smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCCNC1=O 73855621 XNCVEMJXXXTFLG-GFCCVEGCSA-N 307.306 0.759 5 40 DCBB NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3ccccc3[nH]2)c1=O 40543264 GTMBSKORRRWUBX-UHFFFAOYSA-N 313.273 0.780 5 40 DCBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 13007963 NHDVYFQUHXOAFP-ZWNMCFTASA-N 310.331 0.911 5 40 DCBB CCOC(=O)C(NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCC 25972971 ZZPFKMCXVQKNPW-UHFFFAOYSA-N 314.250 0.412 5 40 DCBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]c1=O 21866541 UNCORGPFUFOVTP-GFCCVEGCSA-N 303.274 0.747 5 40 DCBB CCn1ncc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])c1C(N)=O 2781157 HXAQAXZEEREBLT-UHFFFAOYSA-N 321.297 0.204 5 40 DCBB CS(=O)(=O)N1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 95435708 QDZRFACKRJEPBJ-LBPRGKRZSA-N 313.379 0.966 5 40 DCBB NC(=O)c1ccc(Sc2nc(O)cc(=O)[nH]2)c([N+](=O)[O-])c1 16384437 PWTOOGBEOSMZPY-UHFFFAOYSA-N 308.275 0.634 5 40 DCBB O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1Cc2ccccc2O1 52616063 AUQPNOJNVKYNOX-NSHDSACASA-N 302.290 0.911 5 40 DCBB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1nccc1[N+](=O)[O-] 54447679 UMQJVJQQIIHGSY-CYBMUJFWSA-N 315.333 0.922 5 40 DCBB CNC(=O)[C@@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 26564816 SLSPHUUYXAAKFK-SSDOTTSWSA-N 310.262 0.657 5 40 DCBB Cc1nn(Cc2nc3c4cn[nH]c4ncn3n2)c(C)c1[N+](=O)[O-] 17052319 CMGKVBYFMCWTJY-UHFFFAOYSA-N 313.281 0.770 5 40 DCBB CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 3244199 BLVNTRSVJXLVRR-IUCAKERBSA-N 323.305 0.990 5 40 DCBB COC(=O)c1c(I)c([N+](=O)[O-])nn1C 72339433 BEHIFYDUQPJGJH-UHFFFAOYSA-N 311.035 0.720 5 40 DCBB O=C(CCn1ccc([N+](=O)[O-])n1)NCCCN1CCCC1=O 2774992 LNRBITOMVASRIM-UHFFFAOYSA-N 309.326 0.310 5 40 DCBB CN(C)C(=O)C(C)(C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 69631655 TXUVXIQCHNJPBR-UHFFFAOYSA-N 315.351 0.740 5 40 DCBB Cn1cc([N+](=O)[O-])c(C(=O)n2cc(Br)cn2)n1 1063412 KZBZPLWHTKOEGA-UHFFFAOYSA-N 300.072 0.976 5 40 DCBB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 100063277 RAYRYKXJKVRUSN-OZTPJHRESA-N 316.269 0.400 5 40 DCBB Cc1nonc1NC(=O)OCC1([N+](=O)[O-])COC(C)(C)OC1 3169272 LASSAPJEPMVOGZ-UHFFFAOYSA-N 316.270 0.725 5 40 DCBB CCn1c(=N)c(C(=O)NC)cc2c(=O)n3cc(C)ccc3nc21 16742588 BVOYDKHCPHJKLA-UHFFFAOYSA-N 311.345 0.817 5 40 DCBB CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575420767 KLPAAPGXVUILPI-RYUDHWBXSA-N 300.336 0.185 5 40 DCBB CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 35132916 SHCOVKSOXGYHHA-UHFFFAOYSA-N 321.742 0.663 5 40 DCBB Cc1nn2c(=O)/c(=C/c3ccc([N+](=O)[O-])s3)sc2nc1=O 13625266 RAESBDJWCFMNCL-DAXSKMNVSA-N 322.327 0.337 5 40 DCBB CCCn1c(=N)c(C(N)=O)cc2c(=O)n3cccc(C)c3nc21 100093598 YWMKFJYPIHLSSK-UHFFFAOYSA-N 311.345 0.946 5 40 DCBB Cn1nnnc1Sc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 3446126 HBOCUNUTVMNUIL-UHFFFAOYSA-N 315.336 0.673 5 40 DCBB CN(C)C[C@H](O)Cn1cc(Nc2ccncc2[N+](=O)[O-])cn1 70009293 NBWJZUYBUGEHJG-NSHDSACASA-N 306.326 0.852 5 40 DCBB NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 5425789 WXHBKYUEQMLUCW-UHFFFAOYSA-N 322.277 0.841 5 40 DCBB Cc1c(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cccc1[N+](=O)[O-] 2711217 QNJVKJZFXOHIFT-UHFFFAOYSA-N 318.289 0.553 5 40 DCBB COCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O 9422251 DRNLPFDLGJNVLZ-UHFFFAOYSA-N 301.306 0.252 5 40 DCBB CC(=O)Nc1cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C 236554 XCHICLGUYBZUPZ-UHFFFAOYSA-N 313.317 0.447 5 40 DCBB CNC(=O)[C@@H]1CCCN1C(=O)CNc1ccc([N+](=O)[O-])cc1F 69518534 JDDHVTUYDBAPQP-LBPRGKRZSA-N 324.312 0.883 5 40 DCBB Cn1cc(Br)c(C(=O)n2cc([N+](=O)[O-])cn2)n1 1436755 OBMFHTVXSCLPCL-UHFFFAOYSA-N 300.072 0.976 5 40 DCBB CCC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 6818706 YAONTEFKHKYMHI-UHFFFAOYSA-N 313.317 0.529 5 40 DCBB O=C(N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 14314459 DGMXXPCDCSIUJS-UHFFFAOYSA-N 321.337 0.564 5 40 DCBB O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCNC1=O 32778963 SFJVDELEGGQKIW-UHFFFAOYSA-N 306.234 0.055 5 40 DCBB O=c1nc(O)[n+]2c3n(c4ccc(C(F)(F)F)cc4nc1-3)CC2 38306937 MBICRJLCHDHKFN-UHFFFAOYSA-O 309.227 0.922 5 40 DCBB O=C1C[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)C(=O)N1 69704969 WJURQVBLGMQGKY-LLVKDONJSA-N 321.264 0.754 5 40 DCBB Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(N)=O)cc1C 60499853 JZTPKSVEBMDPDD-UHFFFAOYSA-N 301.324 0.317 5 40 DCBB Nc1nccnc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 22242742 YFNHWQVPUXGMNH-SNVBAGLBSA-N 303.278 0.430 5 40 DCBB C[C@H]1CN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 58018687 PLKMDUBDGLRVEU-QWRGUYRKSA-N 311.342 0.017 5 40 DCBB NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5694562 PEKAWONVWVFPSZ-UHFFFAOYSA-N 309.278 0.074 5 40 DCBB Cc1c(OCc2cc(=O)n(C)c(=O)n2C)cccc1[N+](=O)[O-] 59012351 JKPYBNFHUNVGQZ-UHFFFAOYSA-N 305.290 0.880 5 40 DCBB CCN1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 1473253 PQQUDVDKLTZLEZ-AWEZNQCLSA-N 309.366 0.972 5 40 DCBB Cc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1[N+](=O)[O-] 101675636 WNPODPRYUDORGA-SNVBAGLBSA-N 302.250 0.873 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N(C)C 8774679 YKPUKKBATPNYID-UHFFFAOYSA-N 315.351 0.612 5 40 DCBB O=[N+]([O-])c1ccc([C@@H](O)CNc2ccc3nnnn3n2)cc1 8851430 ZMXHHJDIVSPVJY-JTQLQIEISA-N 301.266 0.573 5 40 DCBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOCC1 32401333 QHWWGRCEEUQOEZ-UHFFFAOYSA-N 302.308 0.624 5 40 DCBB in-vitro CN1CCN(C[C@@H](O)CN(C)c2ccccc2[N+](=O)[O-])CC1 71893783 DEDGGCZKNCMOTB-ZDUSSCGKSA-N 308.382 0.639 5 40 DCBB O=C(CCCN1C(=O)CNC1=O)OCc1cccc([N+](=O)[O-])c1 