROTGSS-UHFFFAOYSA-N -1 3 321.333 1.394 20 5 DDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801920655 700354470 /nfs/dbraw/zinc/35/44/70/700354470.db2.gz QWGAXWOZEWRSMC-UHFFFAOYSA-N -1 3 323.240 1.078 20 5 DDBDHM Cc1nc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)nn1C ZINC000817019819 702256566 /nfs/dbraw/zinc/25/65/66/702256566.db2.gz WQBWXALHBUYNKE-UHFFFAOYSA-N -1 3 319.306 1.289 20 5 DDBDHM COCCN(CCC(=O)[O-])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000846271462 703259061 /nfs/dbraw/zinc/25/90/61/703259061.db2.gz GTLFKRFFMRQJGZ-UHFFFAOYSA-N -1 3 312.322 1.527 20 5 DDBDHM C[C@H](CC[S@](C)=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820248999 704245980 /nfs/dbraw/zinc/24/59/80/704245980.db2.gz QUWAYZRUVZBEPL-PJLCYMMNSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CC[S@](C)=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820248999 704245982 /nfs/dbraw/zinc/24/59/82/704245982.db2.gz QUWAYZRUVZBEPL-PJLCYMMNSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CC[S@@](C)=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820248998 704246064 /nfs/dbraw/zinc/24/60/64/704246064.db2.gz QUWAYZRUVZBEPL-CWMRNNLJSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@H](CC[S@@](C)=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820248998 704246065 /nfs/dbraw/zinc/24/60/65/704246065.db2.gz QUWAYZRUVZBEPL-CWMRNNLJSA-N -1 3 324.366 1.344 20 5 DDBDHM O=[N+]([O-])c1ccc(NCCCCCCO)c(-c2nnn[n-]2)c1 ZINC000826498881 705805075 /nfs/dbraw/zinc/80/50/75/705805075.db2.gz NAGYSSYERSYDQD-UHFFFAOYSA-N -1 3 306.326 1.740 20 5 DDBDHM O=[N+]([O-])c1ccc(NCCCCCCO)c(-c2nn[n-]n2)c1 ZINC000826498881 705805079 /nfs/dbraw/zinc/80/50/79/705805079.db2.gz NAGYSSYERSYDQD-UHFFFAOYSA-N -1 3 306.326 1.740 20 5 DDBDHM O=[N+]([O-])c1ccccc1CCNc1cnccc1-c1nnn[n-]1 ZINC000826500231 705805125 /nfs/dbraw/zinc/80/51/25/705805125.db2.gz PBZYKVZCXCUKST-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1ccccc1CCNc1cnccc1-c1nn[n-]n1 ZINC000826500231 705805127 /nfs/dbraw/zinc/80/51/27/705805127.db2.gz PBZYKVZCXCUKST-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=C([N-][C@@H]1COCCC1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000862934800 705829403 /nfs/dbraw/zinc/82/94/03/705829403.db2.gz URGCQNLNESQXFZ-SNVBAGLBSA-N -1 3 314.244 1.161 20 5 DDBDHM O=C([O-])C[C@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000833211154 707002146 /nfs/dbraw/zinc/00/21/46/707002146.db2.gz DUHKKWCPOJJCOS-LLVKDONJSA-N -1 3 304.306 1.841 20 5 DDBDHM CO[C@@]1(C(=O)[O-])CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000901542086 710070089 /nfs/dbraw/zinc/07/00/89/710070089.db2.gz NBIGIEQGWMXEOU-HNNXBMFYSA-N -1 3 308.334 1.887 20 5 DDBDHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000921422508 713765684 /nfs/dbraw/zinc/76/56/84/713765684.db2.gz YZEYEFOJJNKYHV-MRVPVSSYSA-N -1 3 320.342 1.826 20 5 DDBDHM O=C(N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001059458204 740955412 /nfs/dbraw/zinc/95/54/12/740955412.db2.gz BVIIQZRSDRWDMY-ZKCHVHJHSA-N -1 3 320.284 1.225 20 5 DDBDHM O=C(N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001059880507 741852895 /nfs/dbraw/zinc/85/28/95/741852895.db2.gz MVYINHQOKGRIOR-DTORHVGOSA-N -1 3 320.284 1.225 20 5 DDBDHM NCc1nc(=O)[n-]n1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001168756624 750726718 /nfs/dbraw/zinc/72/67/18/750726718.db2.gz SJGHFCLQXUGIIO-UHFFFAOYSA-N -1 3 304.241 1.027 20 5 DDBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc([O-])cn2)n1 ZINC001212558825 750835181 /nfs/dbraw/zinc/83/51/81/750835181.db2.gz HKEADJJWJGXBTK-UHFFFAOYSA-N -1 3 303.209 1.947 20 5 DDBDHM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097018821 771580977 /nfs/dbraw/zinc/58/09/77/771580977.db2.gz KDRKSXRPQOKTSH-IUNRCPQZSA-N -1 3 306.322 1.721 20 5 DDBDHM CCn1nc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC001148257072 773413128 /nfs/dbraw/zinc/41/31/28/773413128.db2.gz LBEPPKUIVOKDOC-UHFFFAOYSA-N -1 3 305.294 1.781 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C(F)F)CC1 ZINC001093900482 775234912 /nfs/dbraw/zinc/23/49/12/775234912.db2.gz YUSLUSNTOLLBOI-UHFFFAOYSA-N -1 3 316.264 1.269 20 5 DDBDHM COCCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094319593 775680001 /nfs/dbraw/zinc/68/00/01/775680001.db2.gz NYVLKAJKNGBWNI-UHFFFAOYSA-N -1 3 312.326 1.040 20 5 DDBDHM CCN(CCNC(=O)C1=CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100499083 776239183 /nfs/dbraw/zinc/23/91/83/776239183.db2.gz UTJKUBNECMZDKO-UHFFFAOYSA-N -1 3 320.349 1.748 20 5 DDBDHM CSc1nc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])n[n-]1 ZINC001142712524 861243185 /nfs/dbraw/zinc/24/31/85/861243185.db2.gz BUOYYAZHFFVMPI-UHFFFAOYSA-N -1 3 311.298 1.755 20 5 DDBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C2 ZINC001307179397 871404256 /nfs/dbraw/zinc/40/42/56/871404256.db2.gz OTQVRHGCHPDBFW-UHFFFAOYSA-N -1 3 315.289 1.018 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CCO)c([N+](=O)[O-])s1 ZINC001309247083 871557653 /nfs/dbraw/zinc/55/76/53/871557653.db2.gz ZUPHBOUUGPZRRV-UHFFFAOYSA-N -1 3 322.408 1.652 20 5 DDBDHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001317887908 871619791 /nfs/dbraw/zinc/61/97/91/871619791.db2.gz IGEXYEAEYVMWGL-UHFFFAOYSA-N -1 3 316.317 1.648 20 5 DDBDHM COC[C@H](C)OC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689948 883621253 /nfs/dbraw/zinc/62/12/53/883621253.db2.gz XRUGASNEVXETAI-DTWKUNHWSA-N -1 3 300.311 1.823 20 5 DDBDHM O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000076944864 185059720 /nfs/dbraw/zinc/05/97/20/185059720.db2.gz HMSOKDJBVGAALS-UHFFFAOYSA-N -1 3 307.350 1.906 20 5 DDBDHM Cc1ncc(CNc2nc3sccn3c2[N+](=O)[O-])c(=O)[n-]1 ZINC000343602885 282706379 /nfs/dbraw/zinc/70/63/79/282706379.db2.gz MKCYZYYJPBOEKD-UHFFFAOYSA-N -1 3 306.307 1.720 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000072714308 191222123 /nfs/dbraw/zinc/22/21/23/191222123.db2.gz UCDDTLQCLKWAPQ-UHFFFAOYSA-N -1 3 311.319 1.410 20 5 DDBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000358600957 299204354 /nfs/dbraw/zinc/20/43/54/299204354.db2.gz PFMXNRBKSBMKAP-SECBINFHSA-N -1 3 316.335 1.215 20 5 DDBDHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000080727401 353625378 /nfs/dbraw/zinc/62/53/78/353625378.db2.gz WQXXCTSFHCCYLG-SNVBAGLBSA-N -1 3 324.362 1.851 20 5 DDBDHM O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586776411 354864686 /nfs/dbraw/zinc/86/46/86/354864686.db2.gz HGZMWSOLWUKSBC-LLVKDONJSA-N -1 3 305.334 1.515 20 5 DDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558781 355114270 /nfs/dbraw/zinc/11/42/70/355114270.db2.gz UVYYGRDXFNNHFE-UHFFFAOYSA-N -1 3 316.277 1.320 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000074973268 191398958 /nfs/dbraw/zinc/39/89/58/191398958.db2.gz BDVDVZITNYZDTL-LBPRGKRZSA-N -1 3 316.379 1.934 20 5 DDBDHM CC(C)(CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000591688930 355363528 /nfs/dbraw/zinc/36/35/28/355363528.db2.gz KIDLPBMYSRXARA-UHFFFAOYSA-N -1 3 324.333 1.957 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979533 355762008 /nfs/dbraw/zinc/76/20/08/355762008.db2.gz FGALBHLTECBPOA-WDEREUQCSA-N -1 3 320.349 1.751 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000593571004 355929456 /nfs/dbraw/zinc/92/94/56/355929456.db2.gz DKUMVWIKUDPZHC-UWVGGRQHSA-N -1 3 315.351 1.083 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)CC=CC1 ZINC000594474169 356229062 /nfs/dbraw/zinc/22/90/62/356229062.db2.gz PEFSROIOOIDFER-UHFFFAOYSA-N -1 3 312.347 1.990 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594807446 356324452 /nfs/dbraw/zinc/32/44/52/356324452.db2.gz YIINLTFGKVSAGX-JTQLQIEISA-N -1 3 300.336 1.034 20 5 DDBDHM COc1cc(CN[C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1[O-] ZINC000594985855 356368166 /nfs/dbraw/zinc/36/81/66/356368166.db2.gz AYIMBLUQARFXTN-KBPBESRZSA-N -1 3 308.334 1.702 20 5 DDBDHM Cc1cccc(OC[C@@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596088323 356768075 /nfs/dbraw/zinc/76/80/75/356768075.db2.gz OJWCIWPFNVOAOO-NSHDSACASA-N -1 3 319.317 1.856 20 5 DDBDHM CC(C)C(=O)NC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596110909 356775835 /nfs/dbraw/zinc/77/58/35/356775835.db2.gz VAQVSSYILPTJDL-LLVKDONJSA-N -1 3 322.365 1.684 20 5 DDBDHM Cn1ccnc1N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596207448 356814090 /nfs/dbraw/zinc/81/40/90/356814090.db2.gz QRLPSJUOJCXFBO-UHFFFAOYSA-N -1 3 318.337 1.510 20 5 DDBDHM CCO[C@H]1C[C@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596206195 356814272 /nfs/dbraw/zinc/81/42/72/356814272.db2.gz ILYJADJJIYCXFG-HZMBPMFUSA-N -1 3 311.338 1.673 20 5 DDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000596216269 356818133 /nfs/dbraw/zinc/81/81/33/356818133.db2.gz KZDRYZMZIBJCCP-HFAKWTLXSA-N -1 3 323.349 1.858 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000596619386 356934457 /nfs/dbraw/zinc/93/44/57/356934457.db2.gz IJQQGSVYPGREQZ-UHFFFAOYSA-N -1 3 304.310 1.897 20 5 DDBDHM CC(C)(C)N1CC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597921011 357381687 /nfs/dbraw/zinc/38/16/87/357381687.db2.gz DQVWGKOXBMCIAZ-SNVBAGLBSA-N -1 3 307.350 1.903 20 5 DDBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599459384 357946496 /nfs/dbraw/zinc/94/64/96/357946496.db2.gz IOTIXFNGYZZSEK-BSTOTGJRSA-N -1 3 314.363 1.685 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000599478093 357951314 /nfs/dbraw/zinc/95/13/14/357951314.db2.gz PZWXGWWLRIISPB-OTSSQURYSA-N -1 3 320.754 1.297 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CO)c1 ZINC000180036136 199110645 /nfs/dbraw/zinc/11/06/45/199110645.db2.gz NPRKJHZYVDZAKU-SSDOTTSWSA-N -1 3 308.743 1.216 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])s1 ZINC000601434338 358551607 /nfs/dbraw/zinc/55/16/07/358551607.db2.gz GKUYUOAQFDKQNQ-IONNQARKSA-N -1 3 320.392 1.811 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000603501590 359650520 /nfs/dbraw/zinc/65/05/20/359650520.db2.gz SQRZFANZLWVQRI-SECBINFHSA-N -1 3 320.305 1.138 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000609648864 360340497 /nfs/dbraw/zinc/34/04/97/360340497.db2.gz UXXZHHBZPJSYSO-LLVKDONJSA-N -1 3 305.294 1.228 20 5 DDBDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000338726436 250107159 /nfs/dbraw/zinc/10/71/59/250107159.db2.gz ODWOKZIJMQCYTQ-QWRGUYRKSA-N -1 3 314.363 1.831 20 5 DDBDHM O=c1nc(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH][n-]1 ZINC000289480646 221006995 /nfs/dbraw/zinc/00/69/95/221006995.db2.gz RRJJFCRWFCDCSL-UHFFFAOYSA-N -1 3 321.312 1.525 20 5 DDBDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000289584103 221083946 /nfs/dbraw/zinc/08/39/46/221083946.db2.gz PGMIQWQDBZNDSM-ZJUUUORDSA-N -1 3 302.352 1.605 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120964431 195273266 /nfs/dbraw/zinc/27/32/66/195273266.db2.gz RXZFDDKYDSXTBK-MRVPVSSYSA-N -1 3 306.315 1.173 20 5 DDBDHM COc1ccc(C(=O)[N-]c2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000457157499 533350426 /nfs/dbraw/zinc/35/04/26/533350426.db2.gz RVQXGOYLKBRMLI-UHFFFAOYSA-N -1 3 317.305 1.784 20 5 DDBDHM C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075939508 406947519 /nfs/dbraw/zinc/94/75/19/406947519.db2.gz BMBMNCVNFGTTPA-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC000085987661 407107162 /nfs/dbraw/zinc/10/71/62/407107162.db2.gz XFHYZWSSEAXSNL-CMPLNLGQSA-N -1 3 314.363 1.424 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCO)cc1C ZINC000094947111 407204582 /nfs/dbraw/zinc/20/45/82/407204582.db2.gz OVVDTRLORKDARS-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C2CCOCC2)cc1[N+](=O)[O-] ZINC000123244636 407323642 /nfs/dbraw/zinc/32/36/42/407323642.db2.gz OZZKQISSYPBWCJ-UHFFFAOYSA-N -1 3 306.365 1.422 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000124472209 407359549 /nfs/dbraw/zinc/35/95/49/407359549.db2.gz UHXYRKXJSOVJMQ-JGVFFNPUSA-N -1 3 322.408 1.650 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cnn(C)c1 ZINC000266156278 407530439 /nfs/dbraw/zinc/53/04/39/407530439.db2.gz GNYPJWUYBFNNKU-SNVBAGLBSA-N -1 3 324.362 1.676 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272493324 407947708 /nfs/dbraw/zinc/94/77/08/407947708.db2.gz CPQSZZCAQHMBKT-QMTHXVAHSA-N -1 3 305.334 1.467 20 5 DDBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000268157666 407920906 /nfs/dbraw/zinc/92/09/06/407920906.db2.gz HKCYPDYMQWWXHZ-SKDRFNHKSA-N -1 3 305.334 1.513 20 5 DDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000263771314 408249358 /nfs/dbraw/zinc/24/93/58/408249358.db2.gz CSNWOXFGKBJQGG-LLVKDONJSA-N -1 3 316.379 1.915 20 5 DDBDHM C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269302061 408261203 /nfs/dbraw/zinc/26/12/03/408261203.db2.gz USIPWXOTPRHTAA-QMTHXVAHSA-N -1 3 307.350 1.713 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127352781 161921903 /nfs/dbraw/zinc/92/19/03/161921903.db2.gz LQUUOHPXQVTVGQ-UHFFFAOYSA-N -1 3 314.363 1.426 20 5 DDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000280817856 408840426 /nfs/dbraw/zinc/84/04/26/408840426.db2.gz UQZLKYWWGLDEQK-GMSGAONNSA-N -1 3 318.326 1.819 20 5 DDBDHM CC(C)(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[N+](=O)[O-] ZINC000294497876 409293461 /nfs/dbraw/zinc/29/34/61/409293461.db2.gz JLCOTUJCXONRNN-UHFFFAOYSA-N -1 3 304.310 1.641 20 5 DDBDHM CC(C)(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[N+](=O)[O-] ZINC000294497876 409293462 /nfs/dbraw/zinc/29/34/62/409293462.db2.gz JLCOTUJCXONRNN-UHFFFAOYSA-N -1 3 304.310 1.641 20 5 DDBDHM CCCc1[nH]nc(C(=O)[N-]c2nncn2C2CC2)c1[N+](=O)[O-] ZINC000285566553 409492181 /nfs/dbraw/zinc/49/21/81/409492181.db2.gz AAQAILVRDIDFAC-UHFFFAOYSA-N -1 3 305.298 1.449 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798507 409617377 /nfs/dbraw/zinc/61/73/77/409617377.db2.gz GLOLHYMIOYYQEO-XPTSAGLGSA-N -1 3 305.334 1.513 20 5 DDBDHM CCCc1n[nH]c(C(=O)NCc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC000345100391 409628761 /nfs/dbraw/zinc/62/87/61/409628761.db2.gz DRGFWWFWLOKJNO-UHFFFAOYSA-N -1 3 320.309 1.004 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccno2)cc1[N+](=O)[O-] ZINC000342490118 409669862 /nfs/dbraw/zinc/66/98/62/409669862.db2.gz GPFGRLDVRWHIFC-UHFFFAOYSA-N -1 3 303.321 1.431 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332646027 410193844 /nfs/dbraw/zinc/19/38/44/410193844.db2.gz SNPNGBOPKFNUCM-MFKMUULPSA-N -1 3 318.333 1.200 20 5 DDBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000330453452 410703400 /nfs/dbraw/zinc/70/34/00/410703400.db2.gz LJAAOBOUSNOYJP-WBMJQRKESA-N -1 3 321.377 1.453 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccco2)c(F)c1 ZINC000340162523 410719351 /nfs/dbraw/zinc/71/93/51/410719351.db2.gz BFNLCVRDOFEJOV-UHFFFAOYSA-N -1 3 314.294 1.848 20 5 DDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ncccc2[O-])c1 ZINC000360039767 411017434 /nfs/dbraw/zinc/01/74/34/411017434.db2.gz QXQBBNSJTLIJJY-UHFFFAOYSA-N -1 3 309.303 1.174 20 5 DDBDHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295587296 225018350 /nfs/dbraw/zinc/01/83/50/225018350.db2.gz WFSWUSPPQQMNBV-SECBINFHSA-N -1 3 302.352 1.423 20 5 DDBDHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416651045 225019502 /nfs/dbraw/zinc/01/95/02/225019502.db2.gz AZRAJVJFJCOMLY-DKTWLAJQSA-N -1 3 320.754 1.440 20 5 DDBDHM O=C([N-][C@H]1CCCNC1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000295642337 225075854 /nfs/dbraw/zinc/07/58/54/225075854.db2.gz DDJWWDPVPFWDLR-JTQLQIEISA-N -1 3 313.260 1.081 20 5 DDBDHM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1 ZINC000360538244 418459742 /nfs/dbraw/zinc/45/97/42/418459742.db2.gz AGBMQXVRRWIREZ-UHFFFAOYSA-N -1 3 310.339 1.631 20 5 DDBDHM O=C(NCc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367648103 418619378 /nfs/dbraw/zinc/61/93/78/418619378.db2.gz FDLXEJHPMNIKTN-UHFFFAOYSA-N -1 3 313.313 1.834 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccn(C)n1 ZINC000416566707 420419754 /nfs/dbraw/zinc/41/97/54/420419754.db2.gz XDRIVFLVNNIRFP-JTQLQIEISA-N -1 3 324.362 1.676 20 5 DDBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000416547300 420413206 /nfs/dbraw/zinc/41/32/06/420413206.db2.gz MOSYQQLGMUVGME-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)[C@@H]2C1 ZINC000563204344 421470624 /nfs/dbraw/zinc/47/06/24/421470624.db2.gz BOTCAGDUFYSTHG-QMTHXVAHSA-N -1 3 305.334 1.823 20 5 DDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC000133507029 281500724 /nfs/dbraw/zinc/50/07/24/281500724.db2.gz WJRIXHPWEJPSJT-UHFFFAOYSA-N -1 3 302.286 1.979 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccn(C)c1=O ZINC000114119648 302050822 /nfs/dbraw/zinc/05/08/22/302050822.db2.gz NLCWROIUKJHIIE-UHFFFAOYSA-N -1 3 323.330 1.403 20 5 DDBDHM COC(=O)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000531888901 303263777 /nfs/dbraw/zinc/26/37/77/303263777.db2.gz OEVNBDFBWYKWAY-UHFFFAOYSA-N -1 3 308.275 1.485 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@H](C)C2)c1C ZINC000576633665 308328431 /nfs/dbraw/zinc/32/84/31/308328431.db2.gz KZOWDOVCGOOGNB-MWLCHTKSSA-N -1 3 314.363 1.667 20 5 DDBDHM NC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCC1 ZINC000576750475 308336775 /nfs/dbraw/zinc/33/67/75/308336775.db2.gz AEGJMPDGHYFNBR-UHFFFAOYSA-N -1 3 301.306 1.227 20 5 DDBDHM CC/C=C\C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000451772327 528800918 /nfs/dbraw/zinc/80/09/18/528800918.db2.gz JMJQEUAEPGCBMO-PLNGDYQASA-N -1 3 318.326 1.987 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COc1cc(C[NH2+]C[C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001326704276 861558906 /nfs/dbraw/zinc/55/89/06/861558906.db2.gz JDDHVJVHFKLWFK-NSHDSACASA-N -1 3 324.333 1.900 20 5 DDBDHM Cc1cncc([N+](=O)[O-])c1NCCNC(=O)c1ccc([O-])cc1 ZINC001320588852 866861454 /nfs/dbraw/zinc/86/14/54/866861454.db2.gz CAPPHKTWOOJZHZ-UHFFFAOYSA-N -1 3 316.317 1.268 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001309193758 871553971 /nfs/dbraw/zinc/55/39/71/871553971.db2.gz LJNICIXWYAMOIG-UHFFFAOYSA-N -1 3 308.319 1.172 20 5 DDBDHM Cn1ccnc1[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001261656030 899686750 /nfs/dbraw/zinc/68/67/50/899686750.db2.gz NEUUZHMILPMMAH-ONGXEEELSA-N -1 3 319.321 1.761 20 5 DDBDHM C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000159398464 297258337 /nfs/dbraw/zinc/25/83/37/297258337.db2.gz UFAJVUMQYURDRE-MNOVXSKESA-N -1 3 307.350 1.855 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(C)c2Cl)n1 ZINC000617384357 363082423 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COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000593526089 355914338 /nfs/dbraw/zinc/91/43/38/355914338.db2.gz CUERNDYRPASFMR-SECBINFHSA-N -1 3 316.335 1.133 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)nc1 ZINC000593559589 355925613 /nfs/dbraw/zinc/92/56/13/355925613.db2.gz AEYBWIWZJDHAGD-QMMMGPOBSA-N -1 3 303.365 1.164 20 5 DDBDHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593561387 355926349 /nfs/dbraw/zinc/92/63/49/355926349.db2.gz BPXYSOYEJBOJMN-UWVGGRQHSA-N -1 3 315.351 1.083 20 5 DDBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593567565 355927774 /nfs/dbraw/zinc/92/77/74/355927774.db2.gz SJOAGZNRYJXQQQ-SECBINFHSA-N -1 3 315.351 1.226 20 5 DDBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593568870 355928928 /nfs/dbraw/zinc/92/89/28/355928928.db2.gz LFYQEOMITLGOHO-IUCAKERBSA-N -1 3 315.351 1.224 20 5 DDBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593625020 355946536 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1.368 20 5 DDBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1=CCN(C)CC1 ZINC000273035508 299247263 /nfs/dbraw/zinc/24/72/63/299247263.db2.gz VLZGJMDJFMOYEX-JTQLQIEISA-N -1 3 305.334 1.681 20 5 DDBDHM CS(=O)(=O)CC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596317605 356855731 /nfs/dbraw/zinc/85/57/31/356855731.db2.gz OETQJAIMLHWWDO-UHFFFAOYSA-N -1 3 315.351 1.322 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598621537 357657435 /nfs/dbraw/zinc/65/74/35/357657435.db2.gz IEOCSDQAOBZIMH-MRVPVSSYSA-N -1 3 306.290 1.918 20 5 DDBDHM C/C=C\C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599475276 357949515 /nfs/dbraw/zinc/94/95/15/357949515.db2.gz KWBLWKHKKUEHQM-IHWYPQMZSA-N -1 3 314.319 1.220 20 5 DDBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276658458 213029360 /nfs/dbraw/zinc/02/93/60/213029360.db2.gz DRESCQNIPJCIPV-VIFPVBQESA-N -1 3 316.335 1.051 20 5 DDBDHM COc1cc(CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565845429 304098074 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CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc3c[nH]nc32)n1 ZINC000427119470 419595730 /nfs/dbraw/zinc/59/57/30/419595730.db2.gz JMGHGKNCYUOLRZ-UHFFFAOYSA-N -1 3 300.278 1.940 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2C(C)=O)n1 ZINC000427337919 419641651 /nfs/dbraw/zinc/64/16/51/419641651.db2.gz XDNNTRGXDRQEEZ-UHFFFAOYSA-N -1 3 303.278 1.083 20 5 DDBDHM CC1(C)CCCN1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457061294 420599383 /nfs/dbraw/zinc/59/93/83/420599383.db2.gz SQSRMLNINSFCBE-UHFFFAOYSA-N -1 3 307.350 1.905 20 5 DDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493372112 420831493 /nfs/dbraw/zinc/83/14/93/420831493.db2.gz RZBOTMZSTDSYIH-RYWCDNDXSA-N -1 3 312.297 1.812 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000449430584 421011560 /nfs/dbraw/zinc/01/15/60/421011560.db2.gz BZKNDTNBZYKUSW-PEYYIBSZSA-N -1 3 322.361 1.662 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000517930136 421633786 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C[C@@H]1CCCCN1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570970107 308186718 /nfs/dbraw/zinc/18/67/18/308186718.db2.gz INNKFHILBIXHJV-SNVBAGLBSA-N -1 3 308.338 1.974 20 5 DDBDHM O=c1[n-]cnc2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000583957685 331488840 /nfs/dbraw/zinc/48/88/40/331488840.db2.gz IINVUQKPQXBIIV-UHFFFAOYSA-N -1 3 307.697 1.702 20 5 DDBDHM CC(C)(C)n1cnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445156907 526936335 /nfs/dbraw/zinc/93/63/35/526936335.db2.gz HKWAUWPIUFAWFP-UHFFFAOYSA-N -1 3 306.282 1.294 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H](C)O ZINC000451889908 529194327 /nfs/dbraw/zinc/19/43/27/529194327.db2.gz KYALWLIOJYSALT-GHMZBOCLSA-N -1 3 316.379 1.649 20 5 DDBDHM CCSc1nccnc1C(=O)[N-]c1c([N+](=O)[O-])cnn1C ZINC000430794517 529263910 /nfs/dbraw/zinc/26/39/10/529263910.db2.gz QQTNRRFVFYWUKW-UHFFFAOYSA-N -1 3 308.323 1.483 20 5 DDBDHM CC[C@](C)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC ZINC000451795412 529363373 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CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C ZINC000821678574 599687397 /nfs/dbraw/zinc/68/73/97/599687397.db2.gz PMYGJJHHGNGQAM-SNVBAGLBSA-N -1 3 321.341 1.643 20 5 DDBDHM C[C@@H](CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)[O-] ZINC000736569976 600372051 /nfs/dbraw/zinc/37/20/51/600372051.db2.gz AAPDZBDCWZDJBF-GWCFXTLKSA-N -1 3 321.333 1.353 20 5 DDBDHM CC(C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000736311074 600800519 /nfs/dbraw/zinc/80/05/19/600800519.db2.gz HDTFGWVNNGOKHF-UHFFFAOYSA-N -1 3 310.306 1.804 20 5 DDBDHM Cc1cnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822394955 606061213 /nfs/dbraw/zinc/06/12/13/606061213.db2.gz LYYRUDOKTNDJAT-UHFFFAOYSA-N -1 3 301.266 1.683 20 5 DDBDHM Cc1cnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000822394955 606061219 /nfs/dbraw/zinc/06/12/19/606061219.db2.gz LYYRUDOKTNDJAT-UHFFFAOYSA-N -1 3 301.266 1.683 20 5 DDBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823647696 606106298 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O=[N+]([O-])c1cnc(N2CCC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823648027 606947729 /nfs/dbraw/zinc/94/77/29/606947729.db2.gz RZPPVSSXNRKFGK-UHFFFAOYSA-N -1 3 301.310 1.550 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CCC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823648027 606947731 /nfs/dbraw/zinc/94/77/31/606947731.db2.gz RZPPVSSXNRKFGK-UHFFFAOYSA-N -1 3 301.310 1.550 20 5 DDBDHM C[C@@H]1[C@H](C)OCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820818944 607029172 /nfs/dbraw/zinc/02/91/72/607029172.db2.gz CUOIWSQZBDEECO-BDAKNGLRSA-N -1 3 304.310 1.389 20 5 DDBDHM C[C@@H]1[C@H](C)OCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820818944 607029174 /nfs/dbraw/zinc/02/91/74/607029174.db2.gz CUOIWSQZBDEECO-BDAKNGLRSA-N -1 3 304.310 1.389 20 5 DDBDHM C[C@@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[S@](C)=O ZINC000820242696 607041308 /nfs/dbraw/zinc/04/13/08/607041308.db2.gz PKGAKBOJCCDETG-ZCAPAMDOSA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[S@](C)=O ZINC000820242696 607041309 /nfs/dbraw/zinc/04/13/09/607041309.db2.gz PKGAKBOJCCDETG-ZCAPAMDOSA-N -1 3 324.366 1.344 20 5 DDBDHM Cc1nnc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822511038 607111766 /nfs/dbraw/zinc/11/17/66/607111766.db2.gz ZTPMIDGBCUXWOZ-ZCFIWIBFSA-N -1 3 316.281 1.639 20 5 DDBDHM Cc1nnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000822511038 607111767 /nfs/dbraw/zinc/11/17/67/607111767.db2.gz ZTPMIDGBCUXWOZ-ZCFIWIBFSA-N -1 3 316.281 1.639 20 5 DDBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000022263204 696076585 /nfs/dbraw/zinc/07/65/85/696076585.db2.gz TZCCCLPNJVKEAQ-UHFFFAOYSA-N -1 3 304.218 1.856 20 5 DDBDHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839710264 701792570 /nfs/dbraw/zinc/79/25/70/701792570.db2.gz QSUXJSKFNOFYQJ-NXEZZACHSA-N -1 3 304.224 1.918 20 5 DDBDHM O=C([O-])[C@@H]1CSCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000851706804 703833611 /nfs/dbraw/zinc/83/36/11/703833611.db2.gz ZEUKYOZBLISDGX-RYUDHWBXSA-N -1 3 312.347 1.130 20 5 DDBDHM CC(C)[C@@H](CO)O[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000836892065 707540317 /nfs/dbraw/zinc/54/03/17/707540317.db2.gz MLOGFHDOCUBYQB-SNVBAGLBSA-N -1 3 302.714 1.927 20 5 DDBDHM C[C@@H]1COC[C@@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000902965262 710977442 /nfs/dbraw/zinc/97/74/42/710977442.db2.gz RDDNGZVGCBWXOE-KCJUWKMLSA-N -1 3 316.260 1.718 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCN2C)cc1F ZINC000921411876 713760924 /nfs/dbraw/zinc/76/09/24/713760924.db2.gz AOVUSPGQWVQEHW-VIFPVBQESA-N -1 3 317.342 1.025 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CCC(C)(C)O)c(F)cc1[N+](=O)[O-] ZINC001211592403 735104891 /nfs/dbraw/zinc/10/48/91/735104891.db2.gz QGAVERHCHDSBRM-UHFFFAOYSA-N -1 3 320.342 1.482 20 5 DDBDHM O=c1[n-]ccc(NCc2nc3c(s2)COCC3)c1[N+](=O)[O-] ZINC001187694357 744593584 /nfs/dbraw/zinc/59/35/84/744593584.db2.gz MOULMBACTUQZSL-UHFFFAOYSA-N -1 3 308.319 1.837 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCSC2)nc1 ZINC001193628696 746154440 /nfs/dbraw/zinc/15/44/40/746154440.db2.gz PVTGCKJMVCKHEP-VIFPVBQESA-N -1 3 317.392 1.411 20 5 DDBDHM COc1ccc(C[C@H](C)NCC(=O)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001170317338 766247242 /nfs/dbraw/zinc/24/72/42/766247242.db2.gz GGKQFQFOEQPLRN-JTQLQIEISA-N -1 3 324.333 1.558 20 5 DDBDHM COc1ccc(C[C@@H](C)Nc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001170326370 766252997 /nfs/dbraw/zinc/25/29/97/766252997.db2.gz IDJDGOOJNUMQSF-RNCFNFMXSA-N -1 3 318.333 1.522 20 5 DDBDHM NCc1nc(=O)[n-]n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001157933336 767380596 /nfs/dbraw/zinc/38/05/96/767380596.db2.gz UISXEYYEFNXRDD-UHFFFAOYSA-N -1 3 305.081 1.042 20 5 DDBDHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1csc([N+](=O)[O-])c1 ZINC001144527273 772560052 /nfs/dbraw/zinc/56/00/52/772560052.db2.gz DISOJXWAYPNJGN-UHFFFAOYSA-N -1 3 312.332 1.371 20 5 DDBDHM CSCCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099907908 773941485 /nfs/dbraw/zinc/94/14/85/773941485.db2.gz LJJLKXYYDOYPKQ-UHFFFAOYSA-N -1 3 314.367 1.001 20 5 DDBDHM Cc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1C ZINC001093508939 774754607 /nfs/dbraw/zinc/75/46/07/774754607.db2.gz LZORNWCLDRJKIL-UHFFFAOYSA-N -1 3 319.321 1.184 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cn1 ZINC001093561996 774888783 /nfs/dbraw/zinc/88/87/83/774888783.db2.gz NCULEQCMIJDYTF-UHFFFAOYSA-N -1 3 321.268 1.071 20 5 DDBDHM CCN(CCNC(=O)CC1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100495170 776234634 /nfs/dbraw/zinc/23/46/34/776234634.db2.gz YERDOVFETOLJOW-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccco1 ZINC001101476941 777161693 /nfs/dbraw/zinc/16/16/93/777161693.db2.gz VFHAEQJHKONLDH-UHFFFAOYSA-N -1 3 306.278 1.473 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccn(C)c1 ZINC001101558583 777247458 /nfs/dbraw/zinc/24/74/58/777247458.db2.gz XBWYWANLWQIOPY-UHFFFAOYSA-N -1 3 319.321 1.218 20 5 DDBDHM CCCC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112020784 779599029 /nfs/dbraw/zinc/59/90/29/779599029.db2.gz ARFQDRPMNPAUJW-UHFFFAOYSA-N -1 3 310.354 1.780 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001164382441 869171287 /nfs/dbraw/zinc/17/12/87/869171287.db2.gz OAZHGGWJAJZSFY-QMMMGPOBSA-N -1 3 302.294 1.395 20 5 DDBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300194704 877115533 /nfs/dbraw/zinc/11/55/33/877115533.db2.gz QGQMKTIBXOBMCR-ZETCQYMHSA-N -1 3 308.319 1.715 20 5 DDBDHM O=[N+]([O-])c1cnc(O[C@H]2CCCC3(C2)OCCO3)c2[n-]cnc21 ZINC001227691898 883133838 /nfs/dbraw/zinc/13/38/38/883133838.db2.gz RRYULHWGOYDFEK-VIFPVBQESA-N -1 3 320.305 1.931 20 5 DDBDHM COC(=O)[C@@H]1C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1(C)C ZINC001227689606 883134127 /nfs/dbraw/zinc/13/41/27/883134127.db2.gz AOIJHNQLZSUDSB-CBAPKCEASA-N -1 3 320.305 1.833 20 5 DDBDHM CCOC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F ZINC001228688282 883618917 /nfs/dbraw/zinc/61/89/17/883618917.db2.gz GJTCJWHJCPOOLZ-SECBINFHSA-N -1 3 324.211 1.877 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCCO)c([N+](=O)[O-])c1 ZINC000451718010 231172506 /nfs/dbraw/zinc/17/25/06/231172506.db2.gz DDCYOVNPUIOSHS-LLVKDONJSA-N -1 3 316.379 1.733 20 5 DDBDHM COc1ccc(OCC(=O)[N-]c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000011674632 352144055 /nfs/dbraw/zinc/14/40/55/352144055.db2.gz OBHZKVPHNZKUKF-UHFFFAOYSA-N -1 3 307.262 1.917 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC2)cc1C ZINC000057755563 352827789 /nfs/dbraw/zinc/82/77/89/352827789.db2.gz BDDYXYMWMLQTJT-LLVKDONJSA-N -1 3 314.363 1.526 20 5 DDBDHM Cc1nn(CCC(=O)Nc2ncccc2[O-])c(C)c1[N+](=O)[O-] ZINC000060364064 352869143 /nfs/dbraw/zinc/86/91/43/352869143.db2.gz VXNMRFAOMAGWLK-UHFFFAOYSA-N -1 3 305.294 1.538 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000355721158 290983181 /nfs/dbraw/zinc/98/31/81/290983181.db2.gz DIMYKXAFUFIDQI-QWRGUYRKSA-N -1 3 314.363 1.688 20 5 DDBDHM O=C([O-])CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000593332321 355856070 /nfs/dbraw/zinc/85/60/70/355856070.db2.gz KZXHMCGUDLZCII-UHFFFAOYSA-N -1 3 322.317 1.663 20 5 DDBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593625018 355946421 /nfs/dbraw/zinc/94/64/21/355946421.db2.gz QGQMOSPONKMNMG-GXSJLCMTSA-N -1 3 317.367 1.065 20 5 DDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1CCC1 ZINC000594782870 356315724 /nfs/dbraw/zinc/31/57/24/356315724.db2.gz PIHXDZQSPDLVKE-UHFFFAOYSA-N -1 3 307.331 1.974 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594790161 356317717 /nfs/dbraw/zinc/31/77/17/356317717.db2.gz SQHWQPFRKSEEFV-QMMMGPOBSA-N -1 3 320.392 1.811 20 5 DDBDHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595392252 356475896 /nfs/dbraw/zinc/47/58/96/356475896.db2.gz KWDFVKNPLQZXNH-SECBINFHSA-N -1 3 315.351 1.083 20 5 DDBDHM O=c1[n-]ccc(N[C@H]2CCCN(c3ncccn3)C2)c1[N+](=O)[O-] ZINC000596080728 356765656 /nfs/dbraw/zinc/76/56/56/356765656.db2.gz LWDLEFKJRSBTJF-JTQLQIEISA-N -1 3 316.321 1.566 20 5 DDBDHM O=C(C1CCCC1)N1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596161550 356797213 /nfs/dbraw/zinc/79/72/13/356797213.db2.gz GGIKPQDADVPOSN-NSHDSACASA-N -1 3 320.349 1.898 20 5 DDBDHM CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000596252758 356833712 /nfs/dbraw/zinc/83/37/12/356833712.db2.gz QEBOEPZCINJAMJ-VIFPVBQESA-N -1 3 320.357 1.002 20 5 DDBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000596299261 356849714 /nfs/dbraw/zinc/84/97/14/356849714.db2.gz QZMAKEQLQYTNOS-MXWKQRLJSA-N -1 3 310.354 1.605 20 5 DDBDHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000597805218 357338233 /nfs/dbraw/zinc/33/82/33/357338233.db2.gz BOSJSPSPJMJGKP-UHFFFAOYSA-N -1 3 319.325 1.630 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(C)(C)F ZINC000601476434 358570070 /nfs/dbraw/zinc/57/00/70/358570070.db2.gz PHOZJMMODZYZSZ-UHFFFAOYSA-N -1 3 306.315 1.630 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000619484853 364031324 /nfs/dbraw/zinc/03/13/24/364031324.db2.gz JIZZMPCFYBTHSS-SNVBAGLBSA-N -1 3 312.347 1.990 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000266226434 205198131 /nfs/dbraw/zinc/19/81/31/205198131.db2.gz SWPIQTCVKRDFFA-UWVGGRQHSA-N -1 3 300.336 1.298 20 5 DDBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccccn1 ZINC000340076017 250857662 /nfs/dbraw/zinc/85/76/62/250857662.db2.gz JSUSMTRUTJNVTB-UHFFFAOYSA-N -1 3 307.331 1.511 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269095549 207235335 /nfs/dbraw/zinc/23/53/35/207235335.db2.gz JCSZXTZXJLGPTH-JOYOIKCWSA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)cn1C ZINC000066100923 184389364 /nfs/dbraw/zinc/38/93/64/184389364.db2.gz JGPOOWANDGZPLG-SECBINFHSA-N -1 3 324.362 1.676 20 5 DDBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000135568103 207361212 /nfs/dbraw/zinc/36/12/12/207361212.db2.gz VTCAAKFCFUFAPW-UHFFFAOYSA-N -1 3 324.300 1.951 20 5 DDBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000135568103 207361219 /nfs/dbraw/zinc/36/12/19/207361219.db2.gz VTCAAKFCFUFAPW-UHFFFAOYSA-N -1 3 324.300 1.951 20 5 DDBDHM CC(C)N1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000352442009 285053086 /nfs/dbraw/zinc/05/30/86/285053086.db2.gz IGJLNODJMQPRHW-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM C[S@](=O)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445010865 533590548 /nfs/dbraw/zinc/59/05/48/533590548.db2.gz OYFZDGWRVSSHCG-QFIPXVFZSA-N -1 3 321.314 1.685 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(F)(F)CN)c1C ZINC000186987871 292292025 /nfs/dbraw/zinc/29/20/25/292292025.db2.gz SYXHLYCXPONBGU-UHFFFAOYSA-N -1 3 323.321 1.084 20 5 DDBDHM C[C@H](CCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000094947115 407205338 /nfs/dbraw/zinc/20/53/38/407205338.db2.gz DHZKHVZLBQPQKL-MRVPVSSYSA-N -1 3 322.770 1.688 20 5 DDBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119249889 408020893 /nfs/dbraw/zinc/02/08/93/408020893.db2.gz LSROLJUMFFSCKA-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCC(F)F ZINC000190962180 408348564 /nfs/dbraw/zinc/34/85/64/408348564.db2.gz KYZNSSVXMUCYLK-UHFFFAOYSA-N -1 3 324.305 1.463 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)SC ZINC000269773474 408424122 /nfs/dbraw/zinc/42/41/22/408424122.db2.gz QRBYSOQHCLBSQG-MRVPVSSYSA-N -1 3 320.392 1.633 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](O)C(C)(C)C ZINC000269776615 408424133 /nfs/dbraw/zinc/42/41/33/408424133.db2.gz NYSDZBLVTQQWDO-LLVKDONJSA-N -1 3 316.379 1.589 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000342507986 409687638 /nfs/dbraw/zinc/68/76/38/409687638.db2.gz KYQSGTPFHQVBQU-KWQFWETISA-N -1 3 320.392 1.811 20 5 DDBDHM CSc1nnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[n-]1 ZINC000352340554 410631207 /nfs/dbraw/zinc/63/12/07/410631207.db2.gz PPKBVCSCTFFLAR-UHFFFAOYSA-N -1 3 323.290 1.416 20 5 DDBDHM CSc1n[n-]c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000352340554 410631213 /nfs/dbraw/zinc/63/12/13/410631213.db2.gz PPKBVCSCTFFLAR-UHFFFAOYSA-N -1 3 323.290 1.416 20 5 DDBDHM CS(=O)(=O)c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000359905321 410943086 /nfs/dbraw/zinc/94/30/86/410943086.db2.gz UEOPFCWMZIDOGD-UHFFFAOYSA-N -1 3 323.330 1.711 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000360247233 411111540 /nfs/dbraw/zinc/11/15/40/411111540.db2.gz BDUQUHCPXVGIAV-NSHDSACASA-N -1 3 314.363 1.526 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000580452353 422934766 /nfs/dbraw/zinc/93/47/66/422934766.db2.gz YZTNFMCGAHHUCD-JQWIXIFHSA-N -1 3 320.349 1.527 20 5 DDBDHM O=C(Nc1ccc2c(c1)COC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193793131 222163452 /nfs/dbraw/zinc/16/34/52/222163452.db2.gz ZWTFCKNBOHDZBB-UHFFFAOYSA-N -1 3 301.258 1.978 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C[C@H]21 ZINC000375060784 418597878 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CN(Cc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736814264 598755836 /nfs/dbraw/zinc/75/58/36/598755836.db2.gz PKMLNEQDMQMSIX-UHFFFAOYSA-N -1 3 300.282 1.134 20 5 DDBDHM COC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736974101 598817834 /nfs/dbraw/zinc/81/78/34/598817834.db2.gz WVLLOCOZHGZBQM-VIFPVBQESA-N -1 3 319.325 1.033 20 5 DDBDHM COC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736974101 598817836 /nfs/dbraw/zinc/81/78/36/598817836.db2.gz WVLLOCOZHGZBQM-VIFPVBQESA-N -1 3 319.325 1.033 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCC[C@@H]1O ZINC000738358534 599324726 /nfs/dbraw/zinc/32/47/26/599324726.db2.gz MTYZCQDUCSFRBC-SKDRFNHKSA-N -1 3 304.310 1.348 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[C@@H]1O ZINC000738358534 599324731 /nfs/dbraw/zinc/32/47/31/599324731.db2.gz MTYZCQDUCSFRBC-SKDRFNHKSA-N -1 3 304.310 1.348 20 5 DDBDHM CN(Cc1ncc[nH]1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736831526 599348608 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O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC000826500124 607937774 /nfs/dbraw/zinc/93/77/74/607937774.db2.gz MDRZXVGBYKVWOZ-UHFFFAOYSA-N -1 3 323.316 1.733 20 5 DDBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC000826500124 607937775 /nfs/dbraw/zinc/93/77/75/607937775.db2.gz MDRZXVGBYKVWOZ-UHFFFAOYSA-N -1 3 323.316 1.733 20 5 DDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1C ZINC000824961661 608302524 /nfs/dbraw/zinc/30/25/24/608302524.db2.gz FSPUCWBIKYVLSG-IUCAKERBSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1C ZINC000824961661 608302526 /nfs/dbraw/zinc/30/25/26/608302526.db2.gz FSPUCWBIKYVLSG-IUCAKERBSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@@H]1OCC[C@@]1(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825011959 609593834 /nfs/dbraw/zinc/59/38/34/609593834.db2.gz AZNSBNZANGFCDI-ISVAXAHUSA-N -1 3 304.310 1.754 20 5 DDBDHM C[C@@H]1OCC[C@@]1(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825011959 609593836 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1.608 20 5 DDBDHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000351592848 284399856 /nfs/dbraw/zinc/39/98/56/284399856.db2.gz AWWJTACSFANPJV-DLRQAJBASA-N -1 3 314.363 1.509 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)CC(C)C ZINC000040795015 183135609 /nfs/dbraw/zinc/13/56/09/183135609.db2.gz FJRWRGJIGPHFEK-LLVKDONJSA-N -1 3 316.379 1.589 20 5 DDBDHM CNC(=O)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000337198433 249384596 /nfs/dbraw/zinc/38/45/96/249384596.db2.gz ABOUFBWLGKIGNP-UHFFFAOYSA-N -1 3 316.273 1.307 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000185902983 296283400 /nfs/dbraw/zinc/28/34/00/296283400.db2.gz WGCZOFZFILZYOJ-SECBINFHSA-N -1 3 318.293 1.181 20 5 DDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000339106596 250297253 /nfs/dbraw/zinc/29/72/53/250297253.db2.gz KRYFEVSPDZCNJU-UHFFFAOYSA-N -1 3 315.289 1.681 20 5 DDBDHM COCCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000058509375 184121007 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COc1nc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[n-]1 ZINC000413669979 224235887 /nfs/dbraw/zinc/23/58/87/224235887.db2.gz WFTDNSOTFRMESC-UHFFFAOYSA-N -1 3 321.293 1.761 20 5 DDBDHM COc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000413669979 224235889 /nfs/dbraw/zinc/23/58/89/224235889.db2.gz WFTDNSOTFRMESC-UHFFFAOYSA-N -1 3 321.293 1.761 20 5 DDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289487165 221011676 /nfs/dbraw/zinc/01/16/76/221011676.db2.gz SGSYDSXLJWGPLF-GHMZBOCLSA-N -1 3 317.349 1.947 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339774778 296508119 /nfs/dbraw/zinc/50/81/19/296508119.db2.gz YPCPTKYYUHMCFX-HZPDHXFCSA-N -1 3 322.361 1.710 20 5 DDBDHM Cc1ccc(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c([N+](=O)[O-])c1 ZINC000279079997 292131791 /nfs/dbraw/zinc/13/17/91/292131791.db2.gz MNRNGARCACLDGC-AWEZNQCLSA-N -1 3 304.306 1.082 20 5 DDBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572714 407034888 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DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@H](C)O ZINC000228071786 407641046 /nfs/dbraw/zinc/64/10/46/407641046.db2.gz UIVBCWKAWFBOJL-VIFPVBQESA-N -1 3 318.351 1.043 20 5 DDBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119262165 408027230 /nfs/dbraw/zinc/02/72/30/408027230.db2.gz DJOIUULTRVRRMB-VIFPVBQESA-N -1 3 306.315 1.173 20 5 DDBDHM CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000189513953 408037386 /nfs/dbraw/zinc/03/73/86/408037386.db2.gz RFVPGHGKRUFABG-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCO)c1[N+](=O)[O-] ZINC000190000390 408142996 /nfs/dbraw/zinc/14/29/96/408142996.db2.gz MNNQBLIZDRZYHG-JTQLQIEISA-N -1 3 302.352 1.261 20 5 DDBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155572442 408180457 /nfs/dbraw/zinc/18/04/57/408180457.db2.gz BDXZXWQBZSNVKF-UHFFFAOYSA-N -1 3 301.368 1.213 20 5 DDBDHM Cc1nn(CCC(=O)[N-]O[C@H]2CCCCO2)c(C)c1[N+](=O)[O-] ZINC000263856377 408287734 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DDBDHM CCn1ccnc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295191109 409364956 /nfs/dbraw/zinc/36/49/56/409364956.db2.gz ALVQNBPXZIFGAN-UHFFFAOYSA-N -1 3 310.335 1.290 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000342527742 409697517 /nfs/dbraw/zinc/69/75/17/409697517.db2.gz YYFSQWFMTQBSPQ-SSDOTTSWSA-N -1 3 308.406 1.749 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000347154510 410365738 /nfs/dbraw/zinc/36/57/38/410365738.db2.gz LQEOSAGADYIQAA-UHFFFAOYSA-N -1 3 300.196 1.998 20 5 DDBDHM CC(C)(O)CO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298879949 410436226 /nfs/dbraw/zinc/43/62/26/410436226.db2.gz HKIMHFHZOUDBJO-UHFFFAOYSA-N -1 3 310.306 1.376 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000355452927 410525602 /nfs/dbraw/zinc/52/56/02/410525602.db2.gz DGBYIZKGSXXLOL-UHFFFAOYSA-N -1 3 323.334 1.358 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000355452927 410525613 /nfs/dbraw/zinc/52/56/13/410525613.db2.gz 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000432295417 229092877 /nfs/dbraw/zinc/09/28/77/229092877.db2.gz HOYOJSNLRUKGOY-UHFFFAOYSA-N -1 3 300.336 1.034 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c1[N+](=O)[O-] ZINC000425203748 420328691 /nfs/dbraw/zinc/32/86/91/420328691.db2.gz GHOXYKIZMUBOIH-NXEZZACHSA-N -1 3 300.336 1.013 20 5 DDBDHM CCn1ccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000416583057 420424979 /nfs/dbraw/zinc/42/49/79/420424979.db2.gz LTHWXJAJJFSADU-UHFFFAOYSA-N -1 3 324.362 1.431 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000492821260 420676049 /nfs/dbraw/zinc/67/60/49/420676049.db2.gz DEXPFXGBRIIFNR-VOTSOKGWSA-N -1 3 316.273 1.756 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000492821260 420676052 /nfs/dbraw/zinc/67/60/52/420676052.db2.gz DEXPFXGBRIIFNR-VOTSOKGWSA-N -1 3 316.273 1.756 20 5 DDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000471735426 420947343 /nfs/dbraw/zinc/94/73/43/420947343.db2.gz 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DDBDHM O=c1[n-]ccc(N2CCC3(CC2)C[C@H](O)CCO3)c1[N+](=O)[O-] ZINC001187701735 744593900 /nfs/dbraw/zinc/59/39/00/744593900.db2.gz JFBCSJUWNMJNHZ-SNVBAGLBSA-N -1 3 309.322 1.206 20 5 DDBDHM C/C=C(/C)C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106732519 745991540 /nfs/dbraw/zinc/99/15/40/745991540.db2.gz LBECYPCJPSANMS-WMZJFQQLSA-N -1 3 308.338 1.922 20 5 DDBDHM CCOC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC001199815181 748008520 /nfs/dbraw/zinc/00/85/20/748008520.db2.gz VTXWTJHJAAGUMB-UHFFFAOYSA-N -1 3 306.278 1.954 20 5 DDBDHM COCCOc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199815308 748008570 /nfs/dbraw/zinc/00/85/70/748008570.db2.gz ZUQJVABVQCUNFT-UHFFFAOYSA-N -1 3 306.278 1.859 20 5 DDBDHM COCCCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107063897 748877433 /nfs/dbraw/zinc/87/74/33/748877433.db2.gz DEMICSLJFFUIOJ-IHWYPQMZSA-N -1 3 324.337 1.206 20 5 DDBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964498 762157566 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DDBDHM O=C([N-]c1cnoc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001292678254 913919475 /nfs/dbraw/zinc/91/94/75/913919475.db2.gz ZVWFLSSVFOTSPG-UHFFFAOYSA-N -1 3 309.303 1.920 20 5 DDBDHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278310105 214082163 /nfs/dbraw/zinc/08/21/63/214082163.db2.gz YCUJVDFRYFEVFR-YFKPBYRVSA-N -1 3 318.336 1.317 20 5 DDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029939779 352247327 /nfs/dbraw/zinc/24/73/27/352247327.db2.gz YGELOJAOHHLZCN-SSDOTTSWSA-N -1 3 308.743 1.561 20 5 DDBDHM COCCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056066339 352757654 /nfs/dbraw/zinc/75/76/54/352757654.db2.gz SYIHLSLWSAZMEV-UHFFFAOYSA-N -1 3 302.352 1.608 20 5 DDBDHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000120996512 354016040 /nfs/dbraw/zinc/01/60/40/354016040.db2.gz BZYKUELMFYCCDI-JTQLQIEISA-N -1 3 302.352 1.343 20 5 DDBDHM CC1CCN(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000584842937 354781750 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DDBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594474296 356229053 /nfs/dbraw/zinc/22/90/53/356229053.db2.gz HTTGLTSGJIRCIP-UHFFFAOYSA-N -1 3 318.326 1.439 20 5 DDBDHM CC(C)[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000594539774 356245492 /nfs/dbraw/zinc/24/54/92/356245492.db2.gz HSTRCQUEDBEBOX-LLVKDONJSA-N -1 3 324.333 1.812 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595362762 356465239 /nfs/dbraw/zinc/46/52/39/356465239.db2.gz QXWFKUXTXDVQKF-UHFFFAOYSA-N -1 3 312.347 1.992 20 5 DDBDHM O=C(NCC1CC1)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596081211 356765995 /nfs/dbraw/zinc/76/59/95/356765995.db2.gz RKGBMFUNDALZLU-NSHDSACASA-N -1 3 320.349 1.438 20 5 DDBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CN1 ZINC000599104015 357816675 /nfs/dbraw/zinc/81/66/75/357816675.db2.gz KWXRKXMUODMBIB-DTWKUNHWSA-N -1 3 317.342 1.153 20 5 DDBDHM Cc1c(CN2CCN(C(C)(C)C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000600672966 358278359 /nfs/dbraw/zinc/27/83/59/358278359.db2.gz AOSIZSMKEDVEFV-UHFFFAOYSA-N -1 3 321.377 1.884 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC2(N(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601450020 358558745 /nfs/dbraw/zinc/55/87/45/358558745.db2.gz GDGQMDOZVTUEIU-UHFFFAOYSA-N -1 3 319.408 1.337 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601403287 358537365 /nfs/dbraw/zinc/53/73/65/358537365.db2.gz DSYBHUQYNMKDHL-IONNQARKSA-N -1 3 320.392 1.668 20 5 DDBDHM CC1(C)[C@@H]2C(=O)[N-]N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]21 ZINC000601938044 358744648 /nfs/dbraw/zinc/74/46/48/358744648.db2.gz GBCGBODTLHRILT-VHSXEESVSA-N -1 3 309.709 1.898 20 5 DDBDHM C[C@@H]1COCCN1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403026 359618577 /nfs/dbraw/zinc/61/85/77/359618577.db2.gz QRWIAHMHTSLZBM-LLVKDONJSA-N -1 3 322.365 1.385 20 5 DDBDHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000281295576 216220059 /nfs/dbraw/zinc/22/00/59/216220059.db2.gz YKAXDXWMLMFHAY-CQSZACIVSA-N -1 3 320.305 1.269 20 5 DDBDHM COc1cc(CNc2cccc(CO)n2)c([N+](=O)[O-])cc1[O-] ZINC000351269305 284315041 /nfs/dbraw/zinc/31/50/41/284315041.db2.gz MFCLTYVZVASDGS-UHFFFAOYSA-N -1 3 305.290 1.808 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1F ZINC000339118014 250302265 /nfs/dbraw/zinc/30/22/65/250302265.db2.gz CUOZAHIQRIEGBT-UWVGGRQHSA-N -1 3 318.326 1.772 20 5 DDBDHM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414207153 285151501 /nfs/dbraw/zinc/15/15/01/285151501.db2.gz ZDRJENUDKWTPDC-LBPRGKRZSA-N -1 3 309.322 1.538 20 5 DDBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(C)(C)C(=O)[O-])CC2)n1 ZINC000567984606 304258859 /nfs/dbraw/zinc/25/88/59/304258859.db2.gz UVUGZIYSTDNSAF-UHFFFAOYSA-N -1 3 322.365 1.592 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000120542775 195187959 /nfs/dbraw/zinc/18/79/59/195187959.db2.gz LOLNLZODBUINEE-UWVGGRQHSA-N -1 3 302.352 1.198 20 5 DDBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OC ZINC000289678259 221147696 /nfs/dbraw/zinc/14/76/96/221147696.db2.gz WYROVYNUHQYFRY-VIFPVBQESA-N -1 3 318.351 1.307 20 5 DDBDHM CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048671208 407104401 /nfs/dbraw/zinc/10/44/01/407104401.db2.gz QJRWDLCKTMHZJJ-UHFFFAOYSA-N -1 3 308.743 1.563 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000089166444 407126337 /nfs/dbraw/zinc/12/63/37/407126337.db2.gz VUAYASOECGAWQC-KCJUWKMLSA-N -1 3 318.326 1.173 20 5 DDBDHM CCOc1cc(N(C)C[C@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000129856689 407630150 /nfs/dbraw/zinc/63/01/50/407630150.db2.gz LZFUIEZASUYWNP-VIFPVBQESA-N -1 3 306.326 1.747 20 5 DDBDHM CCOc1cc(N(C)C[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000129856689 407630156 /nfs/dbraw/zinc/63/01/56/407630156.db2.gz LZFUIEZASUYWNP-VIFPVBQESA-N -1 3 306.326 1.747 20 5 DDBDHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228071872 407642189 /nfs/dbraw/zinc/64/21/89/407642189.db2.gz LFWORRKWQRASAS-QMMMGPOBSA-N -1 3 322.770 1.688 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CO ZINC000178915234 407656185 /nfs/dbraw/zinc/65/61/85/407656185.db2.gz OXIBDEKCKLTBFG-WDEREUQCSA-N -1 3 314.363 1.424 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272451959 407929639 /nfs/dbraw/zinc/92/96/39/407929639.db2.gz WKGSCORPBPTSNV-TVQRCGJNSA-N -1 3 305.334 1.513 20 5 DDBDHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000121406973 408203835 /nfs/dbraw/zinc/20/38/35/408203835.db2.gz BALTVUMINAVXSY-APPZFPTMSA-N -1 3 320.754 1.704 20 5 DDBDHM CCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264016335 408345200 /nfs/dbraw/zinc/34/52/00/408345200.db2.gz UVBDOOYSFDXYDB-UHFFFAOYSA-N -1 3 316.335 1.444 20 5 DDBDHM CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000159270866 408398243 /nfs/dbraw/zinc/39/82/43/408398243.db2.gz WXLPOUXBULBKGA-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C ZINC000270618128 408605591 /nfs/dbraw/zinc/60/55/91/408605591.db2.gz JMAZAGRRVANARO-WPRPVWTQSA-N -1 3 316.335 1.059 20 5 DDBDHM COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185216492 408780922 /nfs/dbraw/zinc/78/09/22/408780922.db2.gz KZDOYIMKOBVUCI-LBPRGKRZSA-N -1 3 323.349 1.141 20 5 DDBDHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286902303 409000891 /nfs/dbraw/zinc/00/08/91/409000891.db2.gz CLHJJUTYSXVOLC-DGCLKSJQSA-N -1 3 319.361 1.999 20 5 DDBDHM CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000293928928 409208096 /nfs/dbraw/zinc/20/80/96/409208096.db2.gz BNYIZRCCXBXJCF-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DDBDHM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN(C2CC2)C1 ZINC000295536163 409337044 /nfs/dbraw/zinc/33/70/44/409337044.db2.gz KFWBCAXNJIHIJG-NSHDSACASA-N -1 3 319.361 1.857 20 5 DDBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280697951 409415526 /nfs/dbraw/zinc/41/55/26/409415526.db2.gz AFRHNKSOIQPGKH-JTQLQIEISA-N -1 3 317.349 1.947 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000342543839 409708043 /nfs/dbraw/zinc/70/80/43/409708043.db2.gz FOYJDKORPGHBOV-BQBZGAKWSA-N -1 3 308.381 1.402 20 5 DDBDHM NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc([O-])c(F)c1 ZINC000301338382 410703238 /nfs/dbraw/zinc/70/32/38/410703238.db2.gz DESSNPHQMBBDOE-UHFFFAOYSA-N -1 3 306.253 1.546 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000337812994 411016497 /nfs/dbraw/zinc/01/64/97/411016497.db2.gz OYQXRUZUGMMSBI-NSHDSACASA-N -1 3 324.362 1.467 20 5 DDBDHM CN(C)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000360243178 411109824 /nfs/dbraw/zinc/10/98/24/411109824.db2.gz UOFSRUZCOYSYDM-UHFFFAOYSA-N -1 3 322.346 1.857 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])n[n-]1 ZINC000542784046 416630387 /nfs/dbraw/zinc/63/03/87/416630387.db2.gz BRUCNXVEAAKEFI-UHFFFAOYSA-N -1 3 319.277 1.329 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])[n-]n1 ZINC000542784046 416630391 /nfs/dbraw/zinc/63/03/91/416630391.db2.gz BRUCNXVEAAKEFI-UHFFFAOYSA-N -1 3 319.277 1.329 20 5 DDBDHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000088255259 418492430 /nfs/dbraw/zinc/49/24/30/418492430.db2.gz CLKSAAOMOBFTRT-UHFFFAOYSA-N -1 3 303.303 2.260 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(=O)OC)s2)n1 ZINC000427125839 419600701 /nfs/dbraw/zinc/60/07/01/419600701.db2.gz IBHXCZBYJYTISW-UHFFFAOYSA-N -1 3 324.318 1.912 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)OC)ccn2)n1 ZINC000427858641 419753203 /nfs/dbraw/zinc/75/32/03/419753203.db2.gz UBJLSHKLJAFMGY-UHFFFAOYSA-N -1 3 319.277 1.245 20 5 DDBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nocc2C)cc1OC ZINC000436010990 420300726 /nfs/dbraw/zinc/30/07/26/420300726.db2.gz HWMINMMRDRPABK-UHFFFAOYSA-N -1 3 321.289 2.551 20 5 DDBDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493372110 420831864 /nfs/dbraw/zinc/83/18/64/420831864.db2.gz RZBOTMZSTDSYIH-BPJJOFIESA-N -1 3 312.297 1.812 20 5 DDBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ncccc1[O-] ZINC000487558826 421037672 /nfs/dbraw/zinc/03/76/72/421037672.db2.gz KJVYTMUSFNZJQW-UHFFFAOYSA-N -1 3 323.255 1.833 20 5 DDBDHM O=[N+]([O-])c1cnc2ccccc2c1Sc1n[n-]c(CO)n1 ZINC000562329598 421352508 /nfs/dbraw/zinc/35/25/08/421352508.db2.gz PSPJWQQTOTYWCC-UHFFFAOYSA-N -1 3 303.303 1.905 20 5 DDBDHM O=C(NCc1ncccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000527190370 421363207 /nfs/dbraw/zinc/36/32/07/421363207.db2.gz LTEFITFOSNAROF-UHFFFAOYSA-N -1 3 317.257 1.354 20 5 DDBDHM CC(C)Oc1nc([N-]c2ccn(CCO)n2)ccc1[N+](=O)[O-] ZINC000565220851 421597402 /nfs/dbraw/zinc/59/74/02/421597402.db2.gz HKUAYDLVUGUTML-UHFFFAOYSA-N -1 3 307.310 1.709 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)n1 ZINC000565038585 421595549 /nfs/dbraw/zinc/59/55/49/421595549.db2.gz HVFQSMSASQLKIS-JTQLQIEISA-N -1 3 308.338 1.750 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000517736459 421626197 /nfs/dbraw/zinc/62/61/97/421626197.db2.gz RYNYIGZPLRNBLL-GHMZBOCLSA-N -1 3 314.363 1.667 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])n[n-]1 ZINC000577908559 422454537 /nfs/dbraw/zinc/45/45/37/422454537.db2.gz RVAKNIMMHLSWQZ-UHFFFAOYSA-N -1 3 322.281 1.032 20 5 DDBDHM CCOC(=O)c1cc(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])[n-]n1 ZINC000577908559 422454543 /nfs/dbraw/zinc/45/45/43/422454543.db2.gz RVAKNIMMHLSWQZ-UHFFFAOYSA-N -1 3 322.281 1.032 20 5 DDBDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000342127714 271307625 /nfs/dbraw/zinc/30/76/25/271307625.db2.gz KBPPZFKZFMEDTK-UWVGGRQHSA-N -1 3 302.352 1.605 20 5 DDBDHM O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000120309117 281116193 /nfs/dbraw/zinc/11/61/93/281116193.db2.gz DHSLVAYSMDKAJZ-UHFFFAOYSA-N -1 3 301.184 1.984 20 5 DDBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000156272373 281358867 /nfs/dbraw/zinc/35/88/67/281358867.db2.gz HAYGTMPVQDUQHK-SNVBAGLBSA-N -1 3 314.363 1.831 20 5 DDBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189892162 292757449 /nfs/dbraw/zinc/75/74/49/292757449.db2.gz OPFJYADEGWTSLP-VIFPVBQESA-N -1 3 316.379 1.772 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000362974402 300192120 /nfs/dbraw/zinc/19/21/20/300192120.db2.gz AHNWLIUNSRHTDL-IWIIMEHWSA-N -1 3 312.347 1.680 20 5 DDBDHM COc1ccc([N+](=O)[O-])c(N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000517239626 302810112 /nfs/dbraw/zinc/81/01/12/302810112.db2.gz SMEKPPBOLFUSLM-UHFFFAOYSA-N -1 3 323.349 1.589 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000524409617 302904717 /nfs/dbraw/zinc/90/47/17/302904717.db2.gz DCXDKKXIHDHQCT-MRVPVSSYSA-N -1 3 310.335 1.207 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000738371678 598978154 /nfs/dbraw/zinc/97/81/54/598978154.db2.gz WJIRXCWHSYWVAF-ZANVPECISA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2O)c(-c2nn[n-]n2)c1 ZINC000738371678 598978156 /nfs/dbraw/zinc/97/81/56/598978156.db2.gz WJIRXCWHSYWVAF-ZANVPECISA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CCO)C1CC1 ZINC000738359567 599045188 /nfs/dbraw/zinc/04/51/88/599045188.db2.gz SWOBZMJNUAWRJS-JTQLQIEISA-N -1 3 304.310 1.348 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CCO)C1CC1 ZINC000738359567 599045191 /nfs/dbraw/zinc/04/51/91/599045191.db2.gz SWOBZMJNUAWRJS-JTQLQIEISA-N -1 3 304.310 1.348 20 5 DDBDHM CC(C)C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735772439 598502011 /nfs/dbraw/zinc/50/20/11/598502011.db2.gz SYMAEPHHZLOAQH-JTQLQIEISA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735772439 598502012 /nfs/dbraw/zinc/50/20/12/598502012.db2.gz SYMAEPHHZLOAQH-JTQLQIEISA-N -1 3 306.326 1.594 20 5 DDBDHM O=[N+]([O-])c1ncccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738373362 598644054 /nfs/dbraw/zinc/64/40/54/598644054.db2.gz BAZSQHUVWXYQMS-UHFFFAOYSA-N -1 3 316.252 1.888 20 5 DDBDHM O=[N+]([O-])c1ncccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738373362 598644056 /nfs/dbraw/zinc/64/40/56/598644056.db2.gz BAZSQHUVWXYQMS-UHFFFAOYSA-N -1 3 316.252 1.888 20 5 DDBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736406840 598677584 /nfs/dbraw/zinc/67/75/84/598677584.db2.gz LRQUJMZLTLNRBB-GXSJLCMTSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736406840 598677586 /nfs/dbraw/zinc/67/75/86/598677586.db2.gz LRQUJMZLTLNRBB-GXSJLCMTSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000736406842 598677655 /nfs/dbraw/zinc/67/76/55/598677655.db2.gz LRQUJMZLTLNRBB-MWLCHTKSSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000736406842 598677657 /nfs/dbraw/zinc/67/76/57/598677657.db2.gz LRQUJMZLTLNRBB-MWLCHTKSSA-N -1 3 318.337 1.779 20 5 DDBDHM CC(C)(CO)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819984238 599572718 /nfs/dbraw/zinc/57/27/18/599572718.db2.gz SBMMGHXMLLLXLF-UHFFFAOYSA-N -1 3 320.353 1.986 20 5 DDBDHM CC(C)(CO)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819984238 599572719 /nfs/dbraw/zinc/57/27/19/599572719.db2.gz SBMMGHXMLLLXLF-UHFFFAOYSA-N -1 3 320.353 1.986 20 5 DDBDHM C[C@H](O)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820473804 599583972 /nfs/dbraw/zinc/58/39/72/599583972.db2.gz MHQRJLOFYGWLGC-VIFPVBQESA-N -1 3 320.353 1.984 20 5 DDBDHM C[C@H](O)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820473804 599583974 /nfs/dbraw/zinc/58/39/74/599583974.db2.gz MHQRJLOFYGWLGC-VIFPVBQESA-N -1 3 320.353 1.984 20 5 DDBDHM Cc1nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016958 601813482 /nfs/dbraw/zinc/81/34/82/601813482.db2.gz OZZXIMKVNLJLRP-QPUJVOFHSA-N -1 3 319.321 1.258 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCc3ncccc3C2)c(-c2nnn[n-]2)c1 ZINC000826498783 607564900 /nfs/dbraw/zinc/56/49/00/607564900.db2.gz JKRRKGKRBBUOAJ-UHFFFAOYSA-N -1 3 323.316 1.733 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCc3ncccc3C2)c(-c2nn[n-]n2)c1 ZINC000826498783 607564902 /nfs/dbraw/zinc/56/49/02/607564902.db2.gz JKRRKGKRBBUOAJ-UHFFFAOYSA-N -1 3 323.316 1.733 20 5 DDBDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000825264989 604215353 /nfs/dbraw/zinc/21/53/53/604215353.db2.gz PJVBTZVWGYGNNZ-GHMZBOCLSA-N -1 3 311.342 1.159 20 5 DDBDHM O=C([O-])[C@H]1CC12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000833771883 605005391 /nfs/dbraw/zinc/00/53/91/605005391.db2.gz SWBJWXAHHOFMQU-KGLIPLIRSA-N -1 3 320.345 1.815 20 5 DDBDHM C[C@H](O)C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824699284 607738198 /nfs/dbraw/zinc/73/81/98/607738198.db2.gz RAICGHUSZAICRV-ONGXEEELSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@H](O)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824699284 607738199 /nfs/dbraw/zinc/73/81/99/607738199.db2.gz RAICGHUSZAICRV-ONGXEEELSA-N -1 3 318.337 1.515 20 5 DDBDHM C[C@H](C[C@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235354 607114120 /nfs/dbraw/zinc/11/41/20/607114120.db2.gz RXCHUORATUVQQX-RKDXNWHRSA-N -1 3 319.325 1.397 20 5 DDBDHM C[C@H](C[C@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235354 607114121 /nfs/dbraw/zinc/11/41/21/607114121.db2.gz RXCHUORATUVQQX-RKDXNWHRSA-N -1 3 319.325 1.397 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)c(-c2nnn[n-]2)c1 ZINC000826499186 607810447 /nfs/dbraw/zinc/81/04/47/607810447.db2.gz YZTPOSIAFLKPRQ-CZMCAQCFSA-N -1 3 304.310 1.490 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)c(-c2nn[n-]n2)c1 ZINC000826499186 607810448 /nfs/dbraw/zinc/81/04/48/607810448.db2.gz YZTPOSIAFLKPRQ-CZMCAQCFSA-N -1 3 304.310 1.490 20 5 DDBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824891914 608800157 /nfs/dbraw/zinc/80/01/57/608800157.db2.gz CEHJOYBAYNKCLE-DTWKUNHWSA-N -1 3 304.310 1.754 20 5 DDBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824891914 608800159 /nfs/dbraw/zinc/80/01/59/608800159.db2.gz CEHJOYBAYNKCLE-DTWKUNHWSA-N -1 3 304.310 1.754 20 5 DDBDHM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nn1C ZINC000776303496 698094008 /nfs/dbraw/zinc/09/40/08/698094008.db2.gz JMVRFKYGXHCYFL-UHFFFAOYSA-N -1 3 312.232 1.867 20 5 DDBDHM O=C(COC(=O)c1cncc([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000732391421 699558606 /nfs/dbraw/zinc/55/86/06/699558606.db2.gz HMFTYGOPNCWJPF-UHFFFAOYSA-N -1 3 302.242 1.735 20 5 DDBDHM CCn1ncc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000815655329 701907731 /nfs/dbraw/zinc/90/77/31/701907731.db2.gz OVKIWHKHMXLDGJ-UHFFFAOYSA-N -1 3 319.277 1.245 20 5 DDBDHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845883433 703212368 /nfs/dbraw/zinc/21/23/68/703212368.db2.gz PURDPJDAZPOXSV-WCBMZHEXSA-N -1 3 317.392 1.552 20 5 DDBDHM CN(C[C@@]1(O)CCc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853708290 704302900 /nfs/dbraw/zinc/30/29/00/704302900.db2.gz LEKNXZATWRCOSO-INIZCTEOSA-N -1 3 315.329 1.966 20 5 DDBDHM Cc1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC000826325624 705790548 /nfs/dbraw/zinc/79/05/48/705790548.db2.gz FRVOQICHMBJYCU-UHFFFAOYSA-N -1 3 316.281 1.103 20 5 DDBDHM Cc1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC000826325624 705790552 /nfs/dbraw/zinc/79/05/52/705790552.db2.gz FRVOQICHMBJYCU-UHFFFAOYSA-N -1 3 316.281 1.103 20 5 DDBDHM CC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059218554 740406948 /nfs/dbraw/zinc/40/69/48/740406948.db2.gz QUEOARTVHOVLJM-KYZUINATSA-N -1 3 308.338 1.801 20 5 DDBDHM CC(C)(F)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059552474 741275931 /nfs/dbraw/zinc/27/59/31/741275931.db2.gz NQEHHISBBFVTFK-OCAPTIKFSA-N -1 3 312.301 1.503 20 5 DDBDHM O=C(CC1CC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107006852 748643182 /nfs/dbraw/zinc/64/31/82/748643182.db2.gz VDYBTHDRTYPIOO-OWOJBTEDSA-N -1 3 306.322 1.580 20 5 DDBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccoc1 ZINC001107029962 748715112 /nfs/dbraw/zinc/71/51/12/748715112.db2.gz GWTXLCIAOSTCSC-OWOJBTEDSA-N -1 3 318.289 1.687 20 5 DDBDHM Cc1ccc2c(ccnc2-n2[n-]c(=O)nc2CN)c1[N+](=O)[O-] ZINC001168756896 750749170 /nfs/dbraw/zinc/74/91/70/750749170.db2.gz XXNPGEGNPGCENZ-UHFFFAOYSA-N -1 3 300.278 1.196 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156278811 762330664 /nfs/dbraw/zinc/33/06/64/762330664.db2.gz LKIKNBFOFXBNNW-VIFPVBQESA-N -1 3 314.305 1.462 20 5 DDBDHM O=C(C1CCC1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057266365 763167023 /nfs/dbraw/zinc/16/70/23/763167023.db2.gz JAVVVUCGGPLYKH-UHFFFAOYSA-N -1 3 320.349 1.898 20 5 DDBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001110100906 766678447 /nfs/dbraw/zinc/67/84/47/766678447.db2.gz NUUBTLSRNKUQBT-UHFFFAOYSA-N -1 3 318.333 1.866 20 5 DDBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC001135569741 771583217 /nfs/dbraw/zinc/58/32/17/771583217.db2.gz JDABXZZUQSZKEI-UHFFFAOYSA-N -1 3 308.225 1.496 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)nc1 ZINC001093528261 774779027 /nfs/dbraw/zinc/77/90/27/774779027.db2.gz AAIIDEPZNFSPJF-UHFFFAOYSA-N -1 3 321.268 1.071 20 5 DDBDHM O=C(NCc1ccc([O-])c(F)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001150369840 862200719 /nfs/dbraw/zinc/20/07/19/862200719.db2.gz YWMBVRDDXYYUCQ-CQSZACIVSA-N -1 3 320.276 1.789 20 5 DDBDHM Cc1nc(Cl)c([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156279180 862898321 /nfs/dbraw/zinc/89/83/21/862898321.db2.gz SYOFKZQAKWXETB-ZETCQYMHSA-N -1 3 312.717 1.271 20 5 DDBDHM Cc1cnn(C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001320733999 866989696 /nfs/dbraw/zinc/98/96/96/866989696.db2.gz XUHXTKJXOKUOLH-CYBMUJFWSA-N -1 3 318.333 1.651 20 5 DDBDHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC001164347980 869142948 /nfs/dbraw/zinc/14/29/48/869142948.db2.gz CWHIXPSORGORPS-UHFFFAOYSA-N -1 3 324.293 1.448 20 5 DDBDHM Cc1cc(=O)[n-]c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001336983294 869243823 /nfs/dbraw/zinc/24/38/23/869243823.db2.gz JMIBLKDSDIJPLR-UHFFFAOYSA-N -1 3 315.333 1.725 20 5 DDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001339246552 870419047 /nfs/dbraw/zinc/41/90/47/870419047.db2.gz CPWNMQNUQRZHSR-UHFFFAOYSA-N -1 3 304.188 1.323 20 5 DDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001339246552 870419050 /nfs/dbraw/zinc/41/90/50/870419050.db2.gz CPWNMQNUQRZHSR-UHFFFAOYSA-N -1 3 304.188 1.323 20 5 DDBDHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226460908 882442410 /nfs/dbraw/zinc/44/24/10/882442410.db2.gz HJLMLCQVUYMTIJ-ZETCQYMHSA-N -1 3 320.261 1.663 20 5 DDBDHM CN(C)c1nccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001354361687 877919410 /nfs/dbraw/zinc/91/94/10/877919410.db2.gz GIRTWHXWNQVXDF-UHFFFAOYSA-N -1 3 315.333 1.719 20 5 DDBDHM Cc1cc2[n-]c(O[C@H]3CCS(=O)(=O)C3)nc2cc1[N+](=O)[O-] ZINC001228675090 883611472 /nfs/dbraw/zinc/61/14/72/883611472.db2.gz OAPLNFLZABSSCV-QMMMGPOBSA-N -1 3 311.319 1.345 20 5 DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000160331185 290770472 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)CO)c1C ZINC000128293340 354073407 /nfs/dbraw/zinc/07/34/07/354073407.db2.gz FVKLXGGBNXSIOZ-UHFFFAOYSA-N -1 3 316.379 1.508 20 5 DDBDHM C[C@@H](O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000595361726 356465288 /nfs/dbraw/zinc/46/52/88/356465288.db2.gz POLZQWWSFASVIP-SSDOTTSWSA-N -1 3 320.754 1.440 20 5 DDBDHM CCN(CC)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078948 356765046 /nfs/dbraw/zinc/76/50/46/356765046.db2.gz FZBFZDBNOPWFDM-UHFFFAOYSA-N -1 3 323.353 1.279 20 5 DDBDHM O=c1[n-]cnc2c1CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596172756 356801725 /nfs/dbraw/zinc/80/17/25/356801725.db2.gz YLIJNMPYKSXBLR-UHFFFAOYSA-N -1 3 307.697 1.702 20 5 DDBDHM CN(Cc1ncnn1CC(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596215749 356817672 /nfs/dbraw/zinc/81/76/72/356817672.db2.gz UFLWKNKBAFCLKB-UHFFFAOYSA-N -1 3 314.252 1.188 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000276906460 213167847 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/nfs/dbraw/zinc/98/73/23/522987323.db2.gz XJJQLFWWNAEGEA-SECBINFHSA-N -1 3 322.770 1.688 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])[C@H](C)O ZINC000451884038 529195923 /nfs/dbraw/zinc/19/59/23/529195923.db2.gz CFUGROAJNNVZNZ-VHSXEESVSA-N -1 3 302.352 1.341 20 5 DDBDHM COC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736970734 598855507 /nfs/dbraw/zinc/85/55/07/598855507.db2.gz DZSKINXCDIIXGA-VIFPVBQESA-N -1 3 304.310 1.248 20 5 DDBDHM COC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736970734 598855508 /nfs/dbraw/zinc/85/55/08/598855508.db2.gz DZSKINXCDIIXGA-VIFPVBQESA-N -1 3 304.310 1.248 20 5 DDBDHM CC(C)[C@H](CCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820021481 607347520 /nfs/dbraw/zinc/34/75/20/607347520.db2.gz UZMOSRSRLHWMLF-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCc3cncnc3C2)c(-c2nnn[n-]2)c1 ZINC000738371994 598333507 /nfs/dbraw/zinc/33/35/07/598333507.db2.gz ZVKDCYGQMHFKAU-UHFFFAOYSA-N -1 3 324.304 1.128 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCc3cncnc3C2)c(-c2nn[n-]n2)c1 ZINC000738371994 598333509 /nfs/dbraw/zinc/33/35/09/598333509.db2.gz ZVKDCYGQMHFKAU-UHFFFAOYSA-N -1 3 324.304 1.128 20 5 DDBDHM O=[N+]([O-])c1cnc(NCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000738374296 598500236 /nfs/dbraw/zinc/50/02/36/598500236.db2.gz MTZQVFWTWHYCTQ-UHFFFAOYSA-N -1 3 304.295 1.239 20 5 DDBDHM O=[N+]([O-])c1cnc(NCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000738374296 598500237 /nfs/dbraw/zinc/50/02/37/598500237.db2.gz MTZQVFWTWHYCTQ-UHFFFAOYSA-N -1 3 304.295 1.239 20 5 DDBDHM CC(C)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735696372 598680870 /nfs/dbraw/zinc/68/08/70/598680870.db2.gz YQYFCZFLSPDKBG-CYBMUJFWSA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735696372 598680872 /nfs/dbraw/zinc/68/08/72/598680872.db2.gz YQYFCZFLSPDKBG-CYBMUJFWSA-N -1 3 306.326 1.594 20 5 DDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC000736295740 598757521 /nfs/dbraw/zinc/75/75/21/598757521.db2.gz 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ZINC000822472069 607039945 /nfs/dbraw/zinc/03/99/45/607039945.db2.gz NYPPWDWKFTWIGC-UHFFFAOYSA-N -1 3 303.257 1.467 20 5 DDBDHM O=[N+]([O-])c1cnn(CCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000823651499 607175998 /nfs/dbraw/zinc/17/59/98/607175998.db2.gz MIPUZSJJCZNYMG-UHFFFAOYSA-N -1 3 318.272 1.223 20 5 DDBDHM O=[N+]([O-])c1cnn(CCNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000823651499 607175999 /nfs/dbraw/zinc/17/59/99/607175999.db2.gz MIPUZSJJCZNYMG-UHFFFAOYSA-N -1 3 318.272 1.223 20 5 DDBDHM O=[N+]([O-])c1cnc(SC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000826501024 607905529 /nfs/dbraw/zinc/90/55/29/607905529.db2.gz WDFKKGAXKTVHTJ-UHFFFAOYSA-N -1 3 308.323 1.441 20 5 DDBDHM O=[N+]([O-])c1cccc(CCNc2ncccc2-c2nnn[n-]2)c1 ZINC000826499438 607968418 /nfs/dbraw/zinc/96/84/18/607968418.db2.gz IVZQDLLWEUPSSX-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1cccc(CCNc2ncccc2-c2nn[n-]n2)c1 ZINC000826499438 607968419 /nfs/dbraw/zinc/96/84/19/607968419.db2.gz IVZQDLLWEUPSSX-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824898365 608444835 /nfs/dbraw/zinc/44/48/35/608444835.db2.gz FGCVIMIRYSOLJV-AYMMMOKOSA-N -1 3 319.325 1.538 20 5 DDBDHM C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824898365 608444837 /nfs/dbraw/zinc/44/48/37/608444837.db2.gz FGCVIMIRYSOLJV-AYMMMOKOSA-N -1 3 319.325 1.538 20 5 DDBDHM O=C([N-]OCC(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000760148146 700793715 /nfs/dbraw/zinc/79/37/15/700793715.db2.gz PEJSPMXNHAUBJO-UHFFFAOYSA-N -1 3 313.216 1.775 20 5 DDBDHM O=C([O-])C[C@@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000833211156 707002019 /nfs/dbraw/zinc/00/20/19/707002019.db2.gz DUHKKWCPOJJCOS-NSHDSACASA-N -1 3 304.306 1.841 20 5 DDBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000837579271 707687008 /nfs/dbraw/zinc/68/70/08/707687008.db2.gz ZYZITGYSNNQAFY-UHFFFAOYSA-N -1 3 316.273 1.720 20 5 DDBDHM Cc1ccc(CC(=O)[N-]OCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000882964038 707875725 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DDBDHM CCOc1cc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001164394948 869174406 /nfs/dbraw/zinc/17/44/06/869174406.db2.gz IGIRIWSTPWGNCA-JTQLQIEISA-N -1 3 306.322 1.917 20 5 DDBDHM COCCN(CCC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001337783323 869627926 /nfs/dbraw/zinc/62/79/26/869627926.db2.gz YULLMRGTVYHRPE-CYBMUJFWSA-N -1 3 312.322 1.051 20 5 DDBDHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC001216793376 877056667 /nfs/dbraw/zinc/05/66/67/877056667.db2.gz UGIMWWYDIYASKA-UHFFFAOYSA-N -1 3 321.318 1.701 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCN(C(C)C)C2)cc1[O-] ZINC001228814219 883685292 /nfs/dbraw/zinc/68/52/92/883685292.db2.gz KOGYCMLJDQMTNY-SNVBAGLBSA-N -1 3 324.333 1.949 20 5 DDBDHM CC(C)c1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000358476201 299166131 /nfs/dbraw/zinc/16/61/31/299166131.db2.gz OXYNDSRHQGCIPA-UHFFFAOYSA-N -1 3 303.278 1.861 20 5 DDBDHM CS(=O)(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000025849427 352202465 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1 ZINC000314019995 354483487 /nfs/dbraw/zinc/48/34/87/354483487.db2.gz IQBPWBFJHJBIKM-VIFPVBQESA-N -1 3 317.342 1.154 20 5 DDBDHM O=C([N-]c1n[nH]c2[nH]c(=O)ccc12)c1ccc([N+](=O)[O-])s1 ZINC000590390013 355083490 /nfs/dbraw/zinc/08/34/90/355083490.db2.gz MBKLBBYWUKYXFF-UHFFFAOYSA-N -1 3 305.275 1.886 20 5 DDBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590590912 355122407 /nfs/dbraw/zinc/12/24/07/355122407.db2.gz LXCGRXQLOBRUOR-VIFPVBQESA-N -1 3 320.342 1.482 20 5 DDBDHM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592828096 355704833 /nfs/dbraw/zinc/70/48/33/355704833.db2.gz BNJAXCRZURDKHR-LLVKDONJSA-N -1 3 308.338 1.252 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000594799397 356321229 /nfs/dbraw/zinc/32/12/29/356321229.db2.gz WNWBCWCUGGHGFY-KCJUWKMLSA-N -1 3 323.334 1.171 20 5 DDBDHM COCCC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596166867 356799819 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DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)CCOC1 ZINC000354515846 298458281 /nfs/dbraw/zinc/45/82/81/298458281.db2.gz VBPJRLILEAPODD-CYBMUJFWSA-N -1 3 314.363 1.608 20 5 DDBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cn([C@H]2CCOC2)nn1 ZINC000362477401 300073700 /nfs/dbraw/zinc/07/37/00/300073700.db2.gz UDRYLTZVYNRKFC-VIFPVBQESA-N -1 3 321.268 1.539 20 5 DDBDHM CNC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000362604591 300105142 /nfs/dbraw/zinc/10/51/42/300105142.db2.gz VIADEFMLGADJSX-UHFFFAOYSA-N -1 3 306.303 1.663 20 5 DDBDHM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN(C2CC2)C1 ZINC000295248809 300194872 /nfs/dbraw/zinc/19/48/72/300194872.db2.gz DTYUHPXYGXDLBK-LLVKDONJSA-N -1 3 319.361 1.857 20 5 DDBDHM C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153907263 300217073 /nfs/dbraw/zinc/21/70/73/300217073.db2.gz DHIYFRYRWXJRJG-JQWIXIFHSA-N -1 3 307.350 1.713 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000288498831 300421303 /nfs/dbraw/zinc/42/13/03/300421303.db2.gz SAMWKPRHTJWXOI-NWDGAFQWSA-N -1 3 319.361 1.999 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000370170483 301288670 /nfs/dbraw/zinc/28/86/70/301288670.db2.gz CIZGZWOSZSZJMU-JQWIXIFHSA-N -1 3 305.334 1.467 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000370170482 301288695 /nfs/dbraw/zinc/28/86/95/301288695.db2.gz CIZGZWOSZSZJMU-CMPLNLGQSA-N -1 3 305.334 1.467 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCOCC2)c1[N+](=O)[O-] ZINC000189869147 301555239 /nfs/dbraw/zinc/55/52/39/301555239.db2.gz YLGWVNJMDRUWRB-UHFFFAOYSA-N -1 3 314.363 1.669 20 5 DDBDHM Cc1ccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)cc1[N+](=O)[O-] ZINC000355980461 306824174 /nfs/dbraw/zinc/82/41/74/306824174.db2.gz FUODFFFFVYYNRD-UHFFFAOYSA-N -1 3 317.261 1.005 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000491846175 528151989 /nfs/dbraw/zinc/15/19/89/528151989.db2.gz MJVJFOMGYRYHNT-SYTKJHMZSA-N -1 3 316.317 1.236 20 5 DDBDHM CC(=O)NCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000819780560 597705712 /nfs/dbraw/zinc/70/57/12/597705712.db2.gz JYVGPCRUUMCDBS-LLVKDONJSA-N -1 3 323.349 1.314 20 5 DDBDHM C[C@H](Nc1ccncc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736137056 598455898 /nfs/dbraw/zinc/45/58/98/598455898.db2.gz KBOYJZHGGGJQPG-VIFPVBQESA-N -1 3 311.305 1.765 20 5 DDBDHM C[C@H](Nc1ccncc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736137056 598455900 /nfs/dbraw/zinc/45/59/00/598455900.db2.gz KBOYJZHGGGJQPG-VIFPVBQESA-N -1 3 311.305 1.765 20 5 DDBDHM C[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736142088 598679440 /nfs/dbraw/zinc/67/94/40/598679440.db2.gz CPZBDBBREODNHO-SECBINFHSA-N -1 3 318.337 1.372 20 5 DDBDHM C[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736142088 598679441 /nfs/dbraw/zinc/67/94/41/598679441.db2.gz CPZBDBBREODNHO-SECBINFHSA-N -1 3 318.337 1.372 20 5 DDBDHM CCC(CC)[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736337949 598679811 /nfs/dbraw/zinc/67/98/11/598679811.db2.gz NBRYNQRDCPHMMG-LLVKDONJSA-N -1 3 321.341 1.379 20 5 DDBDHM CCC(CC)[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736337949 598679814 /nfs/dbraw/zinc/67/98/14/598679814.db2.gz NBRYNQRDCPHMMG-LLVKDONJSA-N -1 3 321.341 1.379 20 5 DDBDHM C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000828473481 601817805 /nfs/dbraw/zinc/81/78/05/601817805.db2.gz WTFCLYSUCPXFAA-CABZTGNLSA-N -1 3 304.306 1.555 20 5 DDBDHM CN(C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739663179 602543692 /nfs/dbraw/zinc/54/36/92/602543692.db2.gz BPBCSFKDUADXBD-GFCCVEGCSA-N -1 3 323.349 1.905 20 5 DDBDHM NC(=O)c1ccc(CNC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000833762763 605496887 /nfs/dbraw/zinc/49/68/87/605496887.db2.gz VQGCFIZZXJQPCT-UHFFFAOYSA-N -1 3 307.306 1.181 20 5 DDBDHM CC(C)(C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000819906016 606645630 /nfs/dbraw/zinc/64/56/30/606645630.db2.gz