14167720 FTASVIALPIOFTM-UHFFFAOYSA-N 321.289 0.970 5 40 DCBB Cn1c(=O)c2cn(-c3cccc([N+](=O)[O-])c3)cc2n(C)c1=O 206339 HIFYVFPWUORGIC-UHFFFAOYSA-N 300.274 0.936 5 40 DCBB O=C(CCN1C(=O)CCC1=O)NCc1ccc([N+](=O)[O-])cc1 55797780 PQTXQBYCTUXCAK-UHFFFAOYSA-N 305.290 0.750 5 40 DCBB CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 5637579 RROQODCMZSASRX-UHFFFAOYSA-N 316.383 0.867 5 40 DCBB CNS(=O)(=O)c1ccc(NCC2(O)CCC2)c([N+](=O)[O-])c1 69623756 OLTNRLPXAXDERU-UHFFFAOYSA-N 315.351 0.830 5 40 DCBB NC(=O)[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CCO1 66465684 GWOYQYJGWJZQDI-VIFPVBQESA-N 308.319 0.895 5 40 DCBB CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 89598388 NGPPYDAGXVLFRW-SCZZXKLOSA-N 320.392 0.986 5 40 DCBB COC(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2684939 ZPJYCLUUBNHEJO-UHFFFAOYSA-N 304.236 0.450 5 40 DCBB Cc1nn(C)c(C)c1CN(C)C(=O)c1c([N+](=O)[O-])cnn1C 2778916 GTEIGHSIFRLXDH-UHFFFAOYSA-N 306.326 0.951 5 40 DCBB CC(=O)N[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O 1782762 CFKZKLOBRPCKTF-SSDOTTSWSA-N 313.222 0.340 5 40 DCBB CCN1CCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])CC1 5032876 HRGQSMQPPQREES-UHFFFAOYSA-N 321.385 0.709 5 40 DCBB CCCNC(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 32819249 WSXXYVSBULPIEU-UHFFFAOYSA-N 323.305 0.622 5 40 DCBB CS(=O)(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)OC[C@@H](CO)O1 96531675 LKSAUXOSKQCQIG-VXGBXAGGSA-N 317.319 0.200 5 40 DCBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)nn1 22689095 RASICDFCCANYPQ-NSHDSACASA-N 304.262 0.554 5 40 DCBB Cn1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C(N)=O 31840109 PNDDPLYOSKNCFW-UHFFFAOYSA-N 304.262 0.077 5 40 DCBB C[C@@H]1C[C@@H](C)CN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C1 5148548 MKYFUESMLOFAMS-RKDXNWHRSA-N 310.358 0.854 5 40 DCBB NC(=O)C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 6507930 SHWCDUAHENIDDO-UHFFFAOYSA-N 306.322 0.731 5 40 DCBB CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 24978548 WUDNPUSTLPHGIU-DTWKUNHWSA-N 323.305 0.990 5 40 DCBB C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 40460745 UHSUMUIYYBWTRX-ZDUSSCGKSA-N 312.347 0.831 5 40 DCBB CCOC(=O)C1=C(C)N=C(NN)N[C@@H]1c1ccc([N+](=O)[O-])cc1 408732127 SIYWZBQLHBDOSD-GFCCVEGCSA-N 319.321 0.896 5 40 DCBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1N 21741941 PTELEIBCEWNURJ-SSDOTTSWSA-N 324.293 0.568 5 40 DCBB CNC(=O)CN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] 45683261 KKCYDCYVVKFNIE-UHFFFAOYSA-N 308.338 0.915 5 40 DCBB NC(=O)[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] 69780639 RCIUKCRYFPKRFL-GFCCVEGCSA-N 306.322 0.873 5 40 DCBB O=C(c1ccccc1)[C@@H]1CN2CN3CN1C[C@@]([N+](=O)[O-])(C2)C3 19339450 XITRGBYWPOZLMP-DZGCQCFKSA-N 302.334 0.115 5 40 DCBB CCOC(=O)c1cc(C(=O)O[C@H](C)C(N)=O)cc([N+](=O)[O-])c1 25051261 ZRLCVQRXKLDATN-SSDOTTSWSA-N 310.262 0.802 5 40 DCBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(N)=O 5708642 XFEODEZQNZDVPO-VIFPVBQESA-N 323.305 0.462 5 40 DCBB CSC[C@@](C)(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 77105380 OOLJVTDXPSCEKC-NSHDSACASA-N 320.392 0.987 5 40 DCBB O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 12139529 NOWXTBJKXVUEJR-WCBMZHEXSA-N 317.279 0.073 5 40 DCBB Cn1c(COc2ccc([N+](=O)[O-])cc2F)cc(=O)n(C)c1=O 59011679 DYOYWKFSLVTXAG-UHFFFAOYSA-N 309.253 0.710 5 40 DCBB COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 83881749 SJEKXKDHRGZLFP-GXTWGEPZSA-N 321.333 0.758 5 40 DCBB COC(=O)C(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 95433732 ZAKIWVLRZHGEAP-UHFFFAOYSA-N 316.335 0.966 5 40 DCBB O=[N+]([O-])c1ccc(NNCNNc2ccc([N+](=O)[O-])cn2)nc1 17302224 GKEZREJXUBCKTO-UHFFFAOYSA-N 320.269 0.784 5 40 DCBB CCC(=O)NCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4681523 QPTKRNPEJHGKIF-UHFFFAOYSA-N 315.351 0.708 5 40 DCBB Cc1ccnc(N2CCCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] 80947145 DUADWCBXOARVIB-UHFFFAOYSA-N 321.381 0.899 5 40 DCBB CC(=O)NCCNC(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-] 13159909 PVGFSYYVGSQDRT-UHFFFAOYSA-N 323.305 0.312 5 40 DCBB COC(=O)CCC(CCC(=O)OC)(CCC(=O)OC)[N+](=O)[O-] 14909860 FORHCCKVQQRGBQ-UHFFFAOYSA-N 319.310 0.862 5 40 DCBB NC(=O)CN1CCCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 40555038 CQIPLUXTJYGMTF-UHFFFAOYSA-N 321.337 0.620 5 40 DCBB Cn1c(COc2cccc([N+](=O)[O-])c2N)cc(=O)n(C)c1=O 71890985 OLWWKNIMPBWIBO-UHFFFAOYSA-N 306.278 0.153 5 40 DCBB Cc1ccc(S(=O)(=O)NC(=O)c2[nH]cnc2[N+](=O)[O-])cc1 1414363 FJYNQESBPBDAFZ-UHFFFAOYSA-N 310.291 0.745 5 40 DCBB COc1cc(S(=O)(=O)NC(C)(C)CO)ccc1[N+](=O)[O-] 95461772 PZIQDTKGAFVGGY-UHFFFAOYSA-N 304.324 0.653 5 40 DCBB CCOC(=O)COC(=O)c1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 12413381 XEUQNERRCPHZHI-UHFFFAOYSA-N 313.222 0.805 5 40 DCBB O=C(C[C@@H](NCCCO)C(=O)O)Nc1cccc([N+](=O)[O-])c1 4280073 YMPYQWKLYNVAIR-LLVKDONJSA-N 311.294 0.349 5 40 DCBB CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575423093 YACHULVDAIXQQN-OLZOCXBDSA-N 314.363 0.575 5 40 DCBB CCOC(=O)COc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1475674 CHAIMYYZHKZYEP-UHFFFAOYSA-N 303.292 0.940 5 40 DCBB CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 24978543 WUDNPUSTLPHGIU-RKDXNWHRSA-N 323.305 0.990 5 40 DCBB O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 40167204 FVORPSABWHZDEJ-ZJUUUORDSA-N 313.360 0.455 5 40 DCBB CCCCN1C[C@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2C(=O)O)C1 100142108 QKFINPPWOFXKNK-CHWSQXEVSA-N 313.310 0.938 5 40 DCBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]c1=O 21866537 UNCORGPFUFOVTP-LBPRGKRZSA-N 303.274 0.747 5 40 DCBB