AFOIJGORFIJEKE-NSHDSACASA-N -1 3 306.326 1.594 20 5 DDBDHM CC(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820044562 606725870 /nfs/dbraw/zinc/72/58/70/606725870.db2.gz HELIUHSQHJIDPO-SECBINFHSA-N -1 3 303.326 1.652 20 5 DDBDHM CC(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820044562 606725872 /nfs/dbraw/zinc/72/58/72/606725872.db2.gz HELIUHSQHJIDPO-SECBINFHSA-N -1 3 303.326 1.652 20 5 DDBDHM C[C@@H]1N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1(C)C ZINC000820822323 606876792 /nfs/dbraw/zinc/87/67/92/606876792.db2.gz YPEMIKPPTQEZAF-VIFPVBQESA-N -1 3 318.337 1.779 20 5 DDBDHM C[C@@H]1N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1(C)C ZINC000820822323 606876794 /nfs/dbraw/zinc/87/67/94/606876794.db2.gz YPEMIKPPTQEZAF-VIFPVBQESA-N -1 3 318.337 1.779 20 5 DDBDHM O=[N+]([O-])c1cnn(CCSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823651130 607012983 /nfs/dbraw/zinc/01/29/83/607012983.db2.gz GQVPZGKUMGJIIN-UHFFFAOYSA-N -1 3 317.334 1.764 20 5 DDBDHM O=[N+]([O-])c1cnn(CCSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823651130 607012985 /nfs/dbraw/zinc/01/29/85/607012985.db2.gz GQVPZGKUMGJIIN-UHFFFAOYSA-N -1 3 317.334 1.764 20 5 DDBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826499588 607968386 /nfs/dbraw/zinc/96/83/86/607968386.db2.gz OMYCNDLKQWHYCX-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826499588 607968387 /nfs/dbraw/zinc/96/83/87/607968387.db2.gz OMYCNDLKQWHYCX-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CC[C@H](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500642 608151990 /nfs/dbraw/zinc/15/19/90/608151990.db2.gz GHTYDMIXXRTERQ-VIFPVBQESA-N -1 3 301.310 1.406 20 5 DDBDHM O=[N+]([O-])c1cnc(N2CC[C@H](C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500642 608151991 /nfs/dbraw/zinc/15/19/91/608151991.db2.gz GHTYDMIXXRTERQ-VIFPVBQESA-N -1 3 301.310 1.406 20 5 DDBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758115209 700684171 /nfs/dbraw/zinc/68/41/71/700684171.db2.gz KLBJEQBOMBZFOK-UHFFFAOYSA-N -1 3 309.205 1.750 20 5 DDBDHM Cc1nc(C)c(Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)c(=O)[n-]1 ZINC000812815655 702247076 /nfs/dbraw/zinc/24/70/76/702247076.db2.gz UNEBNBCEUUZGTA-UHFFFAOYSA-N -1 3 321.337 1.761 20 5 DDBDHM C[C@@H](CC[S@@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248535 704245835 /nfs/dbraw/zinc/24/58/35/704245835.db2.gz JLONBCQXNQKPCC-QSIZCVBASA-N -1 3 324.366 1.344 20 5 DDBDHM C[C@@H](CC[S@@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820248535 704245839 /nfs/dbraw/zinc/24/58/39/704245839.db2.gz JLONBCQXNQKPCC-QSIZCVBASA-N -1 3 324.366 1.344 20 5 DDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-]C(CF)CF)cc1 ZINC000885416309 708539776 /nfs/dbraw/zinc/53/97/76/708539776.db2.gz DGILZFOIYNEBTN-UHFFFAOYSA-N -1 3 308.306 1.364 20 5 DDBDHM COCCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906909868 712436238 /nfs/dbraw/zinc/43/62/38/712436238.db2.gz RKUNVJCKWFNDNR-UHFFFAOYSA-N -1 3 302.714 1.875 20 5 DDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(CCCCCO)CC1 ZINC000931494060 714111647 /nfs/dbraw/zinc/11/16/47/714111647.db2.gz DEXLUPSSWUYGHJ-UHFFFAOYSA-N -1 3 323.393 1.581 20 5 DDBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCC1 ZINC001107122698 749159327 /nfs/dbraw/zinc/15/93/27/749159327.db2.gz WQKKZXLUUPQLEF-ONEGZZNKSA-N -1 3 318.333 1.890 20 5 DDBDHM CCN(CCCNC(=O)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095820733 750479016 /nfs/dbraw/zinc/47/90/16/750479016.db2.gz DGWPCUPZTRUNSF-UHFFFAOYSA-N -1 3 308.338 1.438 20 5 DDBDHM COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1[n-]c(=O)nc1CN ZINC001168760867 752539374 /nfs/dbraw/zinc/53/93/74/752539374.db2.gz HOTLEISOBPIYFW-UHFFFAOYSA-N -1 3 313.701 1.310 20 5 DDBDHM Cc1coc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001100274780 757495852 /nfs/dbraw/zinc/49/58/52/757495852.db2.gz XIUCFGNFXOAFBV-UHFFFAOYSA-N -1 3 320.305 1.463 20 5 DDBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001109647118 763907230 /nfs/dbraw/zinc/90/72/30/763907230.db2.gz MSFDDFPCNMXGBI-UHFFFAOYSA-N -1 3 319.321 1.598 20 5 DDBDHM COc1ccc(C[C@H](C)Nc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001170326372 766253067 /nfs/dbraw/zinc/25/30/67/766253067.db2.gz IDJDGOOJNUMQSF-ZANVPECISA-N -1 3 318.333 1.522 20 5 DDBDHM O=C(CCCF)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097092978 771620467 /nfs/dbraw/zinc/62/04/67/771620467.db2.gz XOTIGWJCBXKOQM-KYZUINATSA-N -1 3 312.301 1.504 20 5 DDBDHM O=C(CCC(F)F)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093996223 775311927 /nfs/dbraw/zinc/31/19/27/775311927.db2.gz NGDKWJIWRGHJPJ-UHFFFAOYSA-N -1 3 304.253 1.269 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(F)CCCC1 ZINC001093980166 775339229 /nfs/dbraw/zinc/33/92/29/775339229.db2.gz RXJBQHPGPQDBAD-UHFFFAOYSA-N -1 3 312.301 1.506 20 5 DDBDHM Cc1ncoc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094358885 775776204 /nfs/dbraw/zinc/77/62/04/775776204.db2.gz LUPOMCBRYMXKLH-UHFFFAOYSA-N -1 3 321.293 1.224 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001149671434 861792825 /nfs/dbraw/zinc/79/28/25/861792825.db2.gz KVKKXCRNNJZKPH-UHFFFAOYSA-N -1 3 314.301 1.863 20 5 DDBDHM COc1cc(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])cc1[O-] ZINC001327603202 862309418 /nfs/dbraw/zinc/30/94/18/862309418.db2.gz HMLNJFAIZLZBCN-JTQLQIEISA-N -1 3 308.290 1.572 20 5 DDBDHM O=C(C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC001333671238 866923501 /nfs/dbraw/zinc/92/35/01/866923501.db2.gz DRQDAMXBQVTHDY-UHFFFAOYSA-N -1 3 320.349 1.534 20 5 DDBDHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cccc([N+](=O)[O-])c1 ZINC001321112466 867326136 /nfs/dbraw/zinc/32/61/36/867326136.db2.gz GQJVOCDKLGLVSI-LBPRGKRZSA-N -1 3 324.724 1.688 20 5 DDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298306875 870457105 /nfs/dbraw/zinc/45/71/05/870457105.db2.gz RWCVPXBGOJESDD-UHFFFAOYSA-N -1 3 302.250 1.163 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(C)nc(=S)[n-]1 ZINC001226797877 882658874 /nfs/dbraw/zinc/65/88/74/882658874.db2.gz DWQLXYFWKKZZTC-QMMMGPOBSA-N -1 3 309.351 1.954 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/C2CC2)c(F)c1 ZINC001347642235 874225146 /nfs/dbraw/zinc/22/51/46/874225146.db2.gz LINLHYAKPXUYSE-OWOJBTEDSA-N -1 3 300.311 1.978 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(CN(C)C)on1 ZINC001350444348 875694239 /nfs/dbraw/zinc/69/42/39/875694239.db2.gz LLIQZVDFEWFMDT-UHFFFAOYSA-N -1 3 320.305 1.905 20 5 DDBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=O)OC(C)(C)C ZINC001227692496 883135368 /nfs/dbraw/zinc/13/53/68/883135368.db2.gz ZABWQWIAQXVMAW-SSDOTTSWSA-N -1 3 308.294 1.975 20 5 DDBDHM COC[C@@H](C)OC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689947 883620511 /nfs/dbraw/zinc/62/05/11/883620511.db2.gz XRUGASNEVXETAI-BDAKNGLRSA-N -1 3 300.311 1.823 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ncccc1F ZINC000156731525 290717547 /nfs/dbraw/zinc/71/75/47/290717547.db2.gz XOKOOTHMFMPPKN-UHFFFAOYSA-N -1 3 311.294 1.607 20 5 DDBDHM COc1cc(CNCCN2CC=CCC2)c([N+](=O)[O-])cc1[O-] ZINC000279820559 215174533 /nfs/dbraw/zinc/17/45/33/215174533.db2.gz PIFOQUYTXZNSID-UHFFFAOYSA-N -1 3 307.350 1.661 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000023389979 352183943 /nfs/dbraw/zinc/18/39/43/352183943.db2.gz RZUIKLZJSBMCGR-SNVBAGLBSA-N -1 3 316.335 1.061 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000344922843 282871766 /nfs/dbraw/zinc/87/17/66/282871766.db2.gz VYGGTQGRXORZDM-JTQLQIEISA-N -1 3 301.368 1.132 20 5 DDBDHM CCC(C)(C)N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000593947813 356070513 /nfs/dbraw/zinc/07/05/13/356070513.db2.gz YOYTVFAEITYABE-UHFFFAOYSA-N -1 3 322.365 1.999 20 5 DDBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596076241 356763524 /nfs/dbraw/zinc/76/35/24/356763524.db2.gz NWDCBAXPCUQKJV-UHFFFAOYSA-N -1 3 308.260 1.992 20 5 DDBDHM COC(=O)CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276823663 213116431 /nfs/dbraw/zinc/11/64/31/213116431.db2.gz NPTBNGQSANTIKJ-UHFFFAOYSA-N -1 3 316.335 1.053 20 5 DDBDHM C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598773208 357723939 /nfs/dbraw/zinc/72/39/39/357723939.db2.gz MBYLAPWOVJJFEG-NSHDSACASA-N -1 3 322.365 1.546 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC=CC2)c(F)c1 ZINC000599387608 357919625 /nfs/dbraw/zinc/91/96/25/357919625.db2.gz ZGPDPSCRPDNKFC-UHFFFAOYSA-N -1 3 300.311 1.978 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000180763452 199206534 /nfs/dbraw/zinc/20/65/34/199206534.db2.gz RKLSISKMKWCTCX-LLVKDONJSA-N -1 3 314.363 1.832 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601499694 358576971 /nfs/dbraw/zinc/57/69/71/358576971.db2.gz RADGEQHEANOJPS-FTLITQJKSA-N -1 3 320.392 1.809 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000601523473 358587612 /nfs/dbraw/zinc/58/76/12/358587612.db2.gz UVCZHBRHUNUVOJ-RKDXNWHRSA-N -1 3 324.280 1.965 20 5 DDBDHM O=C([N-]OC[C@H]1CCOC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188318684 200226385 /nfs/dbraw/zinc/22/63/85/200226385.db2.gz LDRPTDWTXRBSDT-QMMMGPOBSA-N -1 3 300.698 1.946 20 5 DDBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188638220 200279996 /nfs/dbraw/zinc/27/99/96/200279996.db2.gz CUGAMUADTPWHNB-UHFFFAOYSA-N -1 3 302.352 1.688 20 5 DDBDHM COCc1nnc(Sc2ncnc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC000611710859 360801014 /nfs/dbraw/zinc/80/10/14/360801014.db2.gz FBUHCMQLIBZOGR-UHFFFAOYSA-N -1 3 318.318 1.954 20 5 DDBDHM COCc1nc(Sc2ncnc3ccc([N+](=O)[O-])cc32)n[n-]1 ZINC000611710859 360801019 /nfs/dbraw/zinc/80/10/19/360801019.db2.gz FBUHCMQLIBZOGR-UHFFFAOYSA-N -1 3 318.318 1.954 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000056130060 184005210 /nfs/dbraw/zinc/00/52/10/184005210.db2.gz FGIHNGFJUHNOLS-NSHDSACASA-N -1 3 314.363 1.608 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000056130061 184005317 /nfs/dbraw/zinc/00/53/17/184005317.db2.gz FGIHNGFJUHNOLS-LLVKDONJSA-N -1 3 314.363 1.608 20 5 DDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1CCC[C@H]1F ZINC000339125423 207368232 /nfs/dbraw/zinc/36/82/32/207368232.db2.gz ZRVZQRUOYPGFBZ-GHMZBOCLSA-N -1 3 302.327 1.905 20 5 DDBDHM CN(C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000412418856 224027111 /nfs/dbraw/zinc/02/71/11/224027111.db2.gz GLMUZVABQDVENG-UHFFFAOYSA-N -1 3 323.334 1.466 20 5 DDBDHM CC[C@@H](O)CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000156816619 197143360 /nfs/dbraw/zinc/14/33/60/197143360.db2.gz JDICZNKLGJPJAY-LLVKDONJSA-N -1 3 316.379 1.651 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000330733444 533228909 /nfs/dbraw/zinc/22/89/09/533228909.db2.gz LSTHLIANFBPNQF-VIFPVBQESA-N -1 3 315.351 1.602 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)OC ZINC000360879046 299765638 /nfs/dbraw/zinc/76/56/38/299765638.db2.gz ZUFVHPSHNBATJA-UHFFFAOYSA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1nn(C)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000014249295 406874001 /nfs/dbraw/zinc/87/40/01/406874001.db2.gz KNDAQYSOXCYVLF-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM CN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000078237057 407021156 /nfs/dbraw/zinc/02/11/56/407021156.db2.gz FNZDVUSGXKVWDX-UHFFFAOYSA-N -1 3 311.266 1.415 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)O)cc1C ZINC000087040312 407116091 /nfs/dbraw/zinc/11/60/91/407116091.db2.gz NYHDOTANSZFGID-UHFFFAOYSA-N -1 3 302.352 1.261 20 5 DDBDHM CCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047542857 407074588 /nfs/dbraw/zinc/07/45/88/407074588.db2.gz IBFXZTNZXAPPGA-UHFFFAOYSA-N -1 3 322.770 1.953 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000124658250 407365535 /nfs/dbraw/zinc/36/55/35/407365535.db2.gz YHGDYWOGUUFKDT-APPZFPTMSA-N -1 3 320.392 1.668 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC2)c(Cl)c1 ZINC000178819950 407613449 /nfs/dbraw/zinc/61/34/49/407613449.db2.gz USSGHJULOWIJJU-ZETCQYMHSA-N -1 3 306.727 1.315 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC2)c1C ZINC000178827144 407616919 /nfs/dbraw/zinc/61/69/19/407616919.db2.gz MWUMUAGRTVEXFL-JTQLQIEISA-N -1 3 300.336 1.279 20 5 DDBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271311036 407628944 /nfs/dbraw/zinc/62/89/44/407628944.db2.gz YXGWWGHBCUUVNV-QWRGUYRKSA-N -1 3 314.363 1.688 20 5 DDBDHM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000130234193 407667490 /nfs/dbraw/zinc/66/74/90/407667490.db2.gz PBQJAGDYYFXAAW-WDEREUQCSA-N -1 3 300.336 1.033 20 5 DDBDHM CCO[C@H]1C[C@](N)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000261955767 407689686 /nfs/dbraw/zinc/68/96/86/407689686.db2.gz XCPYCIQUBBLVLN-WFASDCNBSA-N -1 3 323.349 1.771 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179066373 407710560 /nfs/dbraw/zinc/71/05/60/407710560.db2.gz IFLQQCDWZYMJDZ-UHFFFAOYSA-N -1 3 314.301 1.185 20 5 DDBDHM CCN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151138935 408264116 /nfs/dbraw/zinc/26/41/16/408264116.db2.gz ITYAEHJSPLWQHE-NSHDSACASA-N -1 3 307.350 1.905 20 5 DDBDHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000263715789 408221438 /nfs/dbraw/zinc/22/14/38/408221438.db2.gz VEEIGVKFNLTTKE-SECBINFHSA-N -1 3 318.351 1.307 20 5 DDBDHM CCOC(=O)c1cn(C)nc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000183325809 408379712 /nfs/dbraw/zinc/37/97/12/408379712.db2.gz ZCPBSIUDJRPRMZ-UHFFFAOYSA-N -1 3 324.318 1.819 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CCO)c1 ZINC000183709085 408474758 /nfs/dbraw/zinc/47/47/58/408474758.db2.gz WQJCTLKHPAYOSJ-QMMMGPOBSA-N -1 3 322.770 1.606 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@H](C)O)cc1C ZINC000228205118 163340591 /nfs/dbraw/zinc/34/05/91/163340591.db2.gz HBTGYAFIDLZLDP-QWRGUYRKSA-N -1 3 316.379 1.649 20 5 DDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000280703849 409418205 /nfs/dbraw/zinc/41/82/05/409418205.db2.gz HDABZYSSAPTVDV-PSASIEDQSA-N -1 3 300.336 1.680 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000342481913 409668383 /nfs/dbraw/zinc/66/83/83/409668383.db2.gz ATJNWNCUUHVDNQ-LLVKDONJSA-N -1 3 320.392 1.812 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cnc(C)[n-]c2=O)c1 ZINC000343597472 410560436 /nfs/dbraw/zinc/56/04/36/410560436.db2.gz HTOLWVIYAGIRJJ-UHFFFAOYSA-N -1 3 318.289 1.798 20 5 DDBDHM CC(C)(C)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c([O-])c1 ZINC000337659892 410925706 /nfs/dbraw/zinc/92/57/06/410925706.db2.gz PTWDGASUKIYRFY-UHFFFAOYSA-N -1 3 319.321 1.828 20 5 DDBDHM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000299434363 229115504 /nfs/dbraw/zinc/11/55/04/229115504.db2.gz GKJWBQWETLHILI-UHFFFAOYSA-N -1 3 305.176 1.016 20 5 DDBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000416537385 420409787 /nfs/dbraw/zinc/40/97/87/420409787.db2.gz SUMPGMAMNJJDOS-UWVGGRQHSA-N -1 3 300.336 1.441 20 5 DDBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-]CC(F)(F)CO)c1[N+](=O)[O-] ZINC000302198020 230156563 /nfs/dbraw/zinc/15/65/63/230156563.db2.gz FSNLGDONJGZLIJ-UHFFFAOYSA-N -1 3 321.236 1.343 20 5 DDBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000445667798 230186994 /nfs/dbraw/zinc/18/69/94/230186994.db2.gz SYZSLUCCLFWIRU-UHFFFAOYSA-N -1 3 311.319 1.578 20 5 DDBDHM COc1cc(CNc2nc3n(n2)CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000453054148 420708175 /nfs/dbraw/zinc/70/81/75/420708175.db2.gz RUJLKSYBHYSEJW-UHFFFAOYSA-N -1 3 319.321 1.849 20 5 DDBDHM O=C([O-])[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571571415 421727437 /nfs/dbraw/zinc/72/74/37/421727437.db2.gz RLTUQLYDUXHJMH-YPMHNXCESA-N -1 3 324.333 1.131 20 5 DDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCF)cc1[N+](=O)[O-] ZINC000557075405 421758282 /nfs/dbraw/zinc/75/82/82/421758282.db2.gz AMFQMBPNPOVDSW-UHFFFAOYSA-N -1 3 320.298 1.019 20 5 DDBDHM Nc1nccc([C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC000596214025 422371203 /nfs/dbraw/zinc/37/12/03/422371203.db2.gz MPSXSIRPRCXFIS-VIFPVBQESA-N -1 3 316.321 1.452 20 5 DDBDHM CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)[O-])cc1 ZINC000578875776 422663273 /nfs/dbraw/zinc/66/32/73/422663273.db2.gz XLMGSUHQAGIRDJ-UHFFFAOYSA-N -1 3 304.306 1.622 20 5 DDBDHM Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c(=O)[n-]1 ZINC000345102215 272172259 /nfs/dbraw/zinc/17/22/59/272172259.db2.gz YJEZPFLFWFEUPX-UHFFFAOYSA-N -1 3 303.278 1.032 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])[C@@H]2C1 ZINC000272470275 290155750 /nfs/dbraw/zinc/15/57/50/290155750.db2.gz ZDRSLFCZBPTNMA-ZWNOBZJWSA-N -1 3 305.334 1.467 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271246558 297285721 /nfs/dbraw/zinc/28/57/21/297285721.db2.gz JNFSVBRYYFSSBL-ZJUUUORDSA-N -1 3 300.336 1.441 20 5 DDBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000532096019 307624908 /nfs/dbraw/zinc/62/49/08/307624908.db2.gz HXPUCJVTWBIHND-SSDOTTSWSA-N -1 3 312.307 1.326 20 5 DDBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000533195924 307635953 /nfs/dbraw/zinc/63/59/53/307635953.db2.gz OONAZUZSXXUKQF-GFCCVEGCSA-N -1 3 305.334 1.611 20 5 DDBDHM O=C([N-]O[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000299718122 534716256 /nfs/dbraw/zinc/71/62/56/534716256.db2.gz UNURLHHSIWMNRE-LLVKDONJSA-N -1 3 311.250 1.691 20 5 DDBDHM CCN1C(=O)C(C)(C)N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414207151 528947413 /nfs/dbraw/zinc/94/74/13/528947413.db2.gz ZDRJENUDKWTPDC-GFCCVEGCSA-N -1 3 309.322 1.538 20 5 DDBDHM CCn1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000416596619 529171817 /nfs/dbraw/zinc/17/18/17/529171817.db2.gz ZFWGXWPAQDJLGT-UHFFFAOYSA-N -1 3 324.362 1.598 20 5 DDBDHM Cc1nn(C)c(Sc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737512544 598938926 /nfs/dbraw/zinc/93/89/26/598938926.db2.gz ZJTQYIZOIIMRSI-UHFFFAOYSA-N -1 3 317.334 1.968 20 5 DDBDHM Cc1nn(C)c(Sc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000737512544 598938928 /nfs/dbraw/zinc/93/89/28/598938928.db2.gz ZJTQYIZOIIMRSI-UHFFFAOYSA-N -1 3 317.334 1.968 20 5 DDBDHM CCC(CC)[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736336278 598680004 /nfs/dbraw/zinc/68/00/04/598680004.db2.gz BWKHPAWFBHUTFR-CYBMUJFWSA-N -1 3 320.353 1.984 20 5 DDBDHM CCC(CC)[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736336278 598680006 /nfs/dbraw/zinc/68/00/06/598680006.db2.gz BWKHPAWFBHUTFR-CYBMUJFWSA-N -1 3 320.353 1.984 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374460 599319799 /nfs/dbraw/zinc/31/97/99/599319799.db2.gz OTXKEIZSGXJZPZ-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374460 599319801 /nfs/dbraw/zinc/31/98/01/599319801.db2.gz OTXKEIZSGXJZPZ-UHFFFAOYSA-N -1 3 311.305 1.825 20 5 DDBDHM C/C(=C/CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000825734367 601168621 /nfs/dbraw/zinc/16/86/21/601168621.db2.gz ILSGKUZKUPWAKL-NEOSZVFXSA-N -1 3 306.322 1.507 20 5 DDBDHM C[C@@]1(C(=O)[O-])CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000828035277 601888976 /nfs/dbraw/zinc/88/89/76/601888976.db2.gz JYTKXTXEDCJKSU-CQSZACIVSA-N -1 3 304.306 1.699 20 5 DDBDHM CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000828341882 603487011 /nfs/dbraw/zinc/48/70/11/603487011.db2.gz UZQRYNDPTMXVKK-NSHDSACASA-N -1 3 309.322 1.658 20 5 DDBDHM O=[N+]([O-])c1cnc(NCc2cccc(F)n2)c(-c2nnn[n-]2)c1 ZINC000826501028 607681676 /nfs/dbraw/zinc/68/16/76/607681676.db2.gz WHTDAFNZDVZKRK-UHFFFAOYSA-N -1 3 316.256 1.316 20 5 DDBDHM O=[N+]([O-])c1cnc(NCc2cccc(F)n2)c(-c2nn[n-]n2)c1 ZINC000826501028 607681678 /nfs/dbraw/zinc/68/16/78/607681678.db2.gz WHTDAFNZDVZKRK-UHFFFAOYSA-N -1 3 316.256 1.316 20 5 DDBDHM O=C([O-])N[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000740596644 605911414 /nfs/dbraw/zinc/91/14/14/605911414.db2.gz ZJBSRPFTFGDFEI-NSHDSACASA-N -1 3 322.321 1.265 20 5 DDBDHM O=[N+]([O-])c1ccn(CCSc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000823646796 606328824 /nfs/dbraw/zinc/32/88/24/606328824.db2.gz AKKACLICWVFXES-UHFFFAOYSA-N -1 3 318.322 1.159 20 5 DDBDHM O=[N+]([O-])c1ccn(CCSc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000823646796 606328826 /nfs/dbraw/zinc/32/88/26/606328826.db2.gz AKKACLICWVFXES-UHFFFAOYSA-N -1 3 318.322 1.159 20 5 DDBDHM O=c1ccn(Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000823665277 607040272 /nfs/dbraw/zinc/04/02/72/607040272.db2.gz GIGANGACPJFBBF-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=c1ccn(Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000823665277 607040275 /nfs/dbraw/zinc/04/02/75/607040275.db2.gz GIGANGACPJFBBF-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM C[C@@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824463735 608365269 /nfs/dbraw/zinc/36/52/69/608365269.db2.gz CLQVNTGFESDNDG-VIFPVBQESA-N -1 3 314.309 1.472 20 5 DDBDHM C[C@@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824463735 608365271 /nfs/dbraw/zinc/36/52/71/608365271.db2.gz CLQVNTGFESDNDG-VIFPVBQESA-N -1 3 314.309 1.472 20 5 DDBDHM C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824899811 608801273 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CCN(C)CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119969190 195071987 /nfs/dbraw/zinc/07/19/87/195071987.db2.gz JKZDFLFYUMMLKC-UHFFFAOYSA-N -1 3 315.395 1.442 20 5 DDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156801552 197141048 /nfs/dbraw/zinc/14/10/48/197141048.db2.gz NPIYIYHOWLVOEH-VIFPVBQESA-N -1 3 322.770 1.688 20 5 DDBDHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120504347 195180015 /nfs/dbraw/zinc/18/00/15/195180015.db2.gz NLWFLRXAEBEUFL-SFYZADRCSA-N -1 3 322.770 1.543 20 5 DDBDHM COc1cc(CNCCc2nnc(C)s2)c([N+](=O)[O-])cc1[O-] ZINC000290022950 221386763 /nfs/dbraw/zinc/38/67/63/221386763.db2.gz ZTWISENIYBHGNZ-UHFFFAOYSA-N -1 3 324.362 1.801 20 5 DDBDHM O=c1[n-]cnc2c1CN(c1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000301781371 296500948 /nfs/dbraw/zinc/50/09/48/296500948.db2.gz JMGHBNGYOFZORS-UHFFFAOYSA-N -1 3 308.244 1.931 20 5 DDBDHM COCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189787152 292363214 /nfs/dbraw/zinc/36/32/14/292363214.db2.gz REKXBCYHZBPZMU-UHFFFAOYSA-N -1 3 302.352 1.526 20 5 DDBDHM Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2o1 ZINC000029796237 406927079 /nfs/dbraw/zinc/92/70/79/406927079.db2.gz DIBWFVPEFWNPBV-UHFFFAOYSA-N -1 3 314.257 1.985 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)CCO ZINC000178830239 407618971 /nfs/dbraw/zinc/61/89/71/407618971.db2.gz KPOKCQQTVXYXTC-UHFFFAOYSA-N -1 3 316.379 1.590 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CO ZINC000228606504 407649322 /nfs/dbraw/zinc/64/93/22/407649322.db2.gz JADYMVAMAZQOOA-GHMZBOCLSA-N -1 3 314.363 1.343 20 5 DDBDHM CCOC(=O)c1cc([N-]c2ncc([N+](=O)[O-])c(N)n2)cn1C ZINC000268533367 408086883 /nfs/dbraw/zinc/08/68/83/408086883.db2.gz XSIQXOZVYUVUSD-UHFFFAOYSA-N -1 3 306.282 1.226 20 5 DDBDHM O=C(Nc1nc2c(s1)COCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263936299 408321676 /nfs/dbraw/zinc/32/16/76/408321676.db2.gz PJWBUZZAVAMGOE-UHFFFAOYSA-N -1 3 322.302 1.477 20 5 DDBDHM COc1cc(C(=O)[N-]N2CCCCC2=O)cc([N+](=O)[O-])c1C ZINC000190868533 408333986 /nfs/dbraw/zinc/33/39/86/408333986.db2.gz HOROBYUAPKJQCU-UHFFFAOYSA-N -1 3 307.306 1.569 20 5 DDBDHM C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000159277032 408397275 /nfs/dbraw/zinc/39/72/75/408397275.db2.gz BPUNFVXTQQBFAB-LLVKDONJSA-N -1 3 307.350 1.762 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)C(C)(C)C ZINC000269776617 408423677 /nfs/dbraw/zinc/42/36/77/408423677.db2.gz NYSDZBLVTQQWDO-NSHDSACASA-N -1 3 316.379 1.589 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C ZINC000270618126 408605394 /nfs/dbraw/zinc/60/53/94/408605394.db2.gz JMAZAGRRVANARO-WCBMZHEXSA-N -1 3 316.335 1.059 20 5 DDBDHM Cc1c(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cccc1[N+](=O)[O-] ZINC000192680936 408631429 /nfs/dbraw/zinc/63/14/29/408631429.db2.gz CTAOZEDNXZEFTQ-OAHLLOKOSA-N -1 3 318.333 1.077 20 5 DDBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000285767561 408859560 /nfs/dbraw/zinc/85/95/60/408859560.db2.gz XQKSKHSHOGFOFQ-QWRGUYRKSA-N -1 3 314.363 1.546 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O ZINC000228203122 163340573 /nfs/dbraw/zinc/34/05/73/163340573.db2.gz QBPGEWAZHDJFOM-DTWKUNHWSA-N -1 3 318.351 1.041 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCOC2)c(F)c1 ZINC000287546324 409053083 /nfs/dbraw/zinc/05/30/83/409053083.db2.gz VGLAUZQWQMEQGJ-UHFFFAOYSA-N -1 3 316.310 1.359 20 5 DDBDHM C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000288498834 409170350 /nfs/dbraw/zinc/17/03/50/409170350.db2.gz SAMWKPRHTJWXOI-RYUDHWBXSA-N -1 3 319.361 1.999 20 5 DDBDHM COc1cc(C(=O)[N-]OC[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000295455831 409490458 /nfs/dbraw/zinc/49/04/58/409490458.db2.gz PVVIRBNOEAVRMH-QMMMGPOBSA-N -1 3 314.269 1.440 20 5 DDBDHM Cc1cc(F)c(NC([O-])=NOC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296819522 409646561 /nfs/dbraw/zinc/64/65/61/409646561.db2.gz SAXZQYVUFUFCMV-UHFFFAOYSA-N -1 3 301.274 1.866 20 5 DDBDHM Cc1cc(F)c(NC(=O)[N-]OC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296819522 409646568 /nfs/dbraw/zinc/64/65/68/409646568.db2.gz SAXZQYVUFUFCMV-UHFFFAOYSA-N -1 3 301.274 1.866 20 5 DDBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000354535909 409925195 /nfs/dbraw/zinc/92/51/95/409925195.db2.gz OKXADPCRVZJBRI-LBPRGKRZSA-N -1 3 318.326 1.439 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)cc1 ZINC000353819574 411132871 /nfs/dbraw/zinc/13/28/71/411132871.db2.gz WRAAUJYJHGOPIZ-UHFFFAOYSA-N -1 3 314.241 1.410 20 5 DDBDHM CN(C)C(=O)Cn1ccc([N-]c2c(F)cccc2[N+](=O)[O-])n1 ZINC000342372080 418627987 /nfs/dbraw/zinc/62/79/87/418627987.db2.gz ILFWIGYSGNRZPM-UHFFFAOYSA-N -1 3 307.285 1.762 20 5 DDBDHM C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000418110978 419536904 /nfs/dbraw/zinc/53/69/04/419536904.db2.gz KGESZPHNGHOCRE-NWDGAFQWSA-N -1 3 309.366 1.187 20 5 DDBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000444979772 230147720 /nfs/dbraw/zinc/14/77/20/230147720.db2.gz AYEUQKMBXFCPBD-NSHDSACASA-N -1 3 306.322 1.004 20 5 DDBDHM CNc1nccc(C(=O)NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000561260178 421317826 /nfs/dbraw/zinc/31/78/26/421317826.db2.gz ZVWBQGQPZIULGY-UHFFFAOYSA-N -1 3 320.280 1.806 20 5 DDBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1c([O-])cccc1Cl ZINC000581160730 421910036 /nfs/dbraw/zinc/91/00/36/421910036.db2.gz SPFVMRGGWLJSFO-UHFFFAOYSA-N -1 3 323.692 1.754 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@@H]21 ZINC000368411689 301021885 /nfs/dbraw/zinc/02/18/85/301021885.db2.gz JBECBFQWVRAZRB-MFKMUULPSA-N -1 3 305.334 1.467 20 5 DDBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144824 303277337 /nfs/dbraw/zinc/27/73/37/303277337.db2.gz MGACARSGHZFNPZ-UHFFFAOYSA-N -1 3 323.290 1.270 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1n[n-]c(CO)n1 ZINC000561304713 307925664 /nfs/dbraw/zinc/92/56/64/307925664.db2.gz ZMYOOLIICKEICX-UHFFFAOYSA-N -1 3 324.318 1.451 20 5 DDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CO1 ZINC000566164022 308047187 /nfs/dbraw/zinc/04/71/87/308047187.db2.gz JKRMDRKCIIDMIG-SFYZADRCSA-N -1 3 304.299 1.190 20 5 DDBDHM C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584294368 332222002 /nfs/dbraw/zinc/22/20/02/332222002.db2.gz QFUVRYUCRUXHLT-CMPLNLGQSA-N -1 3 320.349 1.751 20 5 DDBDHM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000295862889 526848800 /nfs/dbraw/zinc/84/88/00/526848800.db2.gz JHXCIJFJAHVPND-UHFFFAOYSA-N -1 3 324.362 1.984 20 5 DDBDHM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000295862889 526848805 /nfs/dbraw/zinc/84/88/05/526848805.db2.gz JHXCIJFJAHVPND-UHFFFAOYSA-N -1 3 324.362 1.984 20 5 DDBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000444283556 528431850 /nfs/dbraw/zinc/43/18/50/528431850.db2.gz RHVPUGKPJJYEPV-UHFFFAOYSA-N -1 3 316.379 1.997 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000451896732 529194474 /nfs/dbraw/zinc/19/44/74/529194474.db2.gz SPNYQQBSKXUPKF-GHMZBOCLSA-N -1 3 316.379 1.649 20 5 DDBDHM Cc1nn(C)c(Oc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737511345 598934794 /nfs/dbraw/zinc/93/47/94/598934794.db2.gz MUYLKLJAUGYKNM-UHFFFAOYSA-N -1 3 301.266 1.609 20 5 DDBDHM Cc1nn(C)c(Oc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000737511345 598934796 /nfs/dbraw/zinc/93/47/96/598934796.db2.gz MUYLKLJAUGYKNM-UHFFFAOYSA-N -1 3 301.266 1.609 20 5 DDBDHM CN(Cc1cccnc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821615589 599201674 /nfs/dbraw/zinc/20/16/74/599201674.db2.gz DNLHBKCXHUQSJA-UHFFFAOYSA-N -1 3 312.293 1.201 20 5 DDBDHM CN(Cc1cccnc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821615589 599201676 /nfs/dbraw/zinc/20/16/76/599201676.db2.gz DNLHBKCXHUQSJA-UHFFFAOYSA-N -1 3 312.293 1.201 20 5 DDBDHM CC[C@H](C[C@H](C)CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820881574 599359920 /nfs/dbraw/zinc/35/99/20/599359920.db2.gz BIXCSTGGVOJBQD-GXSJLCMTSA-N -1 3 320.353 1.984 20 5 DDBDHM CC[C@H](C[C@H](C)CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820881574 599359921 /nfs/dbraw/zinc/35/99/21/599359921.db2.gz BIXCSTGGVOJBQD-GXSJLCMTSA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735604869 599231943 /nfs/dbraw/zinc/23/19/43/599231943.db2.gz ZYBKNTQOKUYRIJ-SNVBAGLBSA-N -1 3 320.353 1.984 20 5 DDBDHM CC(C)(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735604869 599231947 /nfs/dbraw/zinc/23/19/47/599231947.db2.gz ZYBKNTQOKUYRIJ-SNVBAGLBSA-N -1 3 320.353 1.984 20 5 DDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000820462007 599574159 /nfs/dbraw/zinc/57/41/59/599574159.db2.gz UEYWCFLSHNLWON-QMMMGPOBSA-N -1 3 314.309 1.682 20 5 DDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000820462007 599574161 /nfs/dbraw/zinc/57/41/61/599574161.db2.gz UEYWCFLSHNLWON-QMMMGPOBSA-N -1 3 314.309 1.682 20 5 DDBDHM O=c1ccn(Cc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823665473 599697621 /nfs/dbraw/zinc/69/76/21/599697621.db2.gz LJENRDKUSLNFJV-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=c1ccn(Cc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823665473 599697622 /nfs/dbraw/zinc/69/76/22/599697622.db2.gz LJENRDKUSLNFJV-UHFFFAOYSA-N -1 3 316.252 1.124 20 5 DDBDHM O=C([O-])CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000833249228 600856098 /nfs/dbraw/zinc/85/60/98/600856098.db2.gz MXSAZCMJNWDMID-UHFFFAOYSA-N -1 3 312.297 1.800 20 5 DDBDHM C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739186814 602790646 /nfs/dbraw/zinc/79/06/46/602790646.db2.gz UFMXLVWJLKTPJB-FZMZJTMJSA-N -1 3 323.349 1.952 20 5 DDBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCSC2)c(-c2nnn[n-]2)c1 ZINC000823651942 606402336 /nfs/dbraw/zinc/40/23/36/606402336.db2.gz SGLDNYNQOOKZQV-ZETCQYMHSA-N -1 3 307.339 1.477 20 5 DDBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCSC2)c(-c2nn[n-]n2)c1 ZINC000823651942 606402337 /nfs/dbraw/zinc/40/23/37/606402337.db2.gz SGLDNYNQOOKZQV-ZETCQYMHSA-N -1 3 307.339 1.477 20 5 DDBDHM CC(C)NC(=O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820131899 606644483 /nfs/dbraw/zinc/64/44/83/606644483.db2.gz GSYNGALVMXNTTA-UHFFFAOYSA-N -1 3 319.325 1.102 20 5 DDBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCO1 ZINC000820623037 606724227 /nfs/dbraw/zinc/72/42/27/606724227.db2.gz CFSJJFASCMFQGH-ZDUSSCGKSA-N -1 3 304.310 1.756 20 5 DDBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCO1 ZINC000820623037 606724229 /nfs/dbraw/zinc/72/42/29/606724229.db2.gz CFSJJFASCMFQGH-ZDUSSCGKSA-N -1 3 304.310 1.756 20 5 DDBDHM COC(=O)C(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821638971 606804723 /nfs/dbraw/zinc/80/47/23/606804723.db2.gz MBMNUZNGXDTAKZ-UHFFFAOYSA-N -1 3 320.309 1.386 20 5 DDBDHM COC(=O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821638971 606804725 /nfs/dbraw/zinc/80/47/25/606804725.db2.gz MBMNUZNGXDTAKZ-UHFFFAOYSA-N -1 3 320.309 1.386 20 5 DDBDHM COC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000826153086 607842099 /nfs/dbraw/zinc/84/20/99/607842099.db2.gz BBGYIGVWFJYMSM-JTQLQIEISA-N -1 3 318.337 1.638 20 5 DDBDHM CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000825261139 607969837 /nfs/dbraw/zinc/96/98/37/607969837.db2.gz VBRRONYQCATZLN-SNVBAGLBSA-N -1 3 319.325 1.175 20 5 DDBDHM CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000825261139 607969838 /nfs/dbraw/zinc/96/98/38/607969838.db2.gz VBRRONYQCATZLN-SNVBAGLBSA-N -1 3 319.325 1.175 20 5 DDBDHM CO[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826146417 608414924 /nfs/dbraw/zinc/41/49/24/608414924.db2.gz VQEXXURKKUQAAE-GZMMTYOYSA-N -1 3 319.325 1.397 20 5 DDBDHM CO[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826146417 608414925 /nfs/dbraw/zinc/41/49/25/608414925.db2.gz VQEXXURKKUQAAE-GZMMTYOYSA-N -1 3 319.325 1.397 20 5 DDBDHM O=C([N-]N1CCCC1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000780700220 698550767 /nfs/dbraw/zinc/55/07/67/698550767.db2.gz QXFJDARMXQRERX-UHFFFAOYSA-N -1 3 317.223 1.881 20 5 DDBDHM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000790402736 699457365 /nfs/dbraw/zinc/45/73/65/699457365.db2.gz HOJKAFOZAPGMJU-UHFFFAOYSA-N -1 3 315.332 1.866 20 5 DDBDHM Cc1cn(CCOc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826317356 705790308 /nfs/dbraw/zinc/79/03/08/705790308.db2.gz ZMPZDGKAGSFEAH-UHFFFAOYSA-N -1 3 314.305 1.964 20 5 DDBDHM Cc1cn(CCOc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826317356 705790311 /nfs/dbraw/zinc/79/03/11/705790311.db2.gz ZMPZDGKAGSFEAH-UHFFFAOYSA-N -1 3 314.305 1.964 20 5 DDBDHM Cc1cn(CCOc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826317040 705790758 /nfs/dbraw/zinc/79/07/58/705790758.db2.gz KIRGDOMUDGVZEP-UHFFFAOYSA-N -1 3 314.305 1.964 20 5 DDBDHM Cc1cn(CCOc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826317040 705790759 /nfs/dbraw/zinc/79/07/59/705790759.db2.gz KIRGDOMUDGVZEP-UHFFFAOYSA-N -1 3 314.305 1.964 20 5 DDBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826468278 705802640 /nfs/dbraw/zinc/80/26/40/705802640.db2.gz JZDQXPMJHUADJN-UHFFFAOYSA-N -1 3 318.224 1.461 20 5 DDBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826468278 705802645 /nfs/dbraw/zinc/80/26/45/705802645.db2.gz JZDQXPMJHUADJN-UHFFFAOYSA-N -1 3 318.224 1.461 20 5 DDBDHM CO[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000872162646 707311083 /nfs/dbraw/zinc/31/10/83/707311083.db2.gz VGXNGFLSVQINSE-JSGCOSHPSA-N -1 3 308.334 1.967 20 5 DDBDHM Cc1cc(=O)[n-]c(N2CCN(c3ccsc3[N+](=O)[O-])CC2)n1 ZINC000884703972 708362282 /nfs/dbraw/zinc/36/22/82/708362282.db2.gz QRTCIWRQDWUXOY-UHFFFAOYSA-N -1 3 321.362 1.787 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC000910353095 709907080 /nfs/dbraw/zinc/90/70/80/709907080.db2.gz XNYOWBYITBYYJE-UHFFFAOYSA-N -1 3 308.338 1.528 20 5 DDBDHM CCC(=O)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001125336761 732840879 /nfs/dbraw/zinc/84/08/79/732840879.db2.gz QXHNSIXHFQTZQO-UHFFFAOYSA-N -1 3 310.354 1.779 20 5 DDBDHM CC(C)C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112032107 736843672 /nfs/dbraw/zinc/84/36/72/736843672.db2.gz RFRJHKWLHGCFDN-UHFFFAOYSA-N -1 3 310.354 1.636 20 5 DDBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C/C1CC1 ZINC001105353289 738990374 /nfs/dbraw/zinc/99/03/74/738990374.db2.gz DGNXIPLWYWJFPI-AATRIKPKSA-N -1 3 320.349 1.556 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])nn1 ZINC001211712907 739210412 /nfs/dbraw/zinc/21/04/12/739210412.db2.gz CQWAETMLVHJQTO-UHFFFAOYSA-N -1 3 322.346 1.214 20 5 DDBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1(C)CC1 ZINC001105505485 742091901 /nfs/dbraw/zinc/09/19/01/742091901.db2.gz LDGTUTKDFUCZQQ-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC=CC1 ZINC001107098336 749020940 /nfs/dbraw/zinc/02/09/40/749020940.db2.gz RIPIEVFLNOIHMA-ONEGZZNKSA-N -1 3 318.333 1.746 20 5 DDBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC001093734010 775045049 /nfs/dbraw/zinc/04/50/49/775045049.db2.gz ZETTUUGJDNXIBC-UHFFFAOYSA-N -1 3 322.346 1.907 20 5 DDBDHM CCc1ccoc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094102312 775478696 /nfs/dbraw/zinc/47/86/96/775478696.db2.gz OPVHKCGOAYELLW-UHFFFAOYSA-N -1 3 320.305 1.693 20 5 DDBDHM CCN(CCNC(=O)C=C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100490072 776226889 /nfs/dbraw/zinc/22/68/89/776226889.db2.gz RDQFECDRSJQTIA-UHFFFAOYSA-N -1 3 320.349 1.748 20 5 DDBDHM COCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111737029 779456503 /nfs/dbraw/zinc/45/65/03/779456503.db2.gz IBYIKFODNOLBEM-UHFFFAOYSA-N -1 3 324.337 1.183 20 5 DDBDHM O=C(NCCOCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001115374659 780075880 /nfs/dbraw/zinc/07/58/80/780075880.db2.gz MYNFECBIULHIMT-UHFFFAOYSA-N -1 3 324.337 1.040 20 5 DDBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@@H]1COc2ccccc2O1 ZINC001225663149 881962719 /nfs/dbraw/zinc/96/27/19/881962719.db2.gz ZEMHMFXQKKAEMF-VIFPVBQESA-N -1 3 304.258 1.914 20 5 DDBDHM Cc1cccc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c1[N+](=O)[O-] ZINC001163042852 868027062 /nfs/dbraw/zinc/02/70/62/868027062.db2.gz YYLWSQXFAPPYTG-UHFFFAOYSA-N -1 3 319.302 1.589 20 5 DDBDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001210031176 875200646 /nfs/dbraw/zinc/20/06/46/875200646.db2.gz OMMJRHMVDLNLIA-LBPRGKRZSA-N -1 3 320.342 1.482 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H](O)C2CC2)c([N+](=O)[O-])s1 ZINC001213998144 876124629 /nfs/dbraw/zinc/12/46/29/876124629.db2.gz GTDQHODRSNVUFE-SECBINFHSA-N -1 3 320.392 1.404 20 5 DDBDHM CCOC(=O)CC1CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692881 883135441 /nfs/dbraw/zinc/13/54/41/883135441.db2.gz GYOGFARBBFAQPR-UHFFFAOYSA-N -1 3 320.305 1.977 20 5 DDBDHM CC(=O)N1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227745267 883155802 /nfs/dbraw/zinc/15/58/02/883155802.db2.gz LLEYZXGTTCBIOD-NSHDSACASA-N -1 3 304.306 1.861 20 5 DDBDHM CC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227745267 883155804 /nfs/dbraw/zinc/15/58/04/883155804.db2.gz LLEYZXGTTCBIOD-NSHDSACASA-N -1 3 304.306 1.861 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(N)=O)cc2F)n1 ZINC001265479313 902058444 /nfs/dbraw/zinc/05/84/44/902058444.db2.gz IJAXOQZYUXXVCY-UHFFFAOYSA-N -1 3 321.268 1.302 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000451758658 231183866 /nfs/dbraw/zinc/18/38/66/231183866.db2.gz CJTCVVKOOFJNTM-SSDOTTSWSA-N -1 3 322.408 1.793 20 5 DDBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc(OC)c1 ZINC000016494277 352161521 /nfs/dbraw/zinc/16/15/21/352161521.db2.gz AQECERZWXFQMMG-UHFFFAOYSA-N -1 3 319.273 1.965 20 5 DDBDHM O=C([N-]c1nncs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031273050 352264078 /nfs/dbraw/zinc/26/40/78/352264078.db2.gz NMZDTZUFKSWUAF-UHFFFAOYSA-N -1 3 316.302 1.884 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032474301 352280047 /nfs/dbraw/zinc/28/00/47/352280047.db2.gz LAGMUWDFKZJKEH-IUCAKERBSA-N -1 3 300.336 1.538 20 5 DDBDHM O=C([N-]C1=NCCS1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060553373 352875510 /nfs/dbraw/zinc/87/55/10/352875510.db2.gz XDTRJVRXGZRQEZ-UHFFFAOYSA-N -1 3 309.303 1.199 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000601319468 358494062 /nfs/dbraw/zinc/49/40/62/358494062.db2.gz AXZIRYGWOHCPEL-VIFPVBQESA-N -1 3 319.408 1.337 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000593571005 355929545 /nfs/dbraw/zinc/92/95/45/355929545.db2.gz DKUMVWIKUDPZHC-VHSXEESVSA-N -1 3 315.351 1.083 20 5 DDBDHM COC[C@@]1(C(=O)[O-])CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593752023 355986399 /nfs/dbraw/zinc/98/63/99/355986399.db2.gz KBKCAABXFXKJEY-OAHLLOKOSA-N -1 3 308.334 1.908 20 5 DDBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CO1 ZINC000594794613 356319374 /nfs/dbraw/zinc/31/93/74/356319374.db2.gz ISGFKJKOCYKCDN-MRVPVSSYSA-N -1 3 318.326 1.580 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000565256476 304058906 /nfs/dbraw/zinc/05/89/06/304058906.db2.gz ZQVZBUVRWANHHA-CHWSQXEVSA-N -1 3 324.333 1.667 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)C1CC1 ZINC000604399904 359747246 /nfs/dbraw/zinc/74/72/46/359747246.db2.gz YOKUBRMTRLMOOZ-SECBINFHSA-N -1 3 314.363 1.928 20 5 DDBDHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565930347 304104107 /nfs/dbraw/zinc/10/41/07/304104107.db2.gz SAEJPNIBRGVDCX-ZETCQYMHSA-N -1 3 323.334 1.325 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c1C ZINC000425207478 307301917 /nfs/dbraw/zinc/30/19/17/307301917.db2.gz MQBODWMGJBFPRM-MWLCHTKSSA-N -1 3 300.336 1.013 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC2)c1C ZINC000119919125 195062421 /nfs/dbraw/zinc/06/24/21/195062421.db2.gz OIUOYKJRYGBCTJ-LLVKDONJSA-N -1 3 314.363 1.526 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC1(C)C ZINC000352470120 285074411 /nfs/dbraw/zinc/07/44/11/285074411.db2.gz HVRKUQTVXOVOHR-VIFPVBQESA-N -1 3 314.363 1.928 20 5 DDBDHM Cc1cc([N+](=O)[O-])cn(Cc2cc(=O)[n-]c(C3CC3)n2)c1=O ZINC000413001067 224117754 /nfs/dbraw/zinc/11/77/54/224117754.db2.gz PDXUHBLFXXYLMF-UHFFFAOYSA-N -1 3 302.290 1.486 20 5 DDBDHM COC(=O)CCCO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000294528110 533394327 /nfs/dbraw/zinc/39/43/27/533394327.db2.gz VBLJQWHUWSJLSJ-UHFFFAOYSA-N -1 3 316.697 1.863 20 5 DDBDHM COCC(C)(C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000292670395 292198287 /nfs/dbraw/zinc/19/82/87/292198287.db2.gz OXEFOPXELHUQOY-UHFFFAOYSA-N -1 3 316.379 1.854 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(F)c1 ZINC000048659746 407103309 /nfs/dbraw/zinc/10/33/09/407103309.db2.gz HMUUOPGLEDJQMA-SECBINFHSA-N -1 3 304.299 1.191 20 5 DDBDHM Cn1cc(CCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000102662186 407325408 /nfs/dbraw/zinc/32/54/08/407325408.db2.gz YLEJVWLOMQTRCA-UHFFFAOYSA-N -1 3 324.362 1.239 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]CCn2ccnc2)c([N+](=O)[O-])c1 ZINC000101569060 407311221 /nfs/dbraw/zinc/31/12/21/407311221.db2.gz FCSVDJPSJVSFOP-UHFFFAOYSA-N -1 3 310.335 1.078 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000125152620 407380593 /nfs/dbraw/zinc/38/05/93/407380593.db2.gz UOWNSBHZLOFVRY-MRVPVSSYSA-N -1 3 308.381 1.260 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000267249638 407807310 /nfs/dbraw/zinc/80/73/10/407807310.db2.gz ZGJSEURYYHRUNB-SECBINFHSA-N -1 3 302.377 1.769 20 5 DDBDHM C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181884476 408051386 /nfs/dbraw/zinc/05/13/86/408051386.db2.gz RTDRPNFLEMCTTJ-LLVKDONJSA-N -1 3 307.350 1.762 20 5 DDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269737465 408410748 /nfs/dbraw/zinc/41/07/48/408410748.db2.gz DKOBTWCVDQSPPN-GXSJLCMTSA-N -1 3 302.352 1.280 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CSC ZINC000265486702 408667137 /nfs/dbraw/zinc/66/71/37/408667137.db2.gz UGXJRHJGKWSDFX-QMMMGPOBSA-N -1 3 320.392 1.633 20 5 DDBDHM 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WILDPGLRRFPCAT-UHFFFAOYSA-N -1 3 312.307 1.004 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1n[n-]c(C)n1 ZINC001326782868 861609148 /nfs/dbraw/zinc/60/91/48/861609148.db2.gz WILDPGLRRFPCAT-UHFFFAOYSA-N -1 3 312.307 1.004 20 5 DDBDHM C[C@@H]1CCN(c2nnc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2C)C1 ZINC001123278127 859158210 /nfs/dbraw/zinc/15/82/10/859158210.db2.gz SYSNNUJNFNENCS-MRVPVSSYSA-N -1 3 304.310 1.337 20 5 DDBDHM Cc1ncc(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)c(=O)[n-]1 ZINC001162301821 867427136 /nfs/dbraw/zinc/42/71/36/867427136.db2.gz CXXLORUTXDRGFZ-LBPRGKRZSA-N -1 3 324.300 1.862 20 5 DDBDHM CN(C)c1ccc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001164383041 869171261 /nfs/dbraw/zinc/17/12/61/869171261.db2.gz SOELNBLEQABIQZ-JTQLQIEISA-N -1 3 305.338 1.585 20 5 DDBDHM C[C@@H](Oc1cc(=O)[n-]cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226948036 882738768 /nfs/dbraw/zinc/73/87/68/882738768.db2.gz ZMHSAGPPGCKUAS-SSDOTTSWSA-N -1 3 305.246 1.959 20 5 DDBDHM Nc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001300193792 877111951 /nfs/dbraw/zinc/11/19/51/877111951.db2.gz LJZGWIUIMWAMKR-VIFPVBQESA-N -1 3 317.305 1.235 20 5 DDBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCN(C(C)C)C2)cc1[O-] ZINC001228814218 883683408 /nfs/dbraw/zinc/68/34/08/883683408.db2.gz KOGYCMLJDQMTNY-JTQLQIEISA-N -1 3 324.333 1.949 20 5 DDBDHM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cccnc21 ZINC001294124050 914928191 /nfs/dbraw/zinc/92/81/91/914928191.db2.gz SCVSZEVYUYCPLE-UHFFFAOYSA-N -1 3 315.289 1.187 20 5 DDBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000451801258 529499408 /nfs/dbraw/zinc/49/94/08/529499408.db2.gz HBCPGGDXCUDJRG-ZDUSSCGKSA-N -1 3 316.379 1.997 20 5 DDBDHM CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182020093 199375163 /nfs/dbraw/zinc/37/51/63/199375163.db2.gz OGFXFRBGGOEWIR-LLVKDONJSA-N -1 3 307.350 1.714 20 5 DDBDHM NC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000029152405 352235810 /nfs/dbraw/zinc/23/58/10/352235810.db2.gz DKQKZDXSUHNVDI-UHFFFAOYSA-N -1 3 317.261 1.026 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1CC1 ZINC000173768552 198249996 /nfs/dbraw/zinc/24/99/96/198249996.db2.gz PUADATFHDNQIBU-UHFFFAOYSA-N -1 3 300.336 1.682 20 5 DDBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000074972467 353341357 /nfs/dbraw/zinc/34/13/57/353341357.db2.gz WFKSNWKOOXGNAP-NSHDSACASA-N -1 3 320.342 1.683 20 5 DDBDHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000080727397 353625039 /nfs/dbraw/zinc/62/50/39/353625039.db2.gz WQXXCTSFHCCYLG-JTQLQIEISA-N -1 3 324.362 1.851 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000120659221 354012967 /nfs/dbraw/zinc/01/29/67/354012967.db2.gz FGENMXLZHBJFGT-NSHDSACASA-N -1 3 302.352 1.198 20 5 DDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000160322088 354238415 /nfs/dbraw/zinc/23/84/15/354238415.db2.gz WULKNAFBOAEKBH-JTQLQIEISA-N -1 3 302.352 1.607 20 5 DDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000588875951 354945344 /nfs/dbraw/zinc/94/53/44/354945344.db2.gz MUAIEJDCKCAVCC-UHFFFAOYSA-N -1 3 324.724 1.634 20 5 DDBDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593608668 355940722 /nfs/dbraw/zinc/94/07/22/355940722.db2.gz OQHHXNBOHRFDMH-UHFFFAOYSA-N -1 3 317.367 1.472 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCCO1 ZINC000593573410 355930666 /nfs/dbraw/zinc/93/06/66/355930666.db2.gz QSIGFSWGUGOTNG-KOLCDFICSA-N -1 3 315.351 1.226 20 5 DDBDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593612881 355942849 /nfs/dbraw/zinc/94/28/49/355942849.db2.gz IHQINNTZIIKERF-VXNVDRBHSA-N -1 3 303.365 1.162 20 5 DDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCCF ZINC000594763797 356310429 /nfs/dbraw/zinc/31/04/29/356310429.db2.gz BEYOFLJBJUAMEC-UHFFFAOYSA-N -1 3 313.310 1.781 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2([C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000595361775 356465765 /nfs/dbraw/zinc/46/57/65/356465765.db2.gz QWXWNCKLSLATMA-JTQLQIEISA-N -1 3 314.363 1.403 20 5 DDBDHM O=c1[n-]ccc(N2CCN(Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000596063627 356758561 /nfs/dbraw/zinc/75/85/61/356758561.db2.gz XDXDQPMKRGHZBX-UHFFFAOYSA-N -1 3 304.306 1.611 20 5 DDBDHM CCCNC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071674 356761898 /nfs/dbraw/zinc/76/18/98/356761898.db2.gz RJMJRZMTCCFQCI-UHFFFAOYSA-N -1 3 308.338 1.438 20 5 DDBDHM O=c1[n-]ccc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596211978 356816283 /nfs/dbraw/zinc/81/62/83/356816283.db2.gz ZYCGCXMIVLXSPK-GMSGAONNSA-N -1 3 321.255 1.835 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598621539 357657710 /nfs/dbraw/zinc/65/77/10/357657710.db2.gz IEOCSDQAOBZIMH-QMMMGPOBSA-N -1 3 306.290 1.918 20 5 DDBDHM COc1nnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[n-]1 ZINC000179368339 199023401 /nfs/dbraw/zinc/02/34/01/199023401.db2.gz YFASASMJICCUDY-UHFFFAOYSA-N -1 3 318.293 1.548 20 5 DDBDHM COc1nc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[n-]1 ZINC000179368339 199023402 /nfs/dbraw/zinc/02/34/02/199023402.db2.gz YFASASMJICCUDY-UHFFFAOYSA-N -1 3 318.293 1.548 20 5 DDBDHM COc1n[n-]c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000179368339 199023404 /nfs/dbraw/zinc/02/34/04/199023404.db2.gz YFASASMJICCUDY-UHFFFAOYSA-N -1 3 318.293 1.548 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nn3cnnc3s2)c1 ZINC000610337260 360417205 /nfs/dbraw/zinc/41/72/05/360417205.db2.gz PNHGJNWTDBOOKP-UHFFFAOYSA-N -1 3 304.291 1.655 20 5 DDBDHM O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891567 360565128 /nfs/dbraw/zinc/56/51/28/360565128.db2.gz WEUWXUQQASLKHB-GFCCVEGCSA-N -1 3 305.334 1.515 20 5 DDBDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000339045930 250267350 /nfs/dbraw/zinc/26/73/50/250267350.db2.gz SKALCGNSBARSJY-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(F)c1 ZINC000056130007 184005413 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COC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030007922 406929234 /nfs/dbraw/zinc/92/92/34/406929234.db2.gz MUSRYMIQUANUOI-UHFFFAOYSA-N -1 3 322.726 1.090 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCCCO ZINC000123428387 407328146 /nfs/dbraw/zinc/32/81/46/407328146.db2.gz ANYHYIHMTFNCLY-UHFFFAOYSA-N -1 3 302.352 1.426 20 5 DDBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124388070 407357022 /nfs/dbraw/zinc/35/70/22/407357022.db2.gz UPVHVOIPHSOAQQ-MRVPVSSYSA-N -1 3 308.381 1.404 20 5 DDBDHM CN(C)C(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000114851746 407626761 /nfs/dbraw/zinc/62/67/61/407626761.db2.gz RGWPPKQEUDFFLL-UHFFFAOYSA-N -1 3 304.262 1.537 20 5 DDBDHM C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000261944517 407686454 /nfs/dbraw/zinc/68/64/54/407686454.db2.gz VHXVFQMLHVXIEK-RNCFNFMXSA-N -1 3 321.333 1.379 20 5 DDBDHM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CN1C1CC1 ZINC000133592006 407863488 /nfs/dbraw/zinc/86/34/88/407863488.db2.gz BIXNSZRZIVMUNB-BDAKNGLRSA-N -1 3 306.322 1.050 20 5 DDBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119262262 408026768 /nfs/dbraw/zinc/02/67/68/408026768.db2.gz DJOIUULTRVRRMB-SECBINFHSA-N -1 3 306.315 1.173 20 5 DDBDHM COc1cc(CNCc2cc(C(N)=O)co2)c([N+](=O)[O-])cc1[O-] ZINC000189410873 408013378 /nfs/dbraw/zinc/01/33/78/408013378.db2.gz VDHWAQBXHGSOKQ-UHFFFAOYSA-N -1 3 321.289 1.291 20 5 DDBDHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182087522 408071920 /nfs/dbraw/zinc/07/19/20/408071920.db2.gz ADTXRGXCLVCGRJ-YPMHNXCESA-N -1 3 319.361 1.999 20 5 DDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000191216242 408388947 /nfs/dbraw/zinc/38/89/47/408388947.db2.gz DLTZIGPXANPGMU-ZETCQYMHSA-N -1 3 308.743 1.561 20 5 DDBDHM O=C(NC[C@H]1CCCCN1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277630159 408980835 /nfs/dbraw/zinc/98/08/35/408980835.db2.gz XBWGFHDDCWGJRS-GFCCVEGCSA-N -1 3 320.349 1.442 20 5 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DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC000158492876 408340921 /nfs/dbraw/zinc/34/09/21/408340921.db2.gz OLCCVPHVCPLTGC-LBPRGKRZSA-N -1 3 300.336 1.361 20 5 DDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000158878515 408367718 /nfs/dbraw/zinc/36/77/18/408367718.db2.gz KUWHRUPMPZCSDD-SECBINFHSA-N -1 3 318.351 1.043 20 5 DDBDHM COc1cc(C(=O)[N-]c2n[nH]c(C)n2)c([N+](=O)[O-])cc1OC ZINC000264201739 408399443 /nfs/dbraw/zinc/39/94/43/408399443.db2.gz QOCWVOWKSJEMJH-UHFFFAOYSA-N -1 3 307.266 1.291 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)OC ZINC000276195426 408824895 /nfs/dbraw/zinc/82/48/95/408824895.db2.gz XVWMGTKRJYDJIT-DTWKUNHWSA-N -1 3 318.351 1.305 20 5 DDBDHM O=C(COc1cccc([N+](=O)[O-])c1)[N-]c1nncn1C1CC1 ZINC000285804457 408866993 /nfs/dbraw/zinc/86/69/93/408866993.db2.gz