O=C1SCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4419272 HBIUDLXJJXHWCR-SECBINFHSA-N 302.333 0.905 5 40 DCBB CS(=O)(=O)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 78824217 UUCTYTSDEQNYEX-UHFFFAOYSA-N 311.323 0.771 5 40 DCBB CC(C)N[C@@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)O 65090361 KTVXFUVTNAPNMT-JTQLQIEISA-N 310.310 0.957 5 40 DCBB CN1C(=O)C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 18190612 QMHHUMVWKTUANT-ZDUSSCGKSA-N 318.333 0.474 5 40 DCBB CC1=C(C(N)=O)C(c2cccc([N+](=O)[O-])c2)C(C(N)=O)=C(C)N1 19418608 YQBCYYIUYZZDOS-UHFFFAOYSA-N 316.317 0.800 5 40 DCBB O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 67937752 QBNAXEZEDMHHJP-IYSWYEEDSA-N 302.084 0.741 5 40 DCBB CNC(=O)[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] 69626841 FYPVTBNYHQAWAT-GFCCVEGCSA-N 306.322 0.744 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCC[C@@H]1O 72293716 NHFJTFMWGHWQDA-JQWIXIFHSA-N 309.322 0.424 5 40 DCBB Cc1cc(N2C[C@H](O)[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 72310955 KRWSCPAZQKTRGK-BETUJISGSA-N 316.317 0.902 5 40 DCBB CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)CC1 5032679 ATPOZTVPLKSEJP-UHFFFAOYSA-N 321.385 0.709 5 40 DCBB CCc1nn(C)c(N2CCS(=O)(=O)[C@@H](C)C2)c1[N+](=O)[O-] 97142349 VSQXVPDCBJUFCA-QMMMGPOBSA-N 302.356 0.514 5 40 DCBB O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3022598 JLBFXFJVOSXWBX-UHFFFAOYSA-N 321.205 0.132 5 40 DCBB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc([N+](=O)[O-])cc1 13734874 NTRGOHCGEGYDKY-VIFPVBQESA-N 302.250 0.708 5 40 DCBB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 226628391 LKKZWDCIUPUKAE-OXIQGZBJSA-N 316.269 0.400 5 40 DCBB O=[N+]([O-])c1ccc(-n2ncc(-c3nnn[nH]3)n2)c([N+](=O)[O-])c1 16385893 ZNDXTGURLNGMCD-UHFFFAOYSA-N 303.198 0.264 5 40 DCBB O=[N+]([O-])c1ccc(NCCN[C@H]2CCS(=O)(=O)C2)c(F)c1 69421170 WFWFZGAUKBBYAH-VIFPVBQESA-N 317.342 0.923 5 40 DCBB COC(=O)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 3887826 WXJAIHGZUZSDDI-UHFFFAOYSA-N 304.280 0.055 5 40 DCBB Nc1nc(N2CCOCC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 4306194 OTUVTDZHRMNPIX-VIFPVBQESA-N 324.341 0.395 5 40 DCBB C[C@H]1CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 12539898 XJCNCMUMUZEHTK-DTORHVGOSA-N 312.278 0.980 5 40 DCBB CN1CCN(CC[C@@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1 20405111 GBOHLOVZXPKZEE-ZDUSSCGKSA-N 320.349 0.932 5 40 DCBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)CC1 35264055 BSHPXMVOKFPSRW-LLVKDONJSA-N 320.349 0.487 5 40 DCBB CCN(CC(=O)NC(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 40161766 ZGYYTBDETHKUJZ-UHFFFAOYSA-N 324.337 0.130 5 40 DCBB CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 35288648 YBABOQIVPJEBGM-UHFFFAOYSA-N 314.367 0.573 5 40 DCBB CCN(CC)C(=O)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 58161864 IJKDLQKVRCICAL-UHFFFAOYSA-N 310.358 0.828 5 40 DCBB O=C(COc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCS(=O)(=O)C1 4141379 QAJFXTGCQNBGRQ-LLVKDONJSA-N 315.303 0.704 5 40 DCBB C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O 4763115 XVVUGNDGMVOWSK-CVRLDPAZSA-N 301.320 0.514 5 40 DCBB COC(=O)C1=C[C@H](O)[C@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1 5080749 JJMQZAYOQCSLOO-XHVZSJERSA-N 311.246 0.109 5 40 DCBB Cc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1[N+](=O)[O-] 408596350 SCWROTNIHNKZEO-RUDMXATFSA-N 305.246 0.881 5 40 DCBB CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] 65535412 TYNHLIYRVLVMNR-AWEZNQCLSA-N 320.349 0.990 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C)S(C)(=O)=O 10331404 SLGWBCJUICNZKI-UHFFFAOYSA-N 315.351 0.757 5 40 DCBB Cc1c([N+](=O)[O-])cnn1CCC(=O)N(C)Cc1ccnn1C 2793378 AJGULBGYIYFWJT-UHFFFAOYSA-N 306.326 0.882 5 40 DCBB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C[C@]23C=C[C@H]1O3 3882566 OABSTQQVOABLJC-NWJSVONSSA-N 316.269 0.966 5 40 DCBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 4032016 NJSTXRVJFPFPGA-SECBINFHSA-N 314.319 0.277 5 40 DCBB CCN(C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O)C1CC1 47368915 UDGYATGZKBMZJJ-UHFFFAOYSA-N 323.305 0.554 5 40 DCBB Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1NS(C)(=O)=O 65478510 HRUPVDOICHDFDF-GXSJLCMTSA-N 313.335 0.970 5 40 DCBB Nc1nc(NCC(=O)O)nc(NCc2ccco2)c1[N+](=O)[O-] 9192472 DHEFBMRFQCYPSG-UHFFFAOYSA-N 308.254 0.669 5 40 DCBB Cc1ccnc(N(C)C[C@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-] 96406529 GCUPVDGLLCMQIB-ZDUSSCGKSA-N 323.397 0.343 5 40 DCBB O=C1N=c2ccc(F)cc2=C1NNc1ccccc1[N+](=O)[O-] 104031135 NGWCSNFPTHVXLW-UHFFFAOYSA-N 300.249 0.619 5 40 DCBB Nc1nc(O)c([N+](=O)[O-])c(-c2cccc(S(=O)(=O)O)c2)n1 5479335 ITLIGYCKLAMYLL-UHFFFAOYSA-N 312.263 0.586 5 40 DCBB Cc1c(F)cc(S(=O)(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] 97097128 SYTIEEDXHGBNFZ-UHFFFAOYSA-N 317.342 0.977 5 40 DCBB NC(=O)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 3490881 LCRXSWFKKVPJJR-UHFFFAOYSA-N 307.306 0.698 5 40 DCBB Cn1c(O)nc2nnc(-c3ccc([N+](=O)[O-])cc3)nc2c1=O 18219261 WUFYYGMFIMTSBE-UHFFFAOYSA-N 300.234 0.399 5 40 DCBB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 169616403 RAYRYKXJKVRUSN-ASHKBJFXSA-N 316.269 0.400 5 40 DCBB Cn1nnnc1SCC(=O)NCc1ccc(O)c([N+](=O)[O-])c1 22118196 WAAXWBWCIRFRPT-UHFFFAOYSA-N 324.322 0.232 5 40 DCBB O=C1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCN1 6083792 FOMNBNCBNOIPSQ-UHFFFAOYSA-N 312.713 0.619 5 40 DCBB CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(N)=O)n1N 70462407 LEFMSKIPSROPNX-UHFFFAOYSA-N 308.323 0.713 5 40 DCBB O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCOCO1 89768197 BENYGKSMGAIHOO-QMMMGPOBSA-N 320.298 0.775 5 40 DCBB