MYNZUOOJZWLXQD-UHFFFAOYSA-N -1 3 303.278 1.539 20 5 DDBDHM COC(=O)CCCO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290720787 409498110 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CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cncc([O-])c1 ZINC000561135347 421307889 /nfs/dbraw/zinc/30/78/89/421307889.db2.gz LDVCPUUXTJOCAE-UHFFFAOYSA-N -1 3 301.302 1.897 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000571996189 421758829 /nfs/dbraw/zinc/75/88/29/421758829.db2.gz GQQYGTGGJPDSEL-NXEZZACHSA-N -1 3 300.336 1.359 20 5 DDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558082 422321129 /nfs/dbraw/zinc/32/11/29/422321129.db2.gz NODVBSYDGPHUMT-UHFFFAOYSA-N -1 3 313.273 2.011 20 5 DDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)[N-]c1nncn1-c1ccccc1 ZINC000344715559 272098232 /nfs/dbraw/zinc/09/82/32/272098232.db2.gz YEXSKLKNGZNSCN-UHFFFAOYSA-N -1 3 313.277 1.011 20 5 DDBDHM CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248482838 290174456 /nfs/dbraw/zinc/17/44/56/290174456.db2.gz CFQVYGVAZKOQNA-QWHCGFSZSA-N -1 3 319.361 1.857 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC000274990526 290230762 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ZINC000060816909 407227238 /nfs/dbraw/zinc/22/72/38/407227238.db2.gz ZUWILOWRVJSWSW-UHFFFAOYSA-N -1 3 324.318 1.046 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000272115971 407780278 /nfs/dbraw/zinc/78/02/78/407780278.db2.gz ZSXMMBLCMVMDKI-ZYHUDNBSSA-N -1 3 314.363 1.831 20 5 DDBDHM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1C1CC1 ZINC000158161035 408331300 /nfs/dbraw/zinc/33/13/00/408331300.db2.gz XCMZBLGOWDPKEB-UWVGGRQHSA-N -1 3 305.334 1.655 20 5 DDBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000191061502 408367404 /nfs/dbraw/zinc/36/74/04/408367404.db2.gz RZCFJFPKMCTBQJ-PSASIEDQSA-N -1 3 318.326 1.580 20 5 DDBDHM CC(C)(C)n1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000187038202 163003516 /nfs/dbraw/zinc/00/35/16/163003516.db2.gz YVIPRDJJJOOUNH-UHFFFAOYSA-N -1 3 305.294 1.899 20 5 DDBDHM C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000287048013 409003006 /nfs/dbraw/zinc/00/30/06/409003006.db2.gz JDKAFOLHYZMTMX-FZMZJTMJSA-N -1 3 319.361 1.999 20 5 DDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000292114334 408983572 /nfs/dbraw/zinc/98/35/72/408983572.db2.gz VYAOYUMXIZPVGR-QMMMGPOBSA-N -1 3 322.770 1.606 20 5 DDBDHM COc1cc(CNCC2([S@@](C)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000282431191 409053040 /nfs/dbraw/zinc/05/30/40/409053040.db2.gz RHSUTEQXDDTVTF-OAQYLSRUSA-N -1 3 314.363 1.310 20 5 DDBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000295293172 409416418 /nfs/dbraw/zinc/41/64/18/409416418.db2.gz NQMYFLKRIHPRTL-CMPLNLGQSA-N -1 3 316.379 1.934 20 5 DDBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000314211352 164013924 /nfs/dbraw/zinc/01/39/24/164013924.db2.gz SROKVQAKCGBOFV-ZDUSSCGKSA-N -1 3 314.363 1.175 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332199799 409970706 /nfs/dbraw/zinc/97/07/06/409970706.db2.gz SGPYOAWLLDPEMI-IONNQARKSA-N -1 3 302.327 1.977 20 5 DDBDHM CCc1cc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])nc(C)n1 ZINC000191637891 222106480 /nfs/dbraw/zinc/10/64/80/222106480.db2.gz FIUVJIZQRCAKIF-UHFFFAOYSA-N -1 3 304.310 1.724 20 5 DDBDHM N[C@H](CC(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423739198 420150069 /nfs/dbraw/zinc/15/00/69/420150069.db2.gz GXPFVIZXHGVKJR-RXMQYKEDSA-N -1 3 309.656 1.875 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000416531640 420409017 /nfs/dbraw/zinc/40/90/17/420409017.db2.gz HARXWPMPVKQZQP-MNOVXSKESA-N -1 3 314.363 1.749 20 5 DDBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000444979769 230148443 /nfs/dbraw/zinc/14/84/43/230148443.db2.gz AYEUQKMBXFCPBD-LLVKDONJSA-N -1 3 306.322 1.004 20 5 DDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](O)Cc2ccccc21 ZINC000447714359 420795528 /nfs/dbraw/zinc/79/55/28/420795528.db2.gz LHZXXSQNMPYTNU-NSHDSACASA-N -1 3 315.285 1.259 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cccc2)c(F)c1 ZINC000487129716 421004518 /nfs/dbraw/zinc/00/45/18/421004518.db2.gz AHMRIBUELBAGEC-UHFFFAOYSA-N -1 3 313.310 1.514 20 5 DDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])no1 ZINC000522308164 421823696 /nfs/dbraw/zinc/82/36/96/421823696.db2.gz JECJLRCDDWBSCZ-UHFFFAOYSA-N -1 3 311.319 1.678 20 5 DDBDHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000573994887 422044815 /nfs/dbraw/zinc/04/48/15/422044815.db2.gz FNFVCSLGOGSRIC-NSHDSACASA-N -1 3 320.349 1.442 20 5 DDBDHM CC1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130404220 281379914 /nfs/dbraw/zinc/37/99/14/281379914.db2.gz HVGGQEUTPUMKHZ-UHFFFAOYSA-N -1 3 307.350 1.762 20 5 DDBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000184260818 295371700 /nfs/dbraw/zinc/37/17/00/295371700.db2.gz BKBPCHYVTKCDOS-UHFFFAOYSA-N -1 3 314.301 1.871 20 5 DDBDHM CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21 ZINC000368597044 301061883 /nfs/dbraw/zinc/06/18/83/301061883.db2.gz WQRWHLLWPDPENK-ZWNOBZJWSA-N -1 3 305.334 1.467 20 5 DDBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)c2ncccc12 ZINC000530352135 307594880 /nfs/dbraw/zinc/59/48/80/307594880.db2.gz NFFQKUZJANNNMR-UHFFFAOYSA-N -1 3 303.303 1.905 20 5 DDBDHM COC(=O)C[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736910557 599063137 /nfs/dbraw/zinc/06/31/37/599063137.db2.gz FVIQMMXVDOXJQK-SSDOTTSWSA-N -1 3 323.334 1.819 20 5 DDBDHM COC(=O)C[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736910557 599063141 /nfs/dbraw/zinc/06/31/41/599063141.db2.gz FVIQMMXVDOXJQK-SSDOTTSWSA-N -1 3 323.334 1.819 20 5 DDBDHM Cc1nn(C)c(C)c1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822492199 607345245 /nfs/dbraw/zinc/34/52/45/607345245.db2.gz VDYHEARJWYQPHC-UHFFFAOYSA-N -1 3 314.309 1.869 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(n2cccn2)C1 ZINC000738358609 598340813 /nfs/dbraw/zinc/34/08/13/598340813.db2.gz NNTXLUMSRRQTAG-UHFFFAOYSA-N -1 3 312.293 1.033 20 5 DDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(n2cccn2)C1 ZINC000738358609 598340815 /nfs/dbraw/zinc/34/08/15/598340815.db2.gz NNTXLUMSRRQTAG-UHFFFAOYSA-N -1 3 312.293 1.033 20 5 DDBDHM CC[C@H](C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736328241 598773934 /nfs/dbraw/zinc/77/39/34/598773934.db2.gz GVTDFNWITURJBL-UFBFGSQYSA-N -1 3 306.326 1.594 20 5 DDBDHM CC[C@H](C)[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736328241 598773936 /nfs/dbraw/zinc/77/39/36/598773936.db2.gz GVTDFNWITURJBL-UFBFGSQYSA-N -1 3 306.326 1.594 20 5 DDBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cnc([N+](=O)[O-])c1 ZINC000821752371 607377406 /nfs/dbraw/zinc/37/74/06/607377406.db2.gz MFHCZOYFBNWZJH-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000833249304 601306808 /nfs/dbraw/zinc/30/68/08/601306808.db2.gz ALZJMEMENIPQQS-UHFFFAOYSA-N -1 3 312.297 1.800 20 5 DDBDHM O=C([O-])N[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000740593945 604432565 /nfs/dbraw/zinc/43/25/65/604432565.db2.gz KKLKYSSKAGZVBY-SNVBAGLBSA-N -1 3 322.321 1.265 20 5 DDBDHM CCOC(=O)[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821315636 606831577 /nfs/dbraw/zinc/83/15/77/606831577.db2.gz VBXHMRNXHDWXAE-QMMMGPOBSA-N -1 3 320.309 1.163 20 5 DDBDHM CCOC(=O)[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821315636 606831579 /nfs/dbraw/zinc/83/15/79/606831579.db2.gz VBXHMRNXHDWXAE-QMMMGPOBSA-N -1 3 320.309 1.163 20 5 DDBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OC1CCOCC1 ZINC000772724064 697668317 /nfs/dbraw/zinc/66/83/17/697668317.db2.gz ZXFVIHGDENXEHV-UHFFFAOYSA-N -1 3 319.317 1.845 20 5 DDBDHM Cc1nn(C)c(C(=O)[N-]c2cccc3nonc32)c1[N+](=O)[O-] ZINC000773378432 697752469 /nfs/dbraw/zinc/75/24/69/697752469.db2.gz SOIOBEFUEKOHSU-UHFFFAOYSA-N -1 3 302.250 1.425 20 5 DDBDHM CCc1ccccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000777641911 698211119 /nfs/dbraw/zinc/21/11/19/698211119.db2.gz YJZPXWYKYPBDDR-UHFFFAOYSA-N -1 3 322.346 1.858 20 5 DDBDHM CC(C)(O)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000791263246 699618371 /nfs/dbraw/zinc/61/83/71/699618371.db2.gz UPHRYVIMSNCZOI-UHFFFAOYSA-N -1 3 302.714 1.609 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2ccc[n+]([O-])c2)cc([N+](=O)[O-])c1 ZINC000736194377 699720192 /nfs/dbraw/zinc/72/01/92/699720192.db2.gz AZLGMJNEIZXUPV-UHFFFAOYSA-N -1 3 317.257 1.267 20 5 DDBDHM COc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000759168764 700739899 /nfs/dbraw/zinc/73/98/99/700739899.db2.gz RQWHCLIJMVOHMS-UHFFFAOYSA-N -1 3 324.318 1.304 20 5 DDBDHM O=C([O-])Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000844209214 702992185 /nfs/dbraw/zinc/99/21/85/702992185.db2.gz ILAXYPZXJGFOHQ-CYBMUJFWSA-N -1 3 317.345 1.672 20 5 DDBDHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000874832538 705189947 /nfs/dbraw/zinc/18/99/47/705189947.db2.gz FRVHXGASGRUOIA-STQMWFEESA-N -1 3 305.334 1.609 20 5 DDBDHM Cc1nn(CCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826334968 705792237 /nfs/dbraw/zinc/79/22/37/705792237.db2.gz RKUZDVQUSMJREH-UHFFFAOYSA-N -1 3 315.293 1.359 20 5 DDBDHM Cc1nn(CCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826334968 705792240 /nfs/dbraw/zinc/79/22/40/705792240.db2.gz RKUZDVQUSMJREH-UHFFFAOYSA-N -1 3 315.293 1.359 20 5 DDBDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000828054168 706110562 /nfs/dbraw/zinc/11/05/62/706110562.db2.gz JDISBVVPQWIPIL-SECBINFHSA-N -1 3 305.294 1.228 20 5 DDBDHM C/C=C(\C)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107104478 749041023 /nfs/dbraw/zinc/04/10/23/749041023.db2.gz YCHYIEKQVNOBBF-RUQOPNIZSA-N -1 3 306.322 1.746 20 5 DDBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(CF)CC1 ZINC001107518273 750080540 /nfs/dbraw/zinc/08/05/40/750080540.db2.gz FVORIDCHQQVJFK-UPHRSURJSA-N -1 3 324.312 1.529 20 5 DDBDHM O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1)c1cn[n-]n1 ZINC001107584929 750189713 /nfs/dbraw/zinc/18/97/13/750189713.db2.gz NVLIHLUMWYPHKZ-UPHRSURJSA-N -1 3 302.294 1.111 20 5 DDBDHM COc1cc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001116779774 753806132 /nfs/dbraw/zinc/80/61/32/753806132.db2.gz QAAROEDAXDEUOI-SNVBAGLBSA-N -1 3 312.322 1.755 20 5 DDBDHM O=c1[n-]nc(C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)o1 ZINC001170243224 766194070 /nfs/dbraw/zinc/19/40/70/766194070.db2.gz CLCQEJODMJWICM-UHFFFAOYSA-N -1 3 305.294 1.458 20 5 DDBDHM CCc1nocc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094106799 775483483 /nfs/dbraw/zinc/48/34/83/775483483.db2.gz RJHHYWDEXMGNOV-UHFFFAOYSA-N -1 3 321.293 1.088 20 5 DDBDHM CCCOCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094352886 775764724 /nfs/dbraw/zinc/76/47/24/775764724.db2.gz CQKXWYCOSDVWPB-UHFFFAOYSA-N -1 3 312.326 1.040 20 5 DDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccccn1 ZINC001101474503 777159000 /nfs/dbraw/zinc/15/90/00/777159000.db2.gz BOLKROJSFGWVDB-UHFFFAOYSA-N -1 3 317.305 1.275 20 5 DDBDHM C[C@@H](Nc1nn(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001164225473 869037359 /nfs/dbraw/zinc/03/73/59/869037359.db2.gz HLAORLDFVGDFAP-SCSAIBSYSA-N -1 3 305.220 1.638 20 5 DDBDHM O=[N+]([O-])C[C@@H](Oc1ccnc(=S)[n-]1)c1ccc2c(c1)OCO2 ZINC001226942558 882735491 /nfs/dbraw/zinc/73/54/91/882735491.db2.gz MRLMCWFRFNIMBQ-LLVKDONJSA-N -1 3 321.314 1.891 20 5 DDBDHM Cc1cc(=O)[n-]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001300200671 877135311 /nfs/dbraw/zinc/13/53/11/877135311.db2.gz AQLUJOMUOWSISO-UHFFFAOYSA-N -1 3 302.290 1.258 20 5 DDBDHM COC(=O)[C@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692524 883136044 /nfs/dbraw/zinc/13/60/44/883136044.db2.gz ZJKYIQSXRWAHLW-DTWKUNHWSA-N -1 3 320.305 1.977 20 5 DDBDHM CC[C@H](O)C(=O)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877540 888234911 /nfs/dbraw/zinc/23/49/11/888234911.db2.gz NTKFAKBBWYOHQH-ZETCQYMHSA-N -1 3 320.095 1.739 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000278702657 214338732 /nfs/dbraw/zinc/33/87/32/214338732.db2.gz QHLUFTAWABKLQR-UHFFFAOYSA-N -1 3 314.301 1.597 20 5 DDBDHM COc1cc([C@@H]2NC(=O)[C@@H]3C[C@H](C)CCN23)c([N+](=O)[O-])cc1[O-] ZINC000249485326 282159656 /nfs/dbraw/zinc/15/96/56/282159656.db2.gz WVJBIDHSKUORSC-FDLBOYPASA-N -1 3 321.333 1.538 20 5 DDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)F ZINC000451085501 529646091 /nfs/dbraw/zinc/64/60/91/529646091.db2.gz SIZSTUCLILPFQH-QMMMGPOBSA-N -1 3 324.305 1.925 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000279776473 215136533 /nfs/dbraw/zinc/13/65/33/215136533.db2.gz NJJUSLGSIILJLN-JTQLQIEISA-N -1 3 316.404 1.935 20 5 DDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)c(F)c2)n1 ZINC000355639577 290957816 /nfs/dbraw/zinc/95/78/16/290957816.db2.gz PCBHPRRBEZNVPO-UHFFFAOYSA-N -1 3 300.196 1.998 20 5 DDBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000074972464 353341419 /nfs/dbraw/zinc/34/14/19/353341419.db2.gz WFKSNWKOOXGNAP-LLVKDONJSA-N -1 3 320.342 1.683 20 5 DDBDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000119423369 354005274 /nfs/dbraw/zinc/00/52/74/354005274.db2.gz TXPKOPSLSKADLJ-JQWIXIFHSA-N -1 3 316.379 1.589 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cncn1C ZINC000290324664 354442935 /nfs/dbraw/zinc/44/29/35/354442935.db2.gz ZVTPWRROVXNKDT-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000332441688 234967764 /nfs/dbraw/zinc/96/77/64/234967764.db2.gz DVVZNRWDQFJNJO-UHFFFAOYSA-N -1 3 318.326 1.236 20 5 DDBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593605449 355940399 /nfs/dbraw/zinc/94/03/99/355940399.db2.gz SSGBFZGUQKIGOS-UHFFFAOYSA-N -1 3 317.367 1.065 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000594802016 356321883 /nfs/dbraw/zinc/32/18/83/356321883.db2.gz HBPGLVYHKFPUBC-UFBFGSQYSA-N -1 3 300.311 1.955 20 5 DDBDHM O=C([O-])[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]12 ZINC000594733631 356300780 /nfs/dbraw/zinc/30/07/80/356300780.db2.gz ACQGEYVJFDYRJB-YNEHKIRRSA-N -1 3 322.365 1.757 20 5 DDBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595885089 356691050 /nfs/dbraw/zinc/69/10/50/356691050.db2.gz MWBQXPOYXCDVSI-FIXISWKDSA-N -1 3 306.318 1.689 20 5 DDBDHM CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596070147 356761031 /nfs/dbraw/zinc/76/10/31/356761031.db2.gz OGNXKTOXPVPHGO-ZDUSSCGKSA-N -1 3 323.397 1.379 20 5 DDBDHM Cn1[n-]c([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2F)nc1=N ZINC000596253113 356833842 /nfs/dbraw/zinc/83/38/42/356833842.db2.gz WPCACCPDRUEGKL-VIFPVBQESA-N -1 3 307.289 1.011 20 5 DDBDHM O=c1[n-]ccc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596211980 356816070 /nfs/dbraw/zinc/81/60/70/356816070.db2.gz ZYCGCXMIVLXSPK-XCBNKYQSSA-N -1 3 321.255 1.835 20 5 DDBDHM O=c1[n-]ccc(N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000596230972 356825290 /nfs/dbraw/zinc/82/52/90/356825290.db2.gz MJHGJVSDXFIDGG-YUMQZZPRSA-N -1 3 321.255 1.693 20 5 DDBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000596249026 356831880 /nfs/dbraw/zinc/83/18/80/356831880.db2.gz OZOCCDHCTXSEJV-QJPTWQEYSA-N -1 3 319.321 1.723 20 5 DDBDHM CNc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1[N+](=O)[O-] ZINC000597664861 357274497 /nfs/dbraw/zinc/27/44/97/357274497.db2.gz NJXFTQYVKPEKES-UHFFFAOYSA-N -1 3 319.321 1.022 20 5 DDBDHM CCn1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC000347906905 283296677 /nfs/dbraw/zinc/29/66/77/283296677.db2.gz GIHIIORPCVCBIS-UHFFFAOYSA-N -1 3 324.362 1.598 20 5 DDBDHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610739755 360522777 /nfs/dbraw/zinc/52/27/77/360522777.db2.gz OMSNMDFZTYBTSP-GHMZBOCLSA-N -1 3 314.363 1.688 20 5 DDBDHM O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891568 360565611 /nfs/dbraw/zinc/56/56/11/360565611.db2.gz WEUWXUQQASLKHB-LBPRGKRZSA-N -1 3 305.334 1.515 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000619500285 364040218 /nfs/dbraw/zinc/04/02/18/364040218.db2.gz HISMLXSWRHXVOV-GDGBQDQQSA-N -1 3 312.347 1.680 20 5 DDBDHM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)N2CCC2)c1 ZINC000350005922 284131386 /nfs/dbraw/zinc/13/13/86/284131386.db2.gz NDEVRQWFAKMUQQ-UHFFFAOYSA-N -1 3 323.277 1.559 20 5 DDBDHM COCC1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566684481 304176321 /nfs/dbraw/zinc/17/63/21/304176321.db2.gz SBXMSDOSKDJWTA-UHFFFAOYSA-N -1 3 308.334 1.908 20 5 DDBDHM CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C1 ZINC000285348983 218392003 /nfs/dbraw/zinc/39/20/03/218392003.db2.gz WWYREDMGFVOXAW-RYUDHWBXSA-N -1 3 323.349 1.092 20 5 DDBDHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000294378855 224000294 /nfs/dbraw/zinc/00/02/94/224000294.db2.gz BJGJNLBNSDKIAM-GWCFXTLKSA-N -1 3 314.363 1.424 20 5 DDBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352331524 284969430 /nfs/dbraw/zinc/96/94/30/284969430.db2.gz QWKWHULUXWUQGV-XCBNKYQSSA-N -1 3 320.367 1.764 20 5 DDBDHM Cc1cncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000120943928 195268862 /nfs/dbraw/zinc/26/88/62/195268862.db2.gz ARNNSLJKVKSABW-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C)c1C ZINC000121597486 195313200 /nfs/dbraw/zinc/31/32/00/195313200.db2.gz GQDORRQYPBITAL-GHMZBOCLSA-N -1 3 314.363 1.667 20 5 DDBDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352904775 285376782 /nfs/dbraw/zinc/37/67/82/285376782.db2.gz URWVKUVKRYDCMZ-NSHDSACASA-N -1 3 321.358 1.899 20 5 DDBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048907704 407109633 /nfs/dbraw/zinc/10/96/33/407109633.db2.gz ZESNOVVKERVJHV-QMMMGPOBSA-N -1 3 319.770 1.231 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c(Cl)c1 ZINC000048979239 407111487 /nfs/dbraw/zinc/11/14/87/407111487.db2.gz IRZCRDSCJVZDPX-QMMMGPOBSA-N -1 3 320.754 1.563 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O ZINC000089166185 407125829 /nfs/dbraw/zinc/12/58/29/407125829.db2.gz IWAPHLWYKHVQOH-ZYHUDNBSSA-N -1 3 314.363 1.343 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000101577441 407311913 /nfs/dbraw/zinc/31/19/13/407311913.db2.gz KMODBSAUHGMVIG-QMMMGPOBSA-N -1 3 322.770 1.952 20 5 DDBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)C)cc1[N+](=O)[O-] ZINC000186174914 407596454 /nfs/dbraw/zinc/59/64/54/407596454.db2.gz HIVNIFQWFMPJMY-UHFFFAOYSA-N -1 3 306.315 1.819 20 5 DDBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271311033 407630142 /nfs/dbraw/zinc/63/01/42/407630142.db2.gz YXGWWGHBCUUVNV-MNOVXSKESA-N -1 3 314.363 1.688 20 5 DDBDHM COC(=O)c1cc(C)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000138603177 408165989 /nfs/dbraw/zinc/16/59/89/408165989.db2.gz LOKFUZWKIJWITC-UHFFFAOYSA-N -1 3 324.318 1.737 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)c1C ZINC000121597621 408238800 /nfs/dbraw/zinc/23/88/00/408238800.db2.gz GQDORRQYPBITAL-MNOVXSKESA-N -1 3 314.363 1.667 20 5 DDBDHM Cn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000157195938 408292362 /nfs/dbraw/zinc/29/23/62/408292362.db2.gz DXJJLLFNXFTHHW-UHFFFAOYSA-N -1 3 313.220 1.577 20 5 DDBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000164493498 162151472 /nfs/dbraw/zinc/15/14/72/162151472.db2.gz KYPXNORFMLEQAM-GFCCVEGCSA-N -1 3 305.334 1.611 20 5 DDBDHM COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185216466 408781588 /nfs/dbraw/zinc/78/15/88/408781588.db2.gz KZDOYIMKOBVUCI-GFCCVEGCSA-N -1 3 323.349 1.141 20 5 DDBDHM CCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000226724680 163336819 /nfs/dbraw/zinc/33/68/19/163336819.db2.gz KNACCKDHNBPLHI-UHFFFAOYSA-N -1 3 311.298 1.982 20 5 DDBDHM COc1cc(CNCC2([S@](C)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000282431187 409052412 /nfs/dbraw/zinc/05/24/12/409052412.db2.gz RHSUTEQXDDTVTF-NRFANRHFSA-N -1 3 314.363 1.310 20 5 DDBDHM CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)C1 ZINC000294093652 409239368 /nfs/dbraw/zinc/23/93/68/409239368.db2.gz KJFJACQWRZEKBD-MRXNPFEDSA-N -1 3 319.361 1.858 20 5 DDBDHM CCC1([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000295177259 409360075 /nfs/dbraw/zinc/36/00/75/409360075.db2.gz BHSVITVEPLTXGX-UHFFFAOYSA-N -1 3 318.326 1.963 20 5 DDBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H](O)CC ZINC000313082053 409797885 /nfs/dbraw/zinc/79/78/85/409797885.db2.gz JWEQPQGRVDAHCS-PWSUYJOCSA-N -1 3 316.379 1.731 20 5 DDBDHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000313082054 409799683 /nfs/dbraw/zinc/79/96/83/409799683.db2.gz JWEQPQGRVDAHCS-ZYHUDNBSSA-N -1 3 316.379 1.731 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000298521237 410268367 /nfs/dbraw/zinc/26/83/67/410268367.db2.gz UTRQLSUJHDHIRH-GMSGAONNSA-N -1 3 314.244 1.507 20 5 DDBDHM COc1ncnc(OC)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000358620931 410498019 /nfs/dbraw/zinc/49/80/19/410498019.db2.gz QNQVFNFWUVTIRZ-UHFFFAOYSA-N -1 3 304.262 1.654 20 5 DDBDHM COc1cc(C(=O)[N-]OC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000297345048 227040130 /nfs/dbraw/zinc/04/01/30/227040130.db2.gz XVLHZUMALBHUOX-UHFFFAOYSA-N -1 3 314.294 1.044 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCO)c(F)c1 ZINC000229156479 418565224 /nfs/dbraw/zinc/56/52/24/418565224.db2.gz BOIUQLDUTWDCQY-UHFFFAOYSA-N -1 3 306.315 1.175 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccnn2)cc1C ZINC000443938610 230037744 /nfs/dbraw/zinc/03/77/44/230037744.db2.gz WMZIZAFSXFJGRK-UHFFFAOYSA-N -1 3 322.346 1.480 20 5 DDBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000416526797 420407622 /nfs/dbraw/zinc/40/76/22/420407622.db2.gz BOJQUPUMUMYYMA-SCZZXKLOSA-N -1 3 318.326 1.580 20 5 DDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000525941852 421313668 /nfs/dbraw/zinc/31/36/68/421313668.db2.gz LXQDNPPYFARQDP-UHFFFAOYSA-N -1 3 311.301 1.839 20 5 DDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000525941852 421313670 /nfs/dbraw/zinc/31/36/70/421313670.db2.gz LXQDNPPYFARQDP-UHFFFAOYSA-N -1 3 311.301 1.839 20 5 DDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2n[n-]nc21 ZINC000525941852 421313673 /nfs/dbraw/zinc/31/36/73/421313673.db2.gz LXQDNPPYFARQDP-UHFFFAOYSA-N -1 3 311.301 1.839 20 5 DDBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000550075071 421512305 /nfs/dbraw/zinc/51/23/05/421512305.db2.gz MAXOASVADDTOND-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000550075071 421512308 /nfs/dbraw/zinc/51/23/08/421512308.db2.gz MAXOASVADDTOND-UHFFFAOYSA-N -1 3 304.262 1.665 20 5 DDBDHM CN1CCC[C@]2(CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000563959955 421561542 /nfs/dbraw/zinc/56/15/42/421561542.db2.gz MJXTUXQRANZDEE-HNNXBMFYSA-N -1 3 320.349 1.610 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000580886419 421857142 /nfs/dbraw/zinc/85/71/42/421857142.db2.gz BBRFMESBISFSDY-NSHDSACASA-N -1 3 318.333 1.453 20 5 DDBDHM O=C(Nc1cccc2c1CNC2=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000345495236 272264990 /nfs/dbraw/zinc/26/49/90/272264990.db2.gz KILYSHCNIVLZHP-UHFFFAOYSA-N -1 3 314.257 1.191 20 5 DDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H](C)O)cc1C ZINC000085990963 281015238 /nfs/dbraw/zinc/01/52/38/281015238.db2.gz DCTDZLNDDUFIBX-SNVBAGLBSA-N -1 3 302.352 1.261 20 5 DDBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](N2CCCC2)C1 ZINC000130475127 304553719 /nfs/dbraw/zinc/55/37/19/304553719.db2.gz QUWAMJZKKBIFOD-NSHDSACASA-N -1 3 305.334 1.611 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2cnccn2)c(C)c([N+](=O)[O-])c1 ZINC000362637937 300108941 /nfs/dbraw/zinc/10/89/41/300108941.db2.gz RCMJNDQKWBRAOC-UHFFFAOYSA-N -1 3 316.273 1.732 20 5 DDBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000268157665 300235729 /nfs/dbraw/zinc/23/57/29/300235729.db2.gz HKCYPDYMQWWXHZ-JOYOIKCWSA-N -1 3 305.334 1.513 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000052005507 302048520 /nfs/dbraw/zinc/04/85/20/302048520.db2.gz UGRVZWANXSQKPQ-ZYHUDNBSSA-N -1 3 314.363 1.485 20 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/nfs/dbraw/zinc/30/48/02/607304802.db2.gz KWSOOINLVCNKJK-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(=O)n1Cc1ccccc1-c1nn[n-]n1 ZINC000822271058 607304803 /nfs/dbraw/zinc/30/48/03/607304803.db2.gz KWSOOINLVCNKJK-UHFFFAOYSA-N -1 3 312.289 1.293 20 5 DDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCO1 ZINC000736294013 598457756 /nfs/dbraw/zinc/45/77/56/598457756.db2.gz QGHFPQLRWFHVKW-VIFPVBQESA-N -1 3 304.310 1.390 20 5 DDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCO1 ZINC000736294013 598457757 /nfs/dbraw/zinc/45/77/57/598457757.db2.gz QGHFPQLRWFHVKW-VIFPVBQESA-N -1 3 304.310 1.390 20 5 DDBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736405291 598677794 /nfs/dbraw/zinc/67/77/94/598677794.db2.gz FWSMMAJBHXBZBI-ONGXEEELSA-N -1 3 318.337 1.779 20 5 DDBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736405291 598677796 /nfs/dbraw/zinc/67/77/96/598677796.db2.gz FWSMMAJBHXBZBI-ONGXEEELSA-N -1 3 318.337 1.779 20 5 DDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC000738151671 598805578 /nfs/dbraw/zinc/80/55/78/598805578.db2.gz SIGLOWLCHDNVRF-UHFFFAOYSA-N -1 3 311.261 1.422 20 5 DDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1[N+](=O)[O-] ZINC000738151671 598805579 /nfs/dbraw/zinc/80/55/79/598805579.db2.gz SIGLOWLCHDNVRF-UHFFFAOYSA-N -1 3 311.261 1.422 20 5 DDBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000821752347 607379194 /nfs/dbraw/zinc/37/91/94/607379194.db2.gz LGKDIPRWKDVMBF-UHFFFAOYSA-N -1 3 315.293 1.337 20 5 DDBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000821752347 607379196 /nfs/dbraw/zinc/37/91/96/607379196.db2.gz LGKDIPRWKDVMBF-UHFFFAOYSA-N -1 3 315.293 1.337 20 5 DDBDHM C[C@@H]1CSCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736295931 599534932 /nfs/dbraw/zinc/53/49/32/599534932.db2.gz CDUDUOLMVPVEKW-MRVPVSSYSA-N -1 3 306.351 1.717 20 5 DDBDHM C[C@@H]1CSCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736295931 599534935 /nfs/dbraw/zinc/53/49/35/599534935.db2.gz CDUDUOLMVPVEKW-MRVPVSSYSA-N -1 3 306.351 1.717 20 5 DDBDHM CCOC(=O)[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821315305 606831639 /nfs/dbraw/zinc/83/16/39/606831639.db2.gz RUIPWLURVHSAIU-MRVPVSSYSA-N -1 3 320.309 1.163 20 5 DDBDHM CCOC(=O)[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821315305 606831641 /nfs/dbraw/zinc/83/16/41/606831641.db2.gz RUIPWLURVHSAIU-MRVPVSSYSA-N -1 3 320.309 1.163 20 5 DDBDHM CN(CC1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825914751 608439958 /nfs/dbraw/zinc/43/99/58/608439958.db2.gz MVIDLFQGIHGJNF-UHFFFAOYSA-N -1 3 319.325 1.033 20 5 DDBDHM CN(CC1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825914751 608439960 /nfs/dbraw/zinc/43/99/60/608439960.db2.gz MVIDLFQGIHGJNF-UHFFFAOYSA-N -1 3 319.325 1.033 20 5 DDBDHM Cc1nn(CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826335088 609499599 /nfs/dbraw/zinc/49/95/99/609499599.db2.gz XVGMIRMNPNRRIL-UHFFFAOYSA-N -1 3 315.293 1.359 20 5 DDBDHM CCOC(=O)[C@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778008101 698237308 /nfs/dbraw/zinc/23/73/08/698237308.db2.gz BIOQUEAESSWEES-QMMMGPOBSA-N -1 3 316.260 1.754 20 5 DDBDHM CC(C)(O)CO[N-]C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000788220345 699292292 /nfs/dbraw/zinc/29/22/92/699292292.db2.gz VRHZQFVDHUWIQA-UHFFFAOYSA-N -1 3 321.289 1.281 20 5 DDBDHM O=C(COC(=O)c1cncc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000732393923 699558909 /nfs/dbraw/zinc/55/89/09/699558909.db2.gz DTNSLOXQSSCFME-UHFFFAOYSA-N -1 3 302.242 1.735 20 5 DDBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768862661 701211733 /nfs/dbraw/zinc/21/17/33/701211733.db2.gz XIZAKLKYUKNULV-UHFFFAOYSA-N -1 3 315.332 1.866 20 5 DDBDHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000882702972 707753607 /nfs/dbraw/zinc/75/36/07/707753607.db2.gz OWDDAXJDHYTUJI-DTORHVGOSA-N -1 3 320.392 1.668 20 5 DDBDHM C[C@@]1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(F)F ZINC000849459982 703650836 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315.351 1.082 20 5 DDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595279569 356431383 /nfs/dbraw/zinc/43/13/83/356431383.db2.gz RRMWSZUQEKVXDK-DGCLKSJQSA-N -1 3 306.318 1.761 20 5 DDBDHM Cc1nc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)ccc1[N+](=O)[O-] ZINC000596252426 356833121 /nfs/dbraw/zinc/83/31/21/356833121.db2.gz LGTVDQIUQCUGQD-JTQLQIEISA-N -1 3 303.326 1.181 20 5 DDBDHM CC(C)(C)N1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596519358 356904949 /nfs/dbraw/zinc/90/49/49/356904949.db2.gz ITNWTXNUASQJFS-VIFPVBQESA-N -1 3 308.338 1.754 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000276769086 213097269 /nfs/dbraw/zinc/09/72/69/213097269.db2.gz GXWSETRYMPXWRU-VIFPVBQESA-N -1 3 316.379 1.508 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000599364150 357910163 /nfs/dbraw/zinc/91/01/63/357910163.db2.gz HSDHWVAZNIXKSF-LLVKDONJSA-N -1 3 314.363 1.690 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC2)c(F)cc1[N+](=O)[O-] ZINC000601375157 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323.321 1.030 20 5 DDBDHM Cc1cc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000187196524 200075746 /nfs/dbraw/zinc/07/57/46/200075746.db2.gz IZJSFWKEOVWLIT-SSDOTTSWSA-N -1 3 305.294 1.088 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]Cc2cocn2)c([N+](=O)[O-])c1 ZINC000609353668 360301358 /nfs/dbraw/zinc/30/13/58/360301358.db2.gz ZGFABUIOOKDCNB-UHFFFAOYSA-N -1 3 313.291 1.070 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000619488488 364033244 /nfs/dbraw/zinc/03/32/44/364033244.db2.gz FWWUPGXHNBLPHP-UHFFFAOYSA-N -1 3 311.319 1.410 20 5 DDBDHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774436 284047817 /nfs/dbraw/zinc/04/78/17/284047817.db2.gz HXZPEWUNFFGMDS-VIFPVBQESA-N -1 3 321.424 1.663 20 5 DDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000352498261 285092422 /nfs/dbraw/zinc/09/24/22/285092422.db2.gz AMAQRPQUAXTMJD-UHFFFAOYSA-N -1 3 317.301 1.781 20 5 DDBDHM COc1ccc(C(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000352508480 285100037 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CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000569038138 304331960 /nfs/dbraw/zinc/33/19/60/304331960.db2.gz FARXHWGUSVPWEI-UHFFFAOYSA-N -1 3 324.362 1.851 20 5 DDBDHM Cc1nn(C)cc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014249293 406873804 /nfs/dbraw/zinc/87/38/04/406873804.db2.gz ZJVSSCNJXUPPOM-UHFFFAOYSA-N -1 3 310.335 1.115 20 5 DDBDHM CCn1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000014239162 406874109 /nfs/dbraw/zinc/87/41/09/406874109.db2.gz BWOLLBXALIVDCA-UHFFFAOYSA-N -1 3 310.335 1.290 20 5 DDBDHM C[C@@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000086630018 407113831 /nfs/dbraw/zinc/11/38/31/407113831.db2.gz PKUMJYFWYPJLCU-SSDOTTSWSA-N -1 3 308.743 1.155 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000124912097 407373171 /nfs/dbraw/zinc/37/31/71/407373171.db2.gz VWTBQCOPGVDCBU-UHFFFAOYSA-N -1 3 301.349 1.771 20 5 DDBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000125704320 407395858 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CN(CCc1cccc([N+](=O)[O-])c1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000337821470 411018872 /nfs/dbraw/zinc/01/88/72/411018872.db2.gz QZKLQCUKZUTGCP-UHFFFAOYSA-N -1 3 313.321 1.304 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H]3CCN(C)C[C@H]32)n1 ZINC000580452352 422934804 /nfs/dbraw/zinc/93/48/04/422934804.db2.gz YZTNFMCGAHHUCD-CMPLNLGQSA-N -1 3 320.349 1.527 20 5 DDBDHM Cc1cc(C(=O)N2CC3(C2)CCCOC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366463610 418477793 /nfs/dbraw/zinc/47/77/93/418477793.db2.gz RSHOKZFLIPNSTL-UHFFFAOYSA-N -1 3 307.306 1.256 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CN(C)C)c1C ZINC000286709135 418573765 /nfs/dbraw/zinc/57/37/65/418573765.db2.gz MQNGNRKTJZTXHR-JTQLQIEISA-N -1 3 315.395 1.440 20 5 DDBDHM CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436705814 420358563 /nfs/dbraw/zinc/35/85/63/420358563.db2.gz OKETYCNEOCYQHL-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM COC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1O ZINC000436801545 420368621 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COCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130478733 281382588 /nfs/dbraw/zinc/38/25/88/281382588.db2.gz YPAYTRSZLYSJIA-NSHDSACASA-N -1 3 323.349 1.141 20 5 DDBDHM CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000179531087 290317239 /nfs/dbraw/zinc/31/72/39/290317239.db2.gz UHFXKHWGFRIQGS-CMPLNLGQSA-N -1 3 305.334 1.609 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000451947352 297285579 /nfs/dbraw/zinc/28/55/79/297285579.db2.gz PGMUZUJDMBEFFU-NXEZZACHSA-N -1 3 322.346 1.776 20 5 DDBDHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000277954278 300352650 /nfs/dbraw/zinc/35/26/50/300352650.db2.gz RPUBOMXZHGKINZ-UWVGGRQHSA-N -1 3 300.336 1.298 20 5 DDBDHM Cc1cc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375101985 301894778 /nfs/dbraw/zinc/89/47/78/301894778.db2.gz SIQBXJFPVCFCSY-PWSUYJOCSA-N -1 3 321.333 1.691 20 5 DDBDHM CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000569868471 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CC(C)n1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000735959744 598500312 /nfs/dbraw/zinc/50/03/12/598500312.db2.gz BIMATTAZMVCRRN-UHFFFAOYSA-N -1 3 315.297 1.691 20 5 DDBDHM CC(C)OC(=O)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820142522 599586894 /nfs/dbraw/zinc/58/68/94/599586894.db2.gz OMPFMLJHDIOMPH-UHFFFAOYSA-N -1 3 323.334 1.819 20 5 DDBDHM CC(C)OC(=O)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820142522 599586896 /nfs/dbraw/zinc/58/68/96/599586896.db2.gz OMPFMLJHDIOMPH-UHFFFAOYSA-N -1 3 323.334 1.819 20 5 DDBDHM CO[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821677283 599686523 /nfs/dbraw/zinc/68/65/23/599686523.db2.gz STIJTLZSBYAOCK-GFCCVEGCSA-N -1 3 306.326 1.858 20 5 DDBDHM Cc1nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016959 601813555 /nfs/dbraw/zinc/81/35/55/601813555.db2.gz OZZXIMKVNLJLRP-UFBFGSQYSA-N -1 3 319.321 1.258 20 5 DDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826442792 607709149 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DDBDHM CCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087047709 696566804 /nfs/dbraw/zinc/56/68/04/696566804.db2.gz GMWCGLBABQZECI-UHFFFAOYSA-N -1 3 303.112 1.968 20 5 DDBDHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000874829594 705188318 /nfs/dbraw/zinc/18/83/18/705188318.db2.gz MPNFDKCGXGVBQX-KBPBESRZSA-N -1 3 305.334 1.609 20 5 DDBDHM O=[N+]([O-])c1cnc(NCC2(CCO)CCC2)c(-c2nnn[n-]2)c1 ZINC000823652210 705288531 /nfs/dbraw/zinc/28/85/31/705288531.db2.gz WTTLTIWXIAFDBF-UHFFFAOYSA-N -1 3 319.325 1.135 20 5 DDBDHM O=[N+]([O-])c1cnc(NCC2(CCO)CCC2)c(-c2nn[n-]n2)c1 ZINC000823652210 705288535 /nfs/dbraw/zinc/28/85/35/705288535.db2.gz WTTLTIWXIAFDBF-UHFFFAOYSA-N -1 3 319.325 1.135 20 5 DDBDHM C[C@@H]1COC[C@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000902965264 710977399 /nfs/dbraw/zinc/97/73/99/710977399.db2.gz RDDNGZVGCBWXOE-LDYMZIIASA-N -1 3 316.260 1.718 20 5 DDBDHM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000921494474 713787780 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1.206 20 5 DDBDHM CN(CCCNC(=O)C1(C)CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095699297 750152893 /nfs/dbraw/zinc/15/28/93/750152893.db2.gz KOIZYZAPBMXZFI-UHFFFAOYSA-N -1 3 322.365 1.828 20 5 DDBDHM COC(=O)c1cc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])on1 ZINC001129122943 751297652 /nfs/dbraw/zinc/29/76/52/751297652.db2.gz UMGJNXYGNMLHOX-UHFFFAOYSA-N -1 3 321.245 1.630 20 5 DDBDHM CCC(C)(C)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055993831 760891381 /nfs/dbraw/zinc/89/13/81/760891381.db2.gz RBKJXLGXGBWLQY-UHFFFAOYSA-N -1 3 322.365 1.780 20 5 DDBDHM C/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110102811 767528054 /nfs/dbraw/zinc/52/80/54/767528054.db2.gz SCXIONSHDUVFOE-YCRREMRBSA-N -1 3 306.322 1.722 20 5 DDBDHM C/C(=C\C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001093493785 774715345 /nfs/dbraw/zinc/71/53/45/774715345.db2.gz QQYZFQFPOQDPHM-CMDGGOBGSA-N -1 3 306.322 1.580 20 5 DDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC(F)(F)C1 ZINC001093551079 774830772 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DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)nc1 ZINC000593608665 355940682 /nfs/dbraw/zinc/94/06/82/355940682.db2.gz OKXSZBIIOIAJAG-NXEZZACHSA-N -1 3 309.303 1.417 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)nc1 ZINC000593576049 355931901 /nfs/dbraw/zinc/93/19/01/355931901.db2.gz NUDNCSVHEMLSHM-LLVKDONJSA-N -1 3 315.351 1.227 20 5 DDBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC ZINC000593603288 355939454 /nfs/dbraw/zinc/93/94/54/355939454.db2.gz KSPPLNWPFBIRAV-GXSJLCMTSA-N -1 3 317.367 1.329 20 5 DDBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593612878 355942652 /nfs/dbraw/zinc/94/26/52/355942652.db2.gz IHQINNTZIIKERF-APPZFPTMSA-N -1 3 303.365 1.162 20 5 DDBDHM CCC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000594423626 356206169 /nfs/dbraw/zinc/20/61/69/356206169.db2.gz XMRRHLHZBWYDLX-UHFFFAOYSA-N -1 3 322.365 1.642 20 5 DDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601333923 358502715 /nfs/dbraw/zinc/50/27/15/358502715.db2.gz VUZAMKVYQKBSRK-SSDOTTSWSA-N -1 3 308.381 1.668 20 5 DDBDHM C[C@H]1CN(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596071071 356761861 /nfs/dbraw/zinc/76/18/61/356761861.db2.gz XIBSXZWNBDKMDX-QWRGUYRKSA-N -1 3 310.354 1.607 20 5 DDBDHM CN(C(=O)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596151101 356791629 /nfs/dbraw/zinc/79/16/29/356791629.db2.gz NJHGIUJMJITRQJ-UHFFFAOYSA-N -1 3 308.338 1.898 20 5 DDBDHM CCO[C@@H]1C[C@@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596206197 356814098 /nfs/dbraw/zinc/81/40/98/356814098.db2.gz ILYJADJJIYCXFG-QMTHXVAHSA-N -1 3 311.338 1.673 20 5 DDBDHM O=c1[n-]ccc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1[N+](=O)[O-] ZINC000596225340 356822408 /nfs/dbraw/zinc/82/24/08/356822408.db2.gz BHLAPNAKDCFFMN-MFKMUULPSA-N -1 3 323.349 1.675 20 5 DDBDHM CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597858170 357361420 /nfs/dbraw/zinc/36/14/20/357361420.db2.gz LHUIDJVTXPHMLM-LLVKDONJSA-N -1 3 307.350 1.903 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601498705 358576138 /nfs/dbraw/zinc/57/61/38/358576138.db2.gz CMWYCOKRVYYYSV-CKYFFXLPSA-N -1 3 314.363 1.580 20 5 DDBDHM CC[C@@H](CN1CCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612544070 361060152 /nfs/dbraw/zinc/06/01/52/361060152.db2.gz CNUSENRFLFTONU-LBPRGKRZSA-N -1 3 307.350 1.905 20 5 DDBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000349984670 284127021 /nfs/dbraw/zinc/12/70/21/284127021.db2.gz OESRUVZKLDKICQ-DTWKUNHWSA-N -1 3 320.392 1.811 20 5 DDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000266230826 205201262 /nfs/dbraw/zinc/20/12/62/205201262.db2.gz UOUZAJSRLNFIFA-VIFPVBQESA-N -1 3 310.335 1.368 20 5 DDBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000157940177 197229331 /nfs/dbraw/zinc/22/93/31/197229331.db2.gz HBAKSBBQEFAUEF-VIFPVBQESA-N -1 3 304.393 1.933 20 5 DDBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352884193 285359393 /nfs/dbraw/zinc/35/93/93/285359393.db2.gz QGKJDJIBBSHCDN-JTQLQIEISA-N -1 3 302.352 1.424 20 5 DDBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000352897488 285371375 /nfs/dbraw/zinc/37/13/75/285371375.db2.gz PAFDQVKIACVKPT-NEPJUHHUSA-N -1 3 314.363 1.687 20 5 DDBDHM CCc1ccc(S(=O)(=O)[N-]CC(F)(F)CN)cc1[N+](=O)[O-] ZINC000568881608 304319193 /nfs/dbraw/zinc/31/91/93/304319193.db2.gz LVWFFJXZKQJGRB-UHFFFAOYSA-N -1 3 323.321 1.030 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000359986381 306969598 /nfs/dbraw/zinc/96/95/98/306969598.db2.gz KEGMKTVNOXDJRZ-WDEREUQCSA-N -1 3 316.379 1.649 20 5 DDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000087040730 407116246 /nfs/dbraw/zinc/11/62/46/407116246.db2.gz KCHLKPDHBIEDFH-LLVKDONJSA-N -1 3 306.315 1.173 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000122675985 407307780 /nfs/dbraw/zinc/30/77/80/407307780.db2.gz BROGXPISQRGEAS-UHFFFAOYSA-N -1 3 313.360 1.838 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101577385 407311958 /nfs/dbraw/zinc/31/19/58/407311958.db2.gz LCSDOEKORNWVKP-JTQLQIEISA-N -1 3 302.352 1.607 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000124657581 407365398 /nfs/dbraw/zinc/36/53/98/407365398.db2.gz YHGDYWOGUUFKDT-IONNQARKSA-N -1 3 320.392 1.668 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000178653521 407530262 /nfs/dbraw/zinc/53/02/62/407530262.db2.gz DHCWOLHKDQYCAC-PSASIEDQSA-N -1 3 320.754 1.440 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@@H](C)O ZINC000228068091 407642516 /nfs/dbraw/zinc/64/25/16/407642516.db2.gz YXTLCDNMCLDDOQ-SECBINFHSA-N -1 3 318.351 1.043 20 5 DDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179047313 407704496 /nfs/dbraw/zinc/70/44/96/407704496.db2.gz WHYSVQFKZAPRJG-UHFFFAOYSA-N -1 3 314.301 1.185 20 5 DDBDHM Cc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000179065985 407711580 /nfs/dbraw/zinc/71/15/80/407711580.db2.gz HYOJODAAAPJVKR-UHFFFAOYSA-N -1 3 314.301 1.185 20 5 DDBDHM CCCOC(=O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000267160042 407771487 /nfs/dbraw/zinc/77/14/87/407771487.db2.gz QQYOBGOCOIMFJP-UHFFFAOYSA-N -1 3 316.335 1.216 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(F)c1 ZINC000267173272 407779549 /nfs/dbraw/zinc/77/95/49/407779549.db2.gz IOXLQJRZUPUJAJ-MRVPVSSYSA-N -1 3 320.367 1.908 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000267249640 407806756 /nfs/dbraw/zinc/80/67/56/407806756.db2.gz ZGJSEURYYHRUNB-VIFPVBQESA-N -1 3 302.377 1.769 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119216286 408014626 /nfs/dbraw/zinc/01/46/26/408014626.db2.gz BOTFGUBQESROFF-GWCFXTLKSA-N -1 3 316.379 1.670 20 5 DDBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119215927 408015139 /nfs/dbraw/zinc/01/51/39/408015139.db2.gz BOTFGUBQESROFF-ZWNOBZJWSA-N -1 3 316.379 1.670 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000124241365 161826321 /nfs/dbraw/zinc/82/63/21/161826321.db2.gz SYUFGNDSCAXOPN-SCZZXKLOSA-N -1 3 320.392 1.547 20 5 DDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000263645350 408186155 /nfs/dbraw/zinc/18/61/55/408186155.db2.gz BPZIFJFUSWCZKQ-VIFPVBQESA-N -1 3 318.351 1.307 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000121525570 408233264 /nfs/dbraw/zinc/23/32/64/408233264.db2.gz VJVACLGBWNQTEI-VHSXEESVSA-N -1 3 300.336 1.359 20 5 DDBDHM O=c1ccn(Cc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000131143162 162005957 /nfs/dbraw/zinc/00/59/57/162005957.db2.gz ABBOCEKFBBFEIG-UHFFFAOYSA-N -1 3 314.257 1.560 20 5 DDBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nncn1CC ZINC000285628540 408832151 /nfs/dbraw/zinc/83/21/51/408832151.db2.gz CVNTWBDCDATVDJ-UHFFFAOYSA-N -1 3 305.294 1.857 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000276327739 408836047 /nfs/dbraw/zinc/83/60/47/408836047.db2.gz SDSXFEPKMJMHOR-LBPRGKRZSA-N -1 3 324.333 1.756 20 5 DDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000292129484 408986031 /nfs/dbraw/zinc/98/60/31/408986031.db2.gz XQVZMQLLDCAROB-JTQLQIEISA-N -1 3 302.352 1.261 20 5 DDBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)nn1C ZINC000293726107 409169021 /nfs/dbraw/zinc/16/90/21/409169021.db2.gz PZRABZQARLRDHU-UHFFFAOYSA-N -1 3 320.265 1.501 20 5 DDBDHM CCN(C)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337933941 409581817 /nfs/dbraw/zinc/58/18/17/409581817.db2.gz FCPNSKGOAURJEX-UHFFFAOYSA-N -1 3 301.368 1.133 20 5 DDBDHM Cc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=O)n1 ZINC000342498216 409680121 /nfs/dbraw/zinc/68/01/21/409680121.db2.gz UXIZHVATSOMEQJ-SECBINFHSA-N -1 3 302.290 1.890 20 5 DDBDHM COc1cc(C(=O)[N-]OCC(C)(C)O)c([N+](=O)[O-])cc1F ZINC000299084695 410515147 /nfs/dbraw/zinc/51/51/47/410515147.db2.gz VBTZLIKQLAWRLQ-UHFFFAOYSA-N -1 3 302.258 1.175 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCOCC1 ZINC000330494439 410729219 /nfs/dbraw/zinc/72/92/19/410729219.db2.gz OWOQKPCLIZVLAH-UHFFFAOYSA-N -1 3 316.335 1.061 20 5 DDBDHM C/C=C\C[C@H](CO)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000351546835 418643936 /nfs/dbraw/zinc/64/39/36/418643936.db2.gz WFNSRNYSWGBGKM-OTDNITJGSA-N -1 3 304.306 2.384 20 5 DDBDHM CCOc1cccc(N2CCCN(CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000391541256 418757541 /nfs/dbraw/zinc/75/75/41/418757541.db2.gz XZRNVKAVRIMJGH-UHFFFAOYSA-N -1 3 323.349 1.590 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cnc(C)[n-]c1=O ZINC000446427568 230266542 /nfs/dbraw/zinc/26/65/42/230266542.db2.gz HBYNHJTYARIQJT-UHFFFAOYSA-N -1 3 302.290 1.637 20 5 DDBDHM Cn1ccnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1=O ZINC000444107422 420754182 /nfs/dbraw/zinc/75/41/82/420754182.db2.gz VPAYCSPBOUNGBZ-UHFFFAOYSA-N -1 3 308.681 1.594 20 5 DDBDHM CC(C)(C)N1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000515387065 421499325 /nfs/dbraw/zinc/49/93/25/421499325.db2.gz YLPLKCIMPPMYDR-UHFFFAOYSA-N -1 3 322.365 1.999 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000583502567 422176103 /nfs/dbraw/zinc/17/61/03/422176103.db2.gz VGIWLIOSEZDSQO-HNNXBMFYSA-N -1 3 320.349 1.528 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCN1C ZINC000299216639 281262084 /nfs/dbraw/zinc/26/20/84/281262084.db2.gz HYJXEZFTUZMZGX-NSHDSACASA-N -1 3 313.379 1.276 20 5 DDBDHM CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272585952 290231073 /nfs/dbraw/zinc/23/10/73/290231073.db2.gz HHLFLHAIGOMJFZ-GWCFXTLKSA-N -1 3 305.334 1.467 20 5 DDBDHM CN1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)C1 ZINC000293607161 290251332 /nfs/dbraw/zinc/25/13/32/290251332.db2.gz CILFCYOSMSLOQX-HNNXBMFYSA-N -1 3 305.334 1.468 20 5 DDBDHM C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376406831 302074431 /nfs/dbraw/zinc/07/44/31/302074431.db2.gz KJVZVGAUFGRNKT-RYUDHWBXSA-N -1 3 319.361 1.999 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ncccc1[O-] ZINC000360023769 306971397 /nfs/dbraw/zinc/97/13/97/306971397.db2.gz LUKNIBFUPWKSGX-UHFFFAOYSA-N -1 3 323.330 1.482 20 5 DDBDHM C[C@H]1CCCN(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565483054 308032380 /nfs/dbraw/zinc/03/23/80/308032380.db2.gz CEPGZBYAPZZOQK-JTQLQIEISA-N -1 3 308.338 1.832 20 5 DDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C)C2)c1C ZINC000576633666 308328417 /nfs/dbraw/zinc/32/84/17/308328417.db2.gz KZOWDOVCGOOGNB-ONGXEEELSA-N -1 3 314.363 1.667 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2CO)c(-c2nnn[n-]2)c1 ZINC000738370107 598933920 /nfs/dbraw/zinc/93/39/20/598933920.db2.gz NPTXWRFWSUTYNX-CABZTGNLSA-N -1 3 318.337 1.738 20 5 DDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2CO)c(-c2nn[n-]n2)c1 ZINC000738370107 598933921 /nfs/dbraw/zinc/93/39/21/598933921.db2.gz NPTXWRFWSUTYNX-CABZTGNLSA-N -1 3 318.337 1.738 20 5 DDBDHM Cc1ncc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737490947 598499373 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O=[N+]([O-])c1ccc(N2CCc3c[nH]nc3C2)c(-c2nn[n-]n2)c1 ZINC000826498606 607565074 /nfs/dbraw/zinc/56/50/74/607565074.db2.gz COKYAUMVMJVEKT-UHFFFAOYSA-N -1 3 312.293 1.061 20 5 DDBDHM CN1CCC(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830928133 604629284 /nfs/dbraw/zinc/62/92/84/604629284.db2.gz IFZOCASAOISATF-UHFFFAOYSA-N -1 3 324.293 1.707 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826498833 608235738 /nfs/dbraw/zinc/23/57/38/608235738.db2.gz LMPDYLSJGXXMKC-UHFFFAOYSA-N -1 3 316.321 1.534 20 5 DDBDHM O=[N+]([O-])c1ccc(N2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826498833 608235740 /nfs/dbraw/zinc/23/57/40/608235740.db2.gz LMPDYLSJGXXMKC-UHFFFAOYSA-N -1 3 316.321 1.534 20 5 DDBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2ccon2)cc([N+](=O)[O-])c1 ZINC000179535917 697439019 /nfs/dbraw/zinc/43/90/19/697439019.db2.gz XOFVCSKARNEQHK-UHFFFAOYSA-N -1 3 311.275 1.239 20 5 DDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccsc2C(N)=O)n1 ZINC000756720268 700638082 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CC[C@@H](C(=O)[O-])N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593331182 355856270 /nfs/dbraw/zinc/85/62/70/355856270.db2.gz DNQSVZUFUQGILE-JTQLQIEISA-N -1 3 310.306 1.661 20 5 DDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)nc1 ZINC000593558636 355924556 /nfs/dbraw/zinc/92/45/56/355924556.db2.gz FBHOGJXGUJGZSU-VIFPVBQESA-N -1 3 303.365 1.164 20 5 DDBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593625021 355946408 /nfs/dbraw/zinc/94/64/08/355946408.db2.gz QGQMOSPONKMNMG-MWLCHTKSSA-N -1 3 317.367 1.065 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC000594865290 356344117 /nfs/dbraw/zinc/34/41/17/356344117.db2.gz OJMRZTAXSLENHN-NSHDSACASA-N -1 3 314.363 1.282 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000595384579 356473723 /nfs/dbraw/zinc/47/37/23/356473723.db2.gz YILQANNLFSNFGU-SECBINFHSA-N -1 3 310.335 1.368 20 5 DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601351392 358511649 /nfs/dbraw/zinc/51/16/49/358511649.db2.gz GMUPUMCIRAUUGZ-MRVPVSSYSA-N -1 3 308.381 1.668 20 5 DDBDHM O=c1[n-]ccc(NC2CCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000596099911 356771144 /nfs/dbraw/zinc/77/11/44/356771144.db2.gz ZINPIOAFUZLYIT-UHFFFAOYSA-N -1 3 302.281 1.837 20 5 DDBDHM Cc1cc(N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(F)cc1[N+](=O)[O-] ZINC000596252390 356833046 /nfs/dbraw/zinc/83/30/46/356833046.db2.gz KBHLSKJWXOKRPK-SNVBAGLBSA-N -1 3 320.328 1.925 20 5 DDBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000596158057 356796042 /nfs/dbraw/zinc/79/60/42/356796042.db2.gz ONTWRJXXLRZOAG-CMPLNLGQSA-N -1 3 303.322 1.979 20 5 DDBDHM CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597860989 357362501 /nfs/dbraw/zinc/36/25/01/357362501.db2.gz QVVPMDQTXQBVIX-JTQLQIEISA-N -1 3 307.350 1.903 20 5 DDBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCN(CC)C1 ZINC000598038459 357437603 /nfs/dbraw/zinc/43/76/03/357437603.db2.gz DEIBXIOZGRNTCM-NSHDSACASA-N -1 3 307.350 1.857 20 5 DDBDHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[n-]1 ZINC000179372334 199023497 /nfs/dbraw/zinc/02/34/97/199023497.db2.gz GSKSUDYVQZIKEQ-UHFFFAOYSA-N -1 3 306.282 1.040 20 5 DDBDHM COc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[n-]1 ZINC000179372334 199023498 /nfs/dbraw/zinc/02/34/98/199023498.db2.gz GSKSUDYVQZIKEQ-UHFFFAOYSA-N -1 3 306.282 1.040 20 5 DDBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n1 ZINC000179372334 199023500 /nfs/dbraw/zinc/02/35/00/199023500.db2.gz GSKSUDYVQZIKEQ-UHFFFAOYSA-N -1 3 306.282 1.040 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000603422118 359630573 /nfs/dbraw/zinc/63/05/73/359630573.db2.gz CQTICMRDXWXFDS-LURJTMIESA-N -1 3 310.278 1.535 20 5 DDBDHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604278267 359732221 /nfs/dbraw/zinc/73/22/21/359732221.db2.gz ZLSBSQLOABCARO-VIFPVBQESA-N -1 3 317.342 1.106 20 5 DDBDHM CC[C@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610880869 360561026 /nfs/dbraw/zinc/56/10/26/360561026.db2.gz SJCSDSBLAGRPQE-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)COCC3)c1[N+](=O)[O-] ZINC000264680834 204072808 /nfs/dbraw/zinc/07/28/08/204072808.db2.gz PFOUXJNKOQJVLV-UHFFFAOYSA-N -1 3 323.334 1.662 20 5 DDBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000360106683 299593995 /nfs/dbraw/zinc/59/39/95/299593995.db2.gz DPOSKQUXLRAHMW-GFCCVEGCSA-N -1 3 316.379 1.669 20 5 DDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120795845 195239820 /nfs/dbraw/zinc/23/98/20/195239820.db2.gz VZJRJISCFPIYCK-NSHDSACASA-N -1 3 316.379 1.915 20 5 DDBDHM