Nn1c(=O)c(-c2ccccc2)nn2c(=O)c3ccccc3nc12 162447 WLIAVOZUORCGAX-UHFFFAOYSA-N 305.297 0.785 5 40 DCBB O=C(NCCc1cccnc1)NCCn1cc([N+](=O)[O-])cn1 96480925 KGDYZRYTPMMZGT-UHFFFAOYSA-N 304.310 0.728 5 40 DCBB C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1 180497 DZMBBZMMJIGDGQ-JTQLQIEISA-N 319.403 0.781 5 40 DCBB CC(=O)N1CCN(C(=O)COc2cccnc2[N+](=O)[O-])CC1 7544890 SMCBXOQBZOANAI-UHFFFAOYSA-N 308.294 0.059 5 40 DCBB CCCn1c(=N)c(C(N)=O)cc2c(=O)n3cc(C)ccc3nc21 100810695 PTWTXFWMZQKQHX-UHFFFAOYSA-N 311.345 0.946 5 40 DCBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 1447115 YXTCWXHQMWQXQG-JTQLQIEISA-N 307.306 0.572 5 40 DCBB CCn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)n1 57316410 XTDDJQOJMWPHOL-UHFFFAOYSA-N 321.322 0.728 5 40 DCBB O=c1[nH]c2ccc([N+](=O)[O-])cc2n1C[C@H]1CCS(=O)(=O)C1 40166763 KESPXRPSTVWZLS-MRVPVSSYSA-N 311.319 0.673 5 40 DCBB COCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)C(N)=O 71879534 JBUOLCPVGXFDFC-JTQLQIEISA-N 309.322 0.866 5 40 DCBB CN1C=C(C(=O)NCC[N+]2(C)CCOCC2)C=C/C1=C/N=O 33896329 ZITUEDYNASUNOX-KAMYIIQDSA-O 307.374 0.573 5 40 DCBB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 13027759 IASFTKWVULIFKI-VIFPVBQESA-N 300.292 0.833 5 40 DCBB Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] 22914044 IASHZVFSPKEJBM-UHFFFAOYSA-N 306.366 0.880 5 40 DCBB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-] 20715756 TUZZKIFBHBHDSN-SECBINFHSA-N 302.250 0.708 5 40 DCBB O=C(NC[C@@H]1CCCO1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12360641 FOLILKPXXJUVFF-QMMMGPOBSA-N 322.281 0.131 5 40 DCBB O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1cccc([N+](=O)[O-])c1 2649140 WFWFEWITENYEOY-SNVBAGLBSA-N 307.262 0.355 5 40 DCBB NC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 78988854 PVZOEJHJDJBEBO-SNVBAGLBSA-N 313.697 0.575 5 40 DCBB O=C1C[C@@H](N2CCC(O)CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 215705382 AROHXPHPBZKOAF-CYBMUJFWSA-N 319.317 0.683 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[C@@H]1O 72293717 NHFJTFMWGHWQDA-PWSUYJOCSA-N 309.322 0.424 5 40 DCBB O=C(NCCNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1 7871433 KJDIXYAWVYTRLD-UHFFFAOYSA-N 315.289 0.545 5 40 DCBB COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1[N+](=O)[O-] 408589043 DLKGYZOFASTJRJ-XBXARRHUSA-N 321.245 0.581 5 40 DCBB COCCOCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48305881 SJQKXZVFVZRUIM-UHFFFAOYSA-N 323.349 0.906 5 40 DCBB Cc1cc(C(=O)NCC(=O)O[C@H]2CCOC2=O)ccc1[N+](=O)[O-] 7159330 CGBNXXWSZQTDKH-NSHDSACASA-N 322.273 0.492 5 40 DCBB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 32643818 PATJTXPBTUBAGU-LLVKDONJSA-N 313.335 0.957 5 40 DCBB O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCOCC1 256049282 ZETPBAQVHJPUSJ-UHFFFAOYSA-N 319.277 0.710 5 40 DCBB O=C(O)CCn1nc([N+](=O)[O-])cc1I 953109617 YENYXJAKWMQNFK-UHFFFAOYSA-N 311.035 0.871 5 40 DCBB C[C@H]1C[C@H](C)CN(c2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])C1 5157004 IAOKPQVOTFSBDN-YUMQZZPRSA-N 324.341 0.946 5 40 DCBB CN(C)c1ccc2[nH]c3c(C(=O)O)cc(=O)c(=O)c=3oc2c1 5318205 DNLNTLLPAVLFLS-UHFFFAOYSA-N 300.270 0.970 5 40 DCBB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 33911799 LKKZWDCIUPUKAE-MCYUEQNJSA-N 316.269 0.400 5 40 DCBB CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCO 4526248 BGFUKSVZOYYYBJ-UKTHLTGXSA-N 307.306 0.570 5 40 DCBB CN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C 4974809 WEVVXJBKXNTRSH-UHFFFAOYSA-N 304.306 0.629 5 40 DCBB CN1CCN(C[C@@H](O)CN(C)c2ncccc2[N+](=O)[O-])CC1 71893787 AJKVBAGLVRIDQC-LBPRGKRZSA-N 309.370 0.034 5 40 DCBB C[C@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1 180498 DZMBBZMMJIGDGQ-SNVBAGLBSA-N 319.403 0.781 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[C@H]1O 72293719 NHFJTFMWGHWQDA-ZYHUDNBSSA-N 309.322 0.424 5 40 DCBB COC(=O)c1cc(C(=O)O[C@H]2CCOC2=O)cc([N+](=O)[O-])c1 3286790 ICBBDXREWSCONJ-JTQLQIEISA-N 309.230 0.854 5 40 DCBB O=C(NC1CC1)[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 45749437 NEHSHOQQVJQYSK-LLVKDONJSA-N 307.310 0.061 5 40 DCBB CCOC(CNc1nc(N)n(C)c(=O)c1[N+](=O)[O-])OCC 4114238 UOPDYRMFLJLWFM-UHFFFAOYSA-N 301.303 0.082 5 40 DCBB CCOC(=O)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 37565040 ILLAKTDAYRAANB-UHFFFAOYSA-N 318.307 0.445 5 40 DCBB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 4727630 LPHDSEQVFZWRNR-SNVBAGLBSA-N 314.319 0.921 5 40 DCBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCCNC1=O 73855625 XNCVEMJXXXTFLG-LBPRGKRZSA-N 307.306 0.759 5 40 DCBB CNC(=O)[C@H]1CCCN1C(=O)CNc1ncccc1[N+](=O)[O-] 69629858 KNXZKXKTSQQJKU-SNVBAGLBSA-N 307.310 0.139 5 40 DCBB Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccn3)CC2)n1 18162246 NHWRYPXSPXRRNH-UHFFFAOYSA-N 316.321 0.686 5 40 DCBB Nc1nonc1OCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 45206858 NZUHTHCPLWIPTG-UHFFFAOYSA-N 310.226 0.959 5 40 DCBB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])cn1 71904563 AWBRKPZLEWYTQI-VXGBXAGGSA-N 307.354 0.877 5 40 DCBB CC(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 24978529 WUDNPUSTLPHGIU-BDAKNGLRSA-N 323.305 0.990 5 40 DCBB Cc1nn(C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] 58213746 OZCDPGUILVXMLZ-GBIKHYSHSA-N 312.370 0.878 5 40 DCBB CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 69774493 LGEKCLZTMBCHCJ-JTQLQIEISA-N 301.324 0.383 5 40 DCBB Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2cc(Cl)cn2)n1 2778739 VGXWBMUYXFPBDE-UHFFFAOYSA-N 312.717 0.998 5 40 DCBB CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)CC1 5032473 KGWDJFVUIYBGHQ-UHFFFAOYSA-N 307.358 0.319 5 40 DCBB O=C(O)CN1C[C@@]2([N+](=O)[O-])CC=C(Cl)[C@]([N+](=O)[O-])(C1)C2 100093932 NYIRDBZKDUVJMT-NXEZZACHSA-N 305.674 0.334 5 40 DCBB CN(C)C[C@@H](O)Cn1cc(Nc2ccncc2[N+](=O)[O-])cn1 70009296 NBWJZUYBUGEHJG-LLVKDONJSA-N 306.326 0.852 5 40 DCBB O=[N+]([O-])c1ccc([C@H](O)CNc2ccc3nnnn3n2)cc1 8851428 ZMXHHJDIVSPVJY-SNVBAGLBSA-N 301.266 0.573 5 40 DCBB CN1CCN(C(=O)[C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)CC1 71904123 JHDGFGFOMQYDLP-NSHDSACASA-N 322.369 0.071 5 40 DCBB COc1ccc(O[C@@H](C)C(=O)N2CCNC2=O)c([N+](=O)[O-])c1 7771891 QIEBBZGRLYFBRL-QMMMGPOBSA-N 309.278 0.923 5 40 DCBB Cc1nc(N2CCOCC2)c([N+](=O)[O-])c(N2CCOCC2)n1 5509926 JPDRVHXYSVQSTI-UHFFFAOYSA-N 309.326 0.366 5 40 DCBB Cn1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 9064368 GZKVXIOVUMHALY-UHFFFAOYSA-N 317.309 0.971 5 40 DCBB NC(=O)NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3504966 HSJFNTARQAGHPX-UHFFFAOYSA-N 301.642 0.600 5 40 DCBB CN1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)CC1 8091747 REYFSCSEDZRVTR-UHFFFAOYSA-N 307.306 0.526 5 40 DCBB CC(C)NC(=O)NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 3505303 LRVPMITVFMGGJG-UHFFFAOYSA-N 309.278 0.986 5 40 DCBB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 100063280 RAYRYKXJKVRUSN-JUFZMCDQSA-N 316.269 0.400 5 40 DCBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)n2ncnc2N1 540901 UIXPLSNPHWUTPL-QMMMGPOBSA-N 320.240 0.789 5 40 DCBB C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 4300119 YIPAKASBYKHFOB-IUCAKERBSA-N 315.351 0.856 5 40 DCBB CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 5688401 RACDCDDWZDLKEU-UHFFFAOYSA-N 301.324 0.546 5 40 DCBB COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 12417556 GEKGMABQPJKCJL-LLVKDONJSA-N 314.319 0.921 5 40 DCBB CCOC(=O)c1cc(C(=O)NCCNC(C)=O)cc([N+](=O)[O-])c1 22756439 SRMMVDVLDZICNO-UHFFFAOYSA-N 323.305 0.637 5 40 DCBB O=C(Cn1cnc([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 26124808 VZXHIASETPEEKA-UHFFFAOYSA-N 316.321 0.535 5 40 DCBB C[C@@H]1O[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@H]1O 239377982 OIXCBKIWQLOFTQ-RYIKZVKKSA-N 318.713 0.488 5 40 DCBB Cc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1[N+](=O)[O-] 3319030 FAQLWUKBNIDVRI-UHFFFAOYSA-N 308.290 0.919 5 40 DCBB COCCNC(=O)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] 67541823 FZJNGSUEYCAONM-UHFFFAOYSA-N 311.294 0.096 5 40 DCBB O=C1[C@H]2[C@@H]3C[C@H]([C@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100674243 DRDIELJJGFXSFB-PJGZEUCASA-N 318.285 0.072 5 40 DCBB CC(=O)O[C@H]1[C@@H]([N+](C)(C)C)CC[C@@H](OC(C)=O)[C@H]1[N+](C)(C)C 4548725 TVFVTFAELUPCTQ-JJXSEGSLSA-N 316.442 0.793 5 40 DCBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(N)=O 5008298 VUUPUWOSZDHQIN-UHFFFAOYSA-N 323.334 0.880 5 40 DCBB Cc1cc(N[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])cc1C 3999709 MEJQLABEQDUQTJ-CNJBRALLSA-N 312.322 0.451 5 40 DCBB biogenic O=c1c([N+](=O)[O-])c(N(CCO)CC2CC2)nc2ccccn12 78988791 GPEPHELENLDUDF-UHFFFAOYSA-N 304.306 0.811 5 40 DCBB Cc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1[N+](=O)[O-] 40508488 KLYAQGWCVWGFOR-UHFFFAOYSA-N 301.324 0.733 5 40 DCBB CNc1ncnc(Sc2nc(N)nc3[nH]cnc23)c1[N+](=O)[O-] 8565029 URIYRDCSAYRGKI-UHFFFAOYSA-N 319.310 0.826 5 40 DCBB in-vitro CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1N 21741944 PTELEIBCEWNURJ-ZETCQYMHSA-N 324.293 0.568 5 40 DCBB O=c1c2cnn(CCO)c2ncn1Cc1ccc([N+](=O)[O-])cc1 4940528 JEVCIDJKOIHNJB-UHFFFAOYSA-N 315.289 0.542 5 40 DCBB COC(=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)c1ccccc1[N+](=O)[O-] 3040462 KTSATNYJOVLCHN-OLZOCXBDSA-N 324.289 0.877 5 40 DCBB CCOC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5584185 MRVIEOXGUNFGTF-UHFFFAOYSA-N 307.306 0.807 5 40 DCBB C(CCC[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2 38664865 HKQMWSYPBZQCRU-UHFFFAOYSA-N 308.514 0.839 5 40 DCBB O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@H]2C1 75106490 FPDOQKJULFZIGL-NSHDSACASA-N 305.294 0.836 5 40 DCBB CCOC(=O)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 15443241 KDSPKMTYGAFAJU-UHFFFAOYSA-N 323.349 0.886 5 40 DCBB O=C(Cn1ccccc1=O)NCCNc1ccc([N+](=O)[O-])cc1 8175481 ASSRNIBYTCDHNL-UHFFFAOYSA-N 316.317 0.985 5 40 DCBB Cc1cc2nc3c(=O)n(CC(=O)O)c(=O)nc-3n(C)c2cc1C 57386 GJSCQGXLPDWOMG-UHFFFAOYSA-N 314.301 0.296 5 40 DCBB in-vitro CCOc1cc(C(=O)OCC(=O)NC)c([N+](=O)[O-])cc1OC 7568169 QZCKILYRBCABKA-UHFFFAOYSA-N 312.278 0.905 5 40 DCBB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 169616402 RAYRYKXJKVRUSN-OXIQGZBJSA-N 316.269 0.400 5 40 DCBB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C[C@@]23C=C[C@H]1O3 100314522 OABSTQQVOABLJC-ZAZJYDDPSA-N 316.269 0.966 5 40 DCBB Nc1nccnc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 10085083 XFFFHDJPDPQUIY-UHFFFAOYSA-N 302.294 0.809 5 40 DCBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 13007961 NHDVYFQUHXOAFP-SGUJLRQBSA-N 310.331 0.911 5 40 DCBB CC(C)c1nnc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)o1 32831924 SWPNFUTYRDXZSX-UHFFFAOYSA-N 307.266 0.902 5 40 DCBB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 12566959 SKFFVTDFZRLOAP-UHFFFAOYSA-N 321.318 0.991 5 40 DCBB N=c1sc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2n1N 16383585 LZOGHUWYLOAXHD-UHFFFAOYSA-N 307.251 0.656 5 40 DCBB COC(=O)C1(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1[N+](=O)[O-] 3037803 HDMQXVNDRKQUII-NXEZZACHSA-N 324.245 0.670 5 40 DCBB O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 44966759 UAJIZCVAGXJPMM-OLZOCXBDSA-N 311.382 0.803 5 40 DCBB Cc1ccnc(N(C)C[C@@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-] 96406530 GCUPVDGLLCMQIB-CYBMUJFWSA-N 323.397 0.343 5 40 DCBB O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 