Cc1cncc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000120875188 195255869 /nfs/dbraw/zinc/25/58/69/195255869.db2.gz PUSIVEOFNXXFBI-UHFFFAOYSA-N -1 3 307.331 1.777 20 5 DDBDHM O=c1[n-]cnc2c1CN(c1nc3sccn3c1[N+](=O)[O-])CC2 ZINC000269698317 296496776 /nfs/dbraw/zinc/49/67/76/296496776.db2.gz JELIKAFXGWXJMN-UHFFFAOYSA-N -1 3 318.318 1.362 20 5 DDBDHM COc1ccc([N+](=O)[O-])cc1OCC(=O)[N-]c1cc(C)no1 ZINC000031674182 406941546 /nfs/dbraw/zinc/94/15/46/406941546.db2.gz RMNYXTKYNGEOHW-UHFFFAOYSA-N -1 3 307.262 1.917 20 5 DDBDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000087040729 407116219 /nfs/dbraw/zinc/11/62/19/407116219.db2.gz KCHLKPDHBIEDFH-NSHDSACASA-N -1 3 306.315 1.173 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000089166469 407125854 /nfs/dbraw/zinc/12/58/54/407125854.db2.gz YXLOPPKXEACHFK-GXSJLCMTSA-N -1 3 300.336 1.034 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCCO ZINC000094947074 407205123 /nfs/dbraw/zinc/20/51/23/407205123.db2.gz FKHZQQFXOFHKBL-SNVBAGLBSA-N -1 3 302.352 1.343 20 5 DDBDHM CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000103531804 407342147 /nfs/dbraw/zinc/34/21/47/407342147.db2.gz HLEAGNSNMMYMJA-UHFFFAOYSA-N -1 3 307.350 1.714 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000123991325 407345035 /nfs/dbraw/zinc/34/50/35/407345035.db2.gz KXDCFBOXNULQRG-UHFFFAOYSA-N -1 3 306.365 1.280 20 5 DDBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271311039 407630716 /nfs/dbraw/zinc/63/07/16/407630716.db2.gz YXGWWGHBCUUVNV-WDEREUQCSA-N -1 3 314.363 1.688 20 5 DDBDHM O=C(NC1CCN(C2CC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186838902 407783028 /nfs/dbraw/zinc/78/30/28/407783028.db2.gz CDDXUPIRBQEEMX-UHFFFAOYSA-N -1 3 306.322 1.052 20 5 DDBDHM COc1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[n-]1 ZINC000182997604 408301253 /nfs/dbraw/zinc/30/12/53/408301253.db2.gz VJTUBHXKZPSAEQ-UHFFFAOYSA-N -1 3 302.250 1.455 20 5 DDBDHM COc1nc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n[n-]1 ZINC000182997604 408301262 /nfs/dbraw/zinc/30/12/62/408301262.db2.gz VJTUBHXKZPSAEQ-UHFFFAOYSA-N -1 3 302.250 1.455 20 5 DDBDHM COc1n[n-]c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000182997604 408301268 /nfs/dbraw/zinc/30/12/68/408301268.db2.gz VJTUBHXKZPSAEQ-UHFFFAOYSA-N -1 3 302.250 1.455 20 5 DDBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(OC)[n-]1 ZINC000184930424 408719678 /nfs/dbraw/zinc/71/96/78/408719678.db2.gz INYYVSWHJRGDJT-SNVBAGLBSA-N -1 3 319.321 1.929 20 5 DDBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(OC)n1 ZINC000184930424 408719684 /nfs/dbraw/zinc/71/96/84/408719684.db2.gz INYYVSWHJRGDJT-SNVBAGLBSA-N -1 3 319.321 1.929 20 5 DDBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(OC)n[n-]1 ZINC000184930424 408719687 /nfs/dbraw/zinc/71/96/87/408719687.db2.gz INYYVSWHJRGDJT-SNVBAGLBSA-N -1 3 319.321 1.929 20 5 DDBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000296309320 409497931 /nfs/dbraw/zinc/49/79/31/409497931.db2.gz SLUQUWSUIKBGSA-SNVBAGLBSA-N -1 3 302.352 1.688 20 5 DDBDHM CCCCOCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337943873 409588206 /nfs/dbraw/zinc/58/82/06/409588206.db2.gz RIGFLUUUBUGZNK-UHFFFAOYSA-N -1 3 316.379 1.998 20 5 DDBDHM COc1cc(S(=O)(=O)[N-]CCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000297126939 409816574 /nfs/dbraw/zinc/81/65/74/409816574.db2.gz QBPDOSVIFSESKL-UHFFFAOYSA-N -1 3 324.305 1.927 20 5 DDBDHM Cc1cc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH]n1[C@@H](C)C1CC1 ZINC000354603949 409963085 /nfs/dbraw/zinc/96/30/85/409963085.db2.gz RKHHUERYCWILAE-QMMMGPOBSA-N -1 3 304.310 2.046 20 5 DDBDHM Cc1cc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)[nH]n1[C@@H](C)C1CC1 ZINC000354603949 409963096 /nfs/dbraw/zinc/96/30/96/409963096.db2.gz RKHHUERYCWILAE-QMMMGPOBSA-N -1 3 304.310 2.046 20 5 DDBDHM C[C@H]1[C@H](N2CCOCC2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339201369 410068299 /nfs/dbraw/zinc/06/82/99/410068299.db2.gz GQJMSOCKENHBQK-SWLSCSKDSA-N -1 3 321.377 1.595 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000343491732 410491660 /nfs/dbraw/zinc/49/16/60/410491660.db2.gz BONDOHXBNSOJIC-UHFFFAOYSA-N -1 3 319.408 1.337 20 5 DDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343490636 410492158 /nfs/dbraw/zinc/49/21/58/410492158.db2.gz AICCAJIOYRVEFJ-SSDOTTSWSA-N -1 3 308.381 1.668 20 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/nfs/dbraw/zinc/60/68/24/420606824.db2.gz JSENSQIZBBPZQV-GFCCVEGCSA-N -1 3 307.350 1.855 20 5 DDBDHM C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000516289528 421539616 /nfs/dbraw/zinc/53/96/16/421539616.db2.gz BONOEAHJXSLISS-CABZTGNLSA-N -1 3 321.333 1.236 20 5 DDBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531633662 421641167 /nfs/dbraw/zinc/64/11/67/421641167.db2.gz RLRDWYAKSJAEKP-UHFFFAOYSA-N -1 3 311.261 1.422 20 5 DDBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531633662 421641168 /nfs/dbraw/zinc/64/11/68/421641168.db2.gz RLRDWYAKSJAEKP-UHFFFAOYSA-N -1 3 311.261 1.422 20 5 DDBDHM O=C([N-]c1nncn1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000532144410 421650504 /nfs/dbraw/zinc/65/05/04/421650504.db2.gz PJCGMPOMYBBAAX-UHFFFAOYSA-N -1 3 324.300 1.882 20 5 DDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000522257778 421821801 /nfs/dbraw/zinc/82/18/01/421821801.db2.gz RJMSVGZZHFQPEI-JTQLQIEISA-N -1 3 304.306 1.145 20 5 DDBDHM CCc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n[nH]1 ZINC000540894751 421772901 /nfs/dbraw/zinc/77/29/01/421772901.db2.gz BHADTLZVCPYCQZ-UHFFFAOYSA-N -1 3 305.250 1.256 20 5 DDBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000544024793 421842921 /nfs/dbraw/zinc/84/29/21/421842921.db2.gz PGEIHYOYWMXMCI-UHFFFAOYSA-N -1 3 317.257 1.719 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COCC1(C)C ZINC000451960878 302050369 /nfs/dbraw/zinc/05/03/69/302050369.db2.gz CFLSXCVRNKFGQW-NSHDSACASA-N -1 3 314.363 1.607 20 5 DDBDHM COC(=O)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000564394222 484336306 /nfs/dbraw/zinc/33/63/06/484336306.db2.gz FDOFIDPDDGTRDR-UHFFFAOYSA-N -1 3 308.275 1.485 20 5 DDBDHM COC(=O)CCCO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000290566722 500786731 /nfs/dbraw/zinc/78/67/31/500786731.db2.gz IRPFXAVHZXVNPJ-UHFFFAOYSA-N -1 3 316.697 1.863 20 5 DDBDHM CC1(C)COC[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451958925 529134829 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ZINC000255389161 698417098 /nfs/dbraw/zinc/41/70/98/698417098.db2.gz XGUGGTWKFKMFNZ-ZROIWOOFSA-N -1 3 324.296 1.822 20 5 DDBDHM Cc1c(C(=O)[N-]N2CCCC2=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000780699500 698550681 /nfs/dbraw/zinc/55/06/81/698550681.db2.gz IHAWVSODYKQTRV-UHFFFAOYSA-N -1 3 322.277 1.387 20 5 DDBDHM NC(=O)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000771769260 701329913 /nfs/dbraw/zinc/32/99/13/701329913.db2.gz VHXVEDVPVUERHP-UHFFFAOYSA-N -1 3 322.199 1.152 20 5 DDBDHM CO[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826146786 705777447 /nfs/dbraw/zinc/77/74/47/705777447.db2.gz DBXUMBSEWZNZNQ-JTQLQIEISA-N -1 3 319.325 1.175 20 5 DDBDHM CO[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826146786 705777451 /nfs/dbraw/zinc/77/74/51/705777451.db2.gz DBXUMBSEWZNZNQ-JTQLQIEISA-N -1 3 319.325 1.175 20 5 DDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H]2CCCN(C)C2)n1 ZINC000910355421 709907578 /nfs/dbraw/zinc/90/75/78/709907578.db2.gz MCTBRNCGAARPOC-JTQLQIEISA-N -1 3 308.338 1.527 20 5 DDBDHM C[C@H]1COC[C@@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000902964984 710977573 /nfs/dbraw/zinc/97/75/73/710977573.db2.gz PMGNWUKGPBXUNY-KWQFWETISA-N -1 3 316.260 1.718 20 5 DDBDHM COCCN(CCF)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895355129 711492560 /nfs/dbraw/zinc/49/25/60/711492560.db2.gz IMSMVURPODWJGH-UHFFFAOYSA-N -1 3 302.302 1.727 20 5 DDBDHM CC(C)c1nc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])n(C)n1 ZINC001187615312 744585739 /nfs/dbraw/zinc/58/57/39/744585739.db2.gz JYLCKEMSGXYJNN-UHFFFAOYSA-N -1 3 306.326 1.602 20 5 DDBDHM CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001061912563 751952742 /nfs/dbraw/zinc/95/27/42/751952742.db2.gz ARIAZLFVKQAJDQ-PHIMTYICSA-N -1 3 320.349 1.531 20 5 DDBDHM Nc1ccc2n(C(=O)c3cnn[n-]3)c3ccccc3cc-2c1=O ZINC001189351266 744882738 /nfs/dbraw/zinc/88/27/38/744882738.db2.gz AOHMKFBDTQZILK-UHFFFAOYSA-N -1 3 305.297 1.495 20 5 DDBDHM Nc1ccc2n(C(=O)c3c[n-]nn3)c3ccccc3cc-2c1=O 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307.350 1.903 20 5 DDBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601475485 358569242 /nfs/dbraw/zinc/56/92/42/358569242.db2.gz CBUZJIRYBQYZBB-KYZUINATSA-N -1 3 318.326 1.498 20 5 DDBDHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601476053 358569653 /nfs/dbraw/zinc/56/96/53/358569653.db2.gz WPMCTQZPRONDTE-DTORHVGOSA-N -1 3 320.392 1.668 20 5 DDBDHM CN1CCC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565603287 304079658 /nfs/dbraw/zinc/07/96/58/304079658.db2.gz KNAVLCBXCJRZRK-GFCCVEGCSA-N -1 3 307.350 1.976 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nn2cnnc2s1 ZINC000613264490 361356999 /nfs/dbraw/zinc/35/69/99/361356999.db2.gz PJIBKGUKJCKNSL-UHFFFAOYSA-N -1 3 304.291 1.655 20 5 DDBDHM C[C@H]1CCCCN1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566295111 304140435 /nfs/dbraw/zinc/14/04/35/304140435.db2.gz RJMQNNFKYQRSPB-JTQLQIEISA-N -1 3 308.338 1.974 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H]1CCOC1 ZINC000266247852 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DDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000265653772 408731779 /nfs/dbraw/zinc/73/17/79/408731779.db2.gz OKSJUDSPDSTQDC-SECBINFHSA-N -1 3 318.351 1.307 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-]C2(C)CCC2)c([N+](=O)[O-])c1 ZINC000167430809 408817224 /nfs/dbraw/zinc/81/72/24/408817224.db2.gz ZKOWIZSJGKXENO-UHFFFAOYSA-N -1 3 300.336 1.824 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nncn1C1CC1 ZINC000285783161 408863173 /nfs/dbraw/zinc/86/31/73/408863173.db2.gz LUWOMUKRXVYGPW-UHFFFAOYSA-N -1 3 303.278 1.782 20 5 DDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C)CCOC2)c1[N+](=O)[O-] ZINC000276780531 408896600 /nfs/dbraw/zinc/89/66/00/408896600.db2.gz IBHRXCVIBWZQHG-CYBMUJFWSA-N -1 3 314.363 1.669 20 5 DDBDHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000230152066 163346317 /nfs/dbraw/zinc/34/63/17/163346317.db2.gz RAYUVBYABDPRHF-SECBINFHSA-N -1 3 320.342 1.421 20 5 DDBDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CN1C1CC1 ZINC000331534355 409611276 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Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)n[n-]1 ZINC000435711845 420280277 /nfs/dbraw/zinc/28/02/77/420280277.db2.gz UIPJWWHDAHSCCH-UHFFFAOYSA-N -1 3 315.293 1.309 20 5 DDBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]n1 ZINC000435711845 420280282 /nfs/dbraw/zinc/28/02/82/420280282.db2.gz UIPJWWHDAHSCCH-UHFFFAOYSA-N -1 3 315.293 1.309 20 5 DDBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000416526795 420407530 /nfs/dbraw/zinc/40/75/30/420407530.db2.gz BOJQUPUMUMYYMA-PSASIEDQSA-N -1 3 318.326 1.580 20 5 DDBDHM CC(C)N1CC[C@@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000457082165 420604688 /nfs/dbraw/zinc/60/46/88/420604688.db2.gz DROINNBQYIKSSK-LLVKDONJSA-N -1 3 307.350 1.855 20 5 DDBDHM O=C(Nc1cnc2n1CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452336102 275000793 /nfs/dbraw/zinc/00/07/93/275000793.db2.gz TWRDQJWCYYVBMY-UHFFFAOYSA-N -1 3 303.278 1.481 20 5 DDBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1[O-] ZINC000153522272 281801040 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CCOC(=O)[C@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CO1 ZINC001225668153 881964838 /nfs/dbraw/zinc/96/48/38/881964838.db2.gz YYQSXZOFCVXSGH-PSASIEDQSA-N -1 3 312.278 1.185 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001164373921 869164466 /nfs/dbraw/zinc/16/44/66/869164466.db2.gz FBIZYFAPJHCCMR-JTQLQIEISA-N -1 3 301.306 2.000 20 5 DDBDHM O=c1[nH][n-]cc1CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001164382438 869170542 /nfs/dbraw/zinc/17/05/42/869170542.db2.gz OAZHGGWJAJZSFY-MRVPVSSYSA-N -1 3 302.294 1.395 20 5 DDBDHM Nc1c(C(=O)[N-]c2nc3n(n2)CCCC3)cc(F)cc1[N+](=O)[O-] ZINC000457139219 232000441 /nfs/dbraw/zinc/00/04/41/232000441.db2.gz FKRCRHJHRUKPIU-UHFFFAOYSA-N -1 3 320.284 1.496 20 5 DDBDHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330829441 232098551 /nfs/dbraw/zinc/09/85/51/232098551.db2.gz TXWVUFAOOMCYKW-QWHCGFSZSA-N -1 3 314.363 1.424 20 5 DDBDHM COc1cc(CNC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000616487186 362721323 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Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000120542425 354012261 /nfs/dbraw/zinc/01/22/61/354012261.db2.gz HVKSCPSPUKQFGZ-ZJUUUORDSA-N -1 3 302.352 1.198 20 5 DDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@H](C)F ZINC000590165557 355055792 /nfs/dbraw/zinc/05/57/92/355055792.db2.gz MWVVFPNESKERDM-QMMMGPOBSA-N -1 3 306.315 1.630 20 5 DDBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000601319467 358494039 /nfs/dbraw/zinc/49/40/39/358494039.db2.gz AXZIRYGWOHCPEL-SECBINFHSA-N -1 3 319.408 1.337 20 5 DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601320141 358494089 /nfs/dbraw/zinc/49/40/89/358494089.db2.gz MLQIKDQDFCLTIA-SSDOTTSWSA-N -1 3 308.381 1.526 20 5 DDBDHM CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000592077665 355487257 /nfs/dbraw/zinc/48/72/57/355487257.db2.gz OQLBDUYPLZLHCC-SECBINFHSA-N -1 3 316.335 1.072 20 5 DDBDHM CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592828686 355704769 /nfs/dbraw/zinc/70/47/69/355704769.db2.gz HXVCOXXEHNZCCA-LBPRGKRZSA-N -1 3 307.350 1.857 20 5 DDBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553137 355922895 /nfs/dbraw/zinc/92/28/95/355922895.db2.gz PTGDQQCYCFTXJF-VIFPVBQESA-N -1 3 317.367 1.472 20 5 DDBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000593571518 355929832 /nfs/dbraw/zinc/92/98/32/355929832.db2.gz GNTPLZLXXGMUGO-UWVGGRQHSA-N -1 3 315.351 1.083 20 5 DDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000594799399 356321491 /nfs/dbraw/zinc/32/14/91/356321491.db2.gz WNWBCWCUGGHGFY-LDYMZIIASA-N -1 3 323.334 1.171 20 5 DDBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)O1 ZINC000594852222 356337279 /nfs/dbraw/zinc/33/72/79/356337279.db2.gz ORGOHYONJYAZGZ-MWLCHTKSSA-N -1 3 315.351 1.226 20 5 DDBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000579348357 422751977 /nfs/dbraw/zinc/75/19/77/422751977.db2.gz DQQAMOIFDVGWIN-YUMQZZPRSA-N -1 3 320.754 1.704 20 5 DDBDHM Cc1ncc2c(n1)CC[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596111367 356775627 /nfs/dbraw/zinc/77/56/27/356775627.db2.gz WUSDGKBJFIUIRF-SNVBAGLBSA-N -1 3 301.306 1.763 20 5 DDBDHM O=c1[n-]ccc(NCCc2nnc3n2CCCC3)c1[N+](=O)[O-] ZINC000596191250 356806770 /nfs/dbraw/zinc/80/67/70/356806770.db2.gz MGLCVHLNOXNJIH-UHFFFAOYSA-N -1 3 304.310 1.278 20 5 DDBDHM CN1CC[C@]2(C1)CCCN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000597709784 357296437 /nfs/dbraw/zinc/29/64/37/357296437.db2.gz BUOQGKMFXXWBGH-INIZCTEOSA-N -1 3 319.361 1.858 20 5 DDBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCN(C)CC1 ZINC000599986451 358096752 /nfs/dbraw/zinc/09/67/52/358096752.db2.gz SONWMUKKDHZTBR-UHFFFAOYSA-N -1 3 307.350 1.857 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000180763438 199206551 /nfs/dbraw/zinc/20/65/51/199206551.db2.gz RKLSISKMKWCTCX-NSHDSACASA-N -1 3 314.363 1.832 20 5 DDBDHM Cn1ncc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C(F)F ZINC000611170640 360644553 /nfs/dbraw/zinc/64/45/53/360644553.db2.gz QWRSGEGFCAUZGN-UHFFFAOYSA-N -1 3 313.220 1.619 20 5 DDBDHM CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535274 360751246 /nfs/dbraw/zinc/75/12/46/360751246.db2.gz VVLGVPLVWYGPRD-LLVKDONJSA-N -1 3 307.350 1.905 20 5 DDBDHM Cc1nc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])cn1C ZINC000266278728 205233976 /nfs/dbraw/zinc/23/39/76/205233976.db2.gz IPIUJCIATBWIIH-UHFFFAOYSA-N -1 3 324.362 1.158 20 5 DDBDHM COCc1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000359549842 299477096 /nfs/dbraw/zinc/47/70/96/299477096.db2.gz XANZAOHLSCCEQB-UHFFFAOYSA-N -1 3 310.291 1.551 20 5 DDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000340828441 251232367 /nfs/dbraw/zinc/23/23/67/251232367.db2.gz QMQFUDYZVCAIFT-UWVGGRQHSA-N -1 3 302.352 1.341 20 5 DDBDHM COc1cccc(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000340990182 251321705 /nfs/dbraw/zinc/32/17/05/251321705.db2.gz KGDSIXJHOBODEL-UHFFFAOYSA-N -1 3 306.282 1.040 20 5 DDBDHM COc1ccc(S(=O)(=O)[N-][C@@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC000270257302 208324604 /nfs/dbraw/zinc/32/46/04/208324604.db2.gz SJJSQRWOXUDFFJ-LBPRGKRZSA-N -1 3 316.335 1.061 20 5 DDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000352561332 285142491 /nfs/dbraw/zinc/14/24/91/285142491.db2.gz WGPUTJIKUDCABA-LLVKDONJSA-N -1 3 314.363 1.424 20 5 DDBDHM CSc1nsc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000444848070 533095902 /nfs/dbraw/zinc/09/59/02/533095902.db2.gz LAOTXDKLYFBCIP-UHFFFAOYSA-N -1 3 313.320 1.521 20 5 DDBDHM CC[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000157870957 197222212 /nfs/dbraw/zinc/22/22/12/197222212.db2.gz DLNPNMCOOIOXIP-SNVBAGLBSA-N -1 3 318.351 1.043 20 5 DDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000120525683 195183914 /nfs/dbraw/zinc/18/39/14/195183914.db2.gz HPSRYPANPZUQAO-HTQZYQBOSA-N -1 3 322.770 1.543 20 5 DDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000071304987 406837775 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COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000129839881 407631127 /nfs/dbraw/zinc/63/11/27/407631127.db2.gz NQJQCPUNRITXHD-MRVPVSSYSA-N -1 3 320.309 1.134 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000129839881 407631132 /nfs/dbraw/zinc/63/11/32/407631132.db2.gz NQJQCPUNRITXHD-MRVPVSSYSA-N -1 3 320.309 1.134 20 5 DDBDHM C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000153818665 407911207 /nfs/dbraw/zinc/91/12/07/407911207.db2.gz BBNICOMBQOIIEM-GHMZBOCLSA-N -1 3 307.350 1.855 20 5 DDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000193173161 163248679 /nfs/dbraw/zinc/24/86/79/163248679.db2.gz MZCXWPWVPVWJOX-UHFFFAOYSA-N -1 3 323.330 1.477 20 5 DDBDHM O=c1[n-]nc([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000283889580 409234077 /nfs/dbraw/zinc/23/40/77/409234077.db2.gz FEBXMYXOJNRYJX-LBPRGKRZSA-N -1 3 318.333 1.693 20 5 DDBDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295720237 409365271 /nfs/dbraw/zinc/36/52/71/409365271.db2.gz LOPNCAVMBRSMSZ-VIFPVBQESA-N -1 3 320.342 1.563 20 5 DDBDHM CC(C)(CO)O[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000297227472 409863691 /nfs/dbraw/zinc/86/36/91/409863691.db2.gz ODVRURJSJGLGHE-UHFFFAOYSA-N -1 3 302.714 1.609 20 5 DDBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332646032 410193929 /nfs/dbraw/zinc/19/39/29/410193929.db2.gz SNPNGBOPKFNUCM-ZWNOBZJWSA-N -1 3 318.333 1.200 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000353055538 410761504 /nfs/dbraw/zinc/76/15/04/410761504.db2.gz FLDIMNSKWBWSLM-VIFPVBQESA-N -1 3 319.408 1.337 20 5 DDBDHM Nc1nc(Sc2n[n-]c(-c3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000341796451 411055343 /nfs/dbraw/zinc/05/53/43/411055343.db2.gz DJDLJPYCSSEVCQ-UHFFFAOYSA-N -1 3 315.318 1.903 20 5 DDBDHM Cc1cc(CS(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000362592011 307021393 /nfs/dbraw/zinc/02/13/93/307021393.db2.gz MJVGDSVPTCFEAM-UHFFFAOYSA-N -1 3 311.319 1.511 20 5 DDBDHM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCC(=O)[O-] ZINC000430674882 420175965 /nfs/dbraw/zinc/17/59/65/420175965.db2.gz CPPROFMUJYJPBD-SNVBAGLBSA-N -1 3 309.322 1.718 20 5 DDBDHM COc1cc(C(=O)[N-]c2nocc2C)c([N+](=O)[O-])cc1OC ZINC000436016810 420301156 /nfs/dbraw/zinc/30/11/56/420301156.db2.gz UBCJWACLEYEBEO-UHFFFAOYSA-N -1 3 307.262 2.161 20 5 DDBDHM COc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1[N+](=O)[O-] ZINC000436826446 420371636 /nfs/dbraw/zinc/37/16/36/420371636.db2.gz PRROFINNFGFRMY-UHFFFAOYSA-N -1 3 318.285 1.945 20 5 DDBDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000420717963 420367404 /nfs/dbraw/zinc/36/74/04/420367404.db2.gz DTMNSLNFZOAZTG-WDEREUQCSA-N -1 3 314.363 1.831 20 5 DDBDHM CCOC([O-])=NOCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000496549426 421272259 /nfs/dbraw/zinc/27/22/59/421272259.db2.gz JZIHUDYRFBRVBJ-UHFFFAOYSA-N -1 3 300.267 1.660 20 5 DDBDHM CCOC(=O)[N-]OCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000496549426 421272263 /nfs/dbraw/zinc/27/22/63/421272263.db2.gz JZIHUDYRFBRVBJ-UHFFFAOYSA-N -1 3 300.267 1.660 20 5 DDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000572116992 421763935 /nfs/dbraw/zinc/76/39/35/421763935.db2.gz NPKNUJABCOZLPH-SVRRBLITSA-N -1 3 306.365 1.420 20 5 DDBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCCc2c(C)[n-][nH]c2=O)c1 ZINC000543899339 421842387 /nfs/dbraw/zinc/84/23/87/421842387.db2.gz FHYYMNOFDSKLDD-SNVBAGLBSA-N -1 3 320.305 1.305 20 5 DDBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186168519 263397369 /nfs/dbraw/zinc/39/73/69/263397369.db2.gz GMOSQGBIDKNLQF-ZETCQYMHSA-N -1 3 306.315 1.819 20 5 DDBDHM Cc1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[n-]c(=O)n1 ZINC000119441006 281099107 /nfs/dbraw/zinc/09/91/07/281099107.db2.gz DZVNCFPBUBZPOY-UHFFFAOYSA-N -1 3 314.301 1.597 20 5 DDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189892150 293006417 /nfs/dbraw/zinc/00/64/17/293006417.db2.gz OPFJYADEGWTSLP-SECBINFHSA-N -1 3 316.379 1.772 20 5 DDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C)C1 ZINC000271230326 302048897 /nfs/dbraw/zinc/04/88/97/302048897.db2.gz IQTZYZPBPJEOTN-WDEREUQCSA-N -1 3 314.363 1.749 20 5 DDBDHM Cc1cc(C(=O)N2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC000377140398 307264188 /nfs/dbraw/zinc/26/41/88/307264188.db2.gz MOEOCZFIDCDDKF-HNNXBMFYSA-N -1 3 321.333 1.647 20 5 DDBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000533195925 307636028 /nfs/dbraw/zinc/63/60/28/307636028.db2.gz OONAZUZSXXUKQF-LBPRGKRZSA-N -1 3 305.334 1.611 20 5 DDBDHM CCCN1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160333498 519850909 /nfs/dbraw/zinc/85/09/09/519850909.db2.gz PZDNHYBRJPPCKU-UHFFFAOYSA-N -1 3 307.350 1.858 20 5 DDBDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000451795740 529363394 /nfs/dbraw/zinc/36/33/94/529363394.db2.gz JDEHHCXJHXQFDQ-GFCCVEGCSA-N -1 3 302.352 1.688 20 5 DDBDHM CCN(CC(C)(C)O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736514396 598895738 /nfs/dbraw/zinc/89/57/38/598895738.db2.gz YCYVMPAXTMZTFL-UHFFFAOYSA-N -1 3 306.326 1.372 20 5 DDBDHM CCN(CC(C)(C)O)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736514396 598895739 /nfs/dbraw/zinc/89/57/39/598895739.db2.gz YCYVMPAXTMZTFL-UHFFFAOYSA-N -1 3 306.326 1.372 20 5 DDBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000738375387 598978304 /nfs/dbraw/zinc/97/83/04/598978304.db2.gz ZZHWKAUJMBFMDF-KWQFWETISA-N -1 3 319.325 1.133 20 5 DDBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[C@@H]2O)c(-c2nn[n-]n2)c1 ZINC000738375387 598978306 /nfs/dbraw/zinc/97/83/06/598978306.db2.gz ZZHWKAUJMBFMDF-KWQFWETISA-N -1 3 319.325 1.133 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736333264 598774589 /nfs/dbraw/zinc/77/45/89/598774589.db2.gz UXZWGHRLZJYPCI-SDBXPKJASA-N -1 3 321.341 1.379 20 5 DDBDHM CC[C@H](C)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736333264 598774591 /nfs/dbraw/zinc/77/45/91/598774591.db2.gz UXZWGHRLZJYPCI-SDBXPKJASA-N -1 3 321.341 1.379 20 5 DDBDHM COc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826208274 607542218 /nfs/dbraw/zinc/54/22/18/607542218.db2.gz BZWSCBRYIVFMSR-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM COc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826208274 607542220 /nfs/dbraw/zinc/54/22/20/607542220.db2.gz BZWSCBRYIVFMSR-UHFFFAOYSA-N -1 3 301.266 1.028 20 5 DDBDHM C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739186587 602786380 /nfs/dbraw/zinc/78/63/80/602786380.db2.gz SZFFRSAMMHVIRI-NWDGAFQWSA-N -1 3 323.349 1.952 20 5 DDBDHM O=[N+]([O-])c1ccc(NC2(CO)CCCC2)c(-c2nnn[n-]2)c1 ZINC000823639852 606227553 /nfs/dbraw/zinc/22/75/53/606227553.db2.gz JBTGYYZGKMDTML-UHFFFAOYSA-N -1 3 304.310 1.492 20 5 DDBDHM O=[N+]([O-])c1ccc(NC2(CO)CCCC2)c(-c2nn[n-]n2)c1 ZINC000823639852 606227554 /nfs/dbraw/zinc/22/75/54/606227554.db2.gz JBTGYYZGKMDTML-UHFFFAOYSA-N -1 3 304.310 1.492 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826330059 607868638 /nfs/dbraw/zinc/86/86/38/607868638.db2.gz DCYLIYMDGOEWQV-NSHDSACASA-N -1 3 315.293 1.013 20 5 DDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826330059 607868639 /nfs/dbraw/zinc/86/86/39/607868639.db2.gz DCYLIYMDGOEWQV-NSHDSACASA-N -1 3 315.293 1.013 20 5 DDBDHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000192709748 697637165 /nfs/dbraw/zinc/63/71/65/697637165.db2.gz PBKIPQOKLQNWIE-UHFFFAOYSA-N -1 3 323.334 1.307 20 5 DDBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000775466783 697999604 /nfs/dbraw/zinc/99/96/04/697999604.db2.gz RRWSFZNOCDDBHO-UHFFFAOYSA-N -1 3 315.282 1.842 20 5 DDBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc2nnnn2c1 ZINC000759056974 700735775 /nfs/dbraw/zinc/73/57/75/700735775.db2.gz HNWVWZLSKBTULD-UHFFFAOYSA-N -1 3 320.215 1.563 20 5 DDBDHM CC(F)(F)CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000831686862 706753738 /nfs/dbraw/zinc/75/37/38/706753738.db2.gz CASFGPXXSHFDSC-UHFFFAOYSA-N -1 3 300.308 1.980 20 5 DDBDHM COc1cc(N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000910459043 709953920 /nfs/dbraw/zinc/95/39/20/709953920.db2.gz WSDFVMZKXRUQBA-NSHDSACASA-N -1 3 323.349 1.589 20 5 DDBDHM