44966763 UAJIZCVAGXJPMM-CHWSQXEVSA-N 311.382 0.803 5 40 DCBB Nc1nc(NC[C@@H]2CCCO2)nc(N2CCOCC2)c1[N+](=O)[O-] 5215891 QJPPJSHNMZJLBA-VIFPVBQESA-N 324.341 0.395 5 40 DCBB CS(=O)(=O)N(c1cc([N+](=O)[O-])ccc1F)S(C)(=O)=O 32911333 FMNCWLZUNMZSGW-UHFFFAOYSA-N 312.300 0.460 5 40 DCBB CC(C)(C)c1nc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)no1 31813266 DWRYKOCVSXGJJH-UHFFFAOYSA-N 321.293 0.584 5 40 DCBB Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])c(O)nc2=O)cc1 73966824 NMBZPUGKFAMJJY-UHFFFAOYSA-N 318.289 0.482 5 40 DCBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1 75141531 IWWVQVGJSHQBEW-AGIUHOORSA-N 324.358 0.650 5 40 DCBB O=C(Nc1cc(O)nc2ncnn12)c1ccc([N+](=O)[O-])cc1 9087494 HZJOQRRGUAXAFL-UHFFFAOYSA-N 300.234 0.990 5 40 DCBB biogenic CC(=O)[C@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 102969557 GDWGCHQDHZKFNW-VIFPVBQESA-N 321.201 0.151 5 40 DCBB CN1CCN(C[C@H](O)CN(C)c2ncccc2[N+](=O)[O-])CC1 71893786 AJKVBAGLVRIDQC-GFCCVEGCSA-N 309.370 0.034 5 40 DCBB O=c1c2ccsc2ncn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 96435709 ZSLBNOPMXINSJL-VIFPVBQESA-N 321.318 0.624 5 40 DCBB CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 32770669 XEYDORSZWRHDKV-UHFFFAOYSA-N 321.742 0.615 5 40 DCBB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] 10746592 KOAZYZVUUKUTSO-SNVBAGLBSA-N 313.335 0.542 5 40 DCBB Cc1ccc(C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 6934817 OWJCGNVBPZSNQF-UHFFFAOYSA-N 318.289 0.114 5 40 DCBB CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409193677 KQONIHZHXCAOMB-XVNBXDOJSA-N 308.206 0.731 5 40 DCBB O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@@H]2C1 75106488 FPDOQKJULFZIGL-LLVKDONJSA-N 305.294 0.836 5 40 DCBB C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 66579598 KTVKGPMIURUBAG-ZETCQYMHSA-N 317.352 0.615 5 40 DCBB Cc1cc(C(=O)OCCNS(C)(=O)=O)ccc1[N+](=O)[O-] 69738194 TXUQYBABLLKZTQ-UHFFFAOYSA-N 302.308 0.609 5 40 DCBB CN1CCN(C(=O)[C@@H]2CCCN2c2ccncc2[N+](=O)[O-])CC1 79052528 DJBUWUYUYVUWJI-ZDUSSCGKSA-N 319.365 0.733 5 40 DCBB CCCNC(=O)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N 40555302 ZHAWRHAZQSJPLY-ZETCQYMHSA-N 312.301 0.961 5 40 DCBB CCn1ncc([N+](=O)[O-])c1C(=O)NCCn1cc([N+](=O)[O-])cn1 2782173 UCRNDCCFGVTIAF-UHFFFAOYSA-N 323.269 0.346 5 40 DCBB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100172088 LKKZWDCIUPUKAE-JUFZMCDQSA-N 316.269 0.400 5 40 DCBB CCN(CC(=O)NC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 46034377 HJOOWVZQHXGXOE-UHFFFAOYSA-N 315.351 0.660 5 40 DCBB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1 39649428 JMJMJDNHVXYAOC-MNOVXSKESA-N 310.262 0.751 5 40 DCBB in-vitro CC(=O)NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7141178 UCUCKSRBJUTBSL-UHFFFAOYSA-N 320.349 0.770 5 40 DCBB COc1ccc([N+](=O)[O-])cc1C1OCC(CO)([N+](=O)[O-])CO1 3616985 SDUSWHVFLIPORE-UHFFFAOYSA-N 314.250 0.657 5 40 DCBB C[C@H]1CN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])CCN1 4953445 RFYJCBNJKKAPRV-ZETCQYMHSA-N 310.266 0.999 5 40 DCBB COC(=O)[C@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 8390393 UKGSPTILOWOKQU-VIFPVBQESA-N 324.289 0.819 5 40 DCBB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 33911800 LKKZWDCIUPUKAE-OXJKWZBOSA-N 316.269 0.400 5 40 DCBB CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(NS(C)(=O)=O)c1 16248546 DTGZAUDFEFFZTJ-UHFFFAOYSA-N 309.325 0.338 5 40 DCBB N[C@H](CCC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1)C(=O)O 4521527 AHFFWTMLFDZSOF-MRVPVSSYSA-N 311.250 0.424 5 40 DCBB CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 89598387 NGPPYDAGXVLFRW-WPRPVWTQSA-N 320.392 0.986 5 40 DCBB COCCNC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 2462274 GXGLMIKTBQPKPW-UHFFFAOYSA-N 321.131 0.625 5 40 DCBB CS(=O)(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 32923709 KTJYAAZWEXBTRD-SNVBAGLBSA-N 314.367 0.755 5 40 DCBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1c2ccccc2C[C@H]1O 96449099 IWWVTEHOAUFTRD-HIFRSBDPSA-N 316.317 0.956 5 40 DCBB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 408731063 KESXOGSZLYFDRL-SNVBAGLBSA-N 310.266 0.965 5 40 DCBB COC(=O)c1cc(C(=O)O[C@@H]2CCOC2=O)cc([N+](=O)[O-])c1 3286791 ICBBDXREWSCONJ-SNVBAGLBSA-N 309.230 0.854 5 40 DCBB Nc1ncnc2c1ncn2S(=O)(=O)c1cccc([N+](=O)[O-])c1 19142033 YYRZWRZFXQXUCS-UHFFFAOYSA-N 320.290 0.554 5 40 DCBB Cn1c(O)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n(C)c1=O 3189159 DOGLLXNWSZBKLF-UHFFFAOYSA-N 322.233 0.273 5 40 DCBB O=C(O)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 95389816 YSGZZIJLBJIVJT-UHFFFAOYSA-N 310.262 0.961 5 40 DCBB CN(C[C@H](O)CN1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 252498013 QTVNSLHEJXSJOD-LBPRGKRZSA-N 313.329 0.863 5 40 DCBB COC(=O)C1(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1[N+](=O)[O-] 3037799 HDMQXVNDRKQUII-VHSXEESVSA-N 324.245 0.670 5 40 DCBB CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCOCC2)n1 20028528 XVQAJZWTNNYIRT-JTQLQIEISA-N 311.342 0.262 5 40 DCBB COc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1[N+](=O)[O-] 9460184 NJWCUSUNKUOVEG-QMMMGPOBSA-N 316.291 0.197 5 40 DCBB CNC(=O)[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 26564819 SLSPHUUYXAAKFK-ZETCQYMHSA-N 310.262 0.657 5 40 DCBB Cc1c(CN(C)CCNS(C)(=O)=O)cccc1[N+](=O)[O-] 71904671 NWHXEMJCPMRGER-UHFFFAOYSA-N 301.368 0.884 5 40 DCBB Cn1ncc2c(N(N)CCO)nc(-c3ccc([N+](=O)[O-])o3)nc21 1674782 IMHHGFOVFPDOAZ-UHFFFAOYSA-N 319.281 0.204 5 40 DCBB CC1=NN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@](O)(C(F)(F)F)C1 998593 XINHRELBYJRQRL-VIFPVBQESA-N 321.215 0.801 5 40 DCBB CCOc1ccccc1CNc1[nH]c(=O)n(C)c(=O)c1[N+](=O)[O-] 4114212 MUQDGLJIPPVFMB-UHFFFAOYSA-N 320.305 0.993 5 40 DCBB O=C1CC(=O)OC(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)O1 59488730 CKRIFIDMFFAQEH-UHFFFAOYSA-N 322.273 0.920 5 40 DCBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)[nH]1 27055715 WKFODEFLQJQSTR-UHFFFAOYSA-N 318.289 0.683 5 40 DCBB Nc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 7141090 KJPLPRYAQRZMCO-UHFFFAOYSA-N 309.278 0.193 5 40 DCBB O=C(NC1CC1)[C@@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 134892972 BUDFPABIGUCOON-JTQLQIEISA-N 316.321 0.885 5 40 DCBB Cc1c([N+](=O)[O-])c(C(=O)NCCCN2CCCC2=O)nn1C 2781728 SETCODHRKNWSAT-UHFFFAOYSA-N 309.326 0.379 5 40 DCBB NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517585 OLIFDVJRECUYJH-QMMMGPOBSA-N 312.238 0.634 5 40 DCBB in-vitro COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1F 95993527 HYJXSTSPIPRCON-KCJUWKMLSA-N 312.253 0.482 5 40 DCBB Cc1c(CN(C)C(=O)CCn2ccc([N+](=O)[O-])n2)cnn1C 2781240 RWBZLLSFAWONDY-UHFFFAOYSA-N 306.326 0.882 5 40 DCBB CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 13613701 GAPYNXKMJJMWJE-UHFFFAOYSA-N 306.366 0.962 5 40 DCBB CC(=O)N[C@@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899692 SDTVKGSMFQVLAM-NSHDSACASA-N 309.278 0.903 5 40 DCBB NC(=O)[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 69813141 FQAATSNPBMOXNF-SNVBAGLBSA-N 306.322 0.731 5 40 DCBB COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 83881748 SJEKXKDHRGZLFP-JSGCOSHPSA-N 321.333 0.758 5 40 DCBB CCN1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1=O 33181105 QWWZPVYBCOEJTG-NSHDSACASA-N 320.349 0.991 5 40 DCBB COC(=O)[C@H]1CN(C)[C@]2(C1)C(=O)Nc1ccc([N+](=O)[O-])cc12 34929106 VNLBTYAGIUJLSH-CLAHSXSESA-N 305.290 0.867 5 40 DCBB Cc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1[N+](=O)[O-] 44908452 OOIVIGWISLTPJI-UHFFFAOYSA-N 321.333 0.882 5 40 DCBB O=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1 409041642 KGMKTWYSCXXENL-FLIBITNWSA-N 318.289 0.612 5 40 DCBB NC(=O)c1cc([N+](=O)[O-])cn(CCCN2CCCCC2)c1=O 195576194 DUKKVTNBKAZSDE-UHFFFAOYSA-N 308.338 0.731 5 40 DCBB CCOc1cc(CNn2nnnc2N)cc([N+](=O)[O-])c1OCC 12411431 RXZIJDZDYYISLM-UHFFFAOYSA-N 323.313 0.705 5 40 DCBB O=c1n(CCn2cc([N+](=O)[O-])cn2)nnn1-c1cccs1 80613714 KKGZARWZJILHTN-UHFFFAOYSA-N 307.295 0.295 5 40 DCBB Cc1nn(CC(=O)N(C)Cc2cnn(C)c2)c(C)c1[N+](=O)[O-] 25044632 JJXVFTZPNSXBOS-UHFFFAOYSA-N 306.326 0.800 5 40 DCBB O=[N+]([O-])c1ccc(CNCCN[C@@H]2CCS(=O)(=O)C2)cc1 575421050 MQKAFCMOWBRVLI-GFCCVEGCSA-N 313.379 0.461 5 40 DCBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 5111639 LDTIBLNRMVGPCA-UHFFFAOYSA-N 309.374 0.565 5 40 DCBB O=[N+]([O-])c1ccccc1N1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21 40167158 VILMUVXGZSXRGQ-XVKPBYJWSA-N 313.360 0.455 5 40 DCBB Cc1cc(C(=O)O[C@@H](C)CNS(C)(=O)=O)ccc1[N+](=O)[O-] 79106913 HPNXKTJIPURXOY-VIFPVBQESA-N 316.335 0.998 5 40 DCBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cnc2[nH]nnc2c1 95942852 HIASGIUQARHBRD-UHFFFAOYSA-N 317.265 0.623 5 40 DCBB Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)NCc1ccco1 9513564 FZACDDJSENROOS-UHFFFAOYSA-N 306.278 0.573 5 40 DCBB Cc1nn(C)cc1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C 2778231 YLHVDMFJQMXNAR-UHFFFAOYSA-N 306.326 0.951 5 40 DCBB COc1ccc(O[C@H](C)C(=O)N2CCNC2=O)c([N+](=O)[O-])c1 7771895 QIEBBZGRLYFBRL-MRVPVSSYSA-N 309.278 0.923 5 40 DCBB COC(=O)CN1CCO[C@H](COc2ccc([N+](=O)[O-])cc2)C1 217503199 QNWRPCDNOZXCOY-ZDUSSCGKSA-N 310.306 0.847 5 40 DCBB Nc1cc(N2CCN(CCO)CC2)c([N+](=O)[O-])cc1Cl 19418823 OTLXKRFPOWCOAZ-UHFFFAOYSA-N 300.746 0.945 5 40 DCBB O=[N+]([O-])c1ccc(NC(=S)N2CCN(CCO)CC2)cc1 20478571 HHFOASWLVZXCCW-UHFFFAOYSA-N 310.379 0.902 5 40 DCBB Nc1nc(NC[C@H]2CCCO2)nc(N2CCOCC2)c1[N+](=O)[O-] 5215889 QJPPJSHNMZJLBA-SECBINFHSA-N 324.341 0.395 5 40 DCBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](O)C1 33014449 HVFIUXLZYBSJGK-VIFPVBQESA-N 301.324 0.203 5 40 DCBB CS(=O)(=O)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 22530442 KWXWTHXEMRZLHT-UHFFFAOYSA-N 300.340 0.462 5 40 DCBB COc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 48210801 ADUXJQFIWCCKMP-UHFFFAOYSA-N 305.294 0.554 5 40 DCBB Cc1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 11999660 XQUNMYBCXMMTJB-SNVBAGLBSA-N 319.360 0.864 5 40 DCBB C[C@H](C(=O)NC1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 22195965 VXCIYOYLOVVBCK-LLVKDONJSA-N 319.365 0.779 5 40 DCBB CC(C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F 521394138 VYTLGGUKUWUXAT-UWVGGRQHSA-N 324.259 0.855 5 40 DCBB O=C(COc1ncnc2cc([N+](=O)[O-])ccc12)N1CCOCC1 3443403 GQGIDZYGPWKRML-UHFFFAOYSA-N 318.289 0.776 5 40 DCBB Cc1nn(CC(=O)NC(=O)c2cccn2C)c(C)c1[N+](=O)[O-] 7735759 PTYQZNWKYYMPNL-UHFFFAOYSA-N 305.294 0.703 5 40 DCBB Nc1nc(NCC(=O)O)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 9210489 OZHTWYLJSQNTEL-ZCFIWIBFSA-N 312.286 0.054 5 40 DCBB Nc1nc(N)nc(CN2CCCc3c2cccc3[N+](=O)[O-])n1 94005736 ORAGVNSAQMCBPK-UHFFFAOYSA-N 301.310 0.897 5 40 DCBB O=[N+]([O-])c1ccccc1NCCNc1ccc2nnnn2n1 12634324 YGPOPPNSVQNDRG-UHFFFAOYSA-N 300.282 0.952 5 40 DCBB CCN(CC(=O)NC(C)C)C(=O)COc1cccnc1[N+](=O)[O-] 8725976 KQOVLMLBZFLQJP-UHFFFAOYSA-N 324.337 0.742 5 40 DCBB COC(=O)CSC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 59383464 NISPXLPWPNOLNY-UHFFFAOYSA-N 316.316 0.950 5 40 DCBB Cc1cccc(C(=O)OCC(=O)N2CCOCC2)c1[N+](=O)[O-] 3495081 FZVXVOVTFWMBEU-UHFFFAOYSA-N 308.290 0.919 5 40 DCBB O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1[N+](=O)[O-] 100495019 VYODUSSCTYJRDH-UHFFFAOYSA-N 301.123 0.808 5 40 DCBB O=C(O)CCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 19999050 UULRERSOYMARGV-UHFFFAOYSA-N 306.271 0.877 5 40 DCBB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])c2)C1 24746210 TUOXNDUDIXBTQC-SNVBAGLBSA-N 310.310 0.593 5 40 DCBB C[C@H](NC(N)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 3258513 DVOULZZXFGDYMC-YUMQZZPRSA-N 324.293 0.522 5 40 DCBB CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 14240209 GYFBKTVNJGHPDG-LLVKDONJSA-N 312.347 0.783 5 40 DCBB Nc1nonc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 13371028 KETBODBVFPHHKD-UHFFFAOYSA-N 307.222 0.356 5 40 DCBB CS(=O)(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 49321918 YXPKUFWJSLVIDN-SECBINFHSA-N 300.340 0.826 5 40 DCBB CCOC(=O)c1cc(C(=O)O[C@@H](C)C(N)=O)cc([N+](=O)[O-])c1 25051257 ZRLCVQRXKLDATN-ZETCQYMHSA-N 310.262 0.802 5 40 DCBB CC(C)(O)C(C)(C)OB(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 169980291 WAFFONZNUUQPNA-UHFFFAOYSA-N 312.087 0.757 5 40 DCBB CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 14240211 GYFBKTVNJGHPDG-NSHDSACASA-N 312.347 0.783 5 40 DCBB CN(CCNS(C)(=O)=O)CCc1ccc([N+](=O)[O-])cc1 71904664 MFVHIMHXHKZRBE-UHFFFAOYSA-N 301.368 0.618 5 40 DCBB O=C(O)CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 408593296 MHDBLOXFKCLERY-XVNBXDOJSA-N 307.218 0.278 5 40 DCBB NC(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1=O 225963639 MCEGNAOOXPDBNN-UHFFFAOYSA-N 318.245 0.002 5 40 DCBB O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2c(c1)OCO2 4743856 QGAGFXZXJPIBLN-UHFFFAOYSA-N 304.262 0.836 5 40 DCBB C[C@H]1CN=C(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)S1 89941285 FZEXETLLLXPKCT-NSHDSACASA-N 324.410 0.900 5 40 DCBB O=C(CSc1nncc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 7415582 COVOCZAUHPFDEA-UHFFFAOYSA-N 307.291 0.804 5 40 DCBB CN1CCN(c2sc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 4363508 NUDSKJHOEIWFFQ-UHFFFAOYSA-N 306.369 0.056 5 40 DCBB Cc1cc(S(=O)(=O)N[C@@H]2CCNC2)cc([N+](=O)[O-])c1F 95996588 UKHPJKGXFNTYSR-MRVPVSSYSA-N 303.315 0.683 5 40 DCBB CN(C)C(=O)Cc1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1 32831927 PNQGYVYAQWAPPO-UHFFFAOYSA-N 322.346 0.892 5 40 DCBB O=c1[nH]cc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(=O)[nH]1 9356560 XPKVCGDIPJKRRY-UHFFFAOYSA-N 324.640 0.905 5 40 DCBB COC(=O)[C@@H]1CN(C)[C@]2(C1)C(=O)Nc1ccc([N+](=O)[O-])cc12 34929107 VNLBTYAGIUJLSH-RTHLEPHNSA-N 305.290 0.867 5 40 DCBB COC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(O)C1 5356534 LDCHGAHYGHKMCI-ZDUSSCGKSA-N 307.262 0.678 5 40 DCBB O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)ccc1Cl 1514638 NGWUZGSHJOZWRB-GWOFURMSSA-N 304.686 0.099 5 40 DCBB COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1 5080752 JJMQZAYOQCSLOO-IRUJWGPZSA-N 311.246 0.109 5 40 DCBB C[C@@H]1C[C@@H](C)CN(c2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])C1 5157008 IAOKPQVOTFSBDN-HTQZYQBOSA-N 324.341 0.946 5 40 DCBB NC(=O)NCCCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 5972805 UOUCCTPAMFEHLT-UHFFFAOYSA-N 324.293 0.525 5 40 DCBB Cn1c(=O)c2[nH]c(-c3ccccc3[N+](=O)[O-])nc2n(C)c1=O 1556746 KNYQVLUUOXITIT-UHFFFAOYSA-N 301.262 0.536 5 40 DCBB O=C1SCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4419273 HBIUDLXJJXHWCR-VIFPVBQESA-N 302.333 0.905 5 40 DCBB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 20562888 ISXCHLBXFCPQDX-VIFPVBQESA-N 318.282 0.972 5 40 DCBB O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1CCCC1=O 5958520 WQOOZCPQGKPYJQ-UHFFFAOYSA-N 306.274 0.830 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1C 9141284 HBZVRDWJUKGYRI-UHFFFAOYSA-N 324.322 0.858 5 40 DCBB Nc1nc(N2CCCCC2)nc(N2CCOCC2)c1[N+](=O)[O-] 4306431 DDJPIDKIGRRYDI-UHFFFAOYSA-N 308.342 0.794 5 40 DCBB O=C(O)CCn1cc(I)c([N+](=O)[O-])n1 72339431 SOOGNIVIFIHIEB-UHFFFAOYSA-N 311.035 0.871 5 40 DCBB O=C(NC1CC1)[C@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 134892953 BUDFPABIGUCOON-SNVBAGLBSA-N 316.321 0.885 5 40 DCBB O=C(NC1CC1)[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 45749438 NEHSHOQQVJQYSK-NSHDSACASA-N 307.310 0.061 5 40 DCBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCSCC1 52360940 JXMIBENYROYSCV-UHFFFAOYSA-N 303.365 0.795 5 40 DCBB O=CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 19931663 OMYMPKWXWBCVJL-UHFFFAOYSA-N 313.335 0.199 5 40 DCBB Cc1c([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCOCC2)nn1C 22239120 KHRPAIYJKFJWDT-SECBINFHSA-N 311.342 0.087 5 40 DCBB O=[N+]([O-])c1ccc(CN[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 27988220 BOSNOWVJSWVYIL-SECBINFHSA-N 315.307 0.780 5 40 DCBB NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)nc2)c1=O 31812839 PRYQMVBQOPPXFA-UHFFFAOYSA-N 308.681 0.952 5 40 DCBB COC(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)c([N+](=O)[O-])c1 26508899 HQCLFOLCDUGNPF-UHFFFAOYSA-N 310.266 0.699 5 40 DCBB O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc(-c3cccs3)n2)c1 193400868 BRZUPPPPFVWVDP-VIFPVBQESA-N 321.322 0.567 5 40 DCBB O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@H](O)CO)c([N+](=O)[O-])c1 104160993 LEEUBRSBSFSCOR-ZCFIWIBFSA-N 303.183 0.143 5 40 DCBB CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 21015398 CCHNMHJIODTHDL-SNVBAGLBSA-N 302.308 0.982 5 40 DCBB Cc1noc(CN2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)n1 69654024 NRTZWDNAPHVHRU-UHFFFAOYSA-N 321.341 0.650 5 40 DCBB C[N+]1(C)CCN(c2ccc(N3CC[N+](C)(C)CC3)nn2)CC1 3145133 IQFVBNKZDSFCJF-UHFFFAOYSA-N 306.458 0.269 5 40 DCBB Cn1cncc1CCNc1nc2ccccn2c(=O)c1[N+](=O)[O-] 97108382 CEEUHUGEOBWVPB-UHFFFAOYSA-N 314.305 0.991 5 40 DCBB C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H](c4cc5c(cc4C1)OCO5)[C@@H]32 4426490 ZCLCRBMIHQMBMN-ZZEGOCACSA-N 302.350 0.893 5 40 DCBB NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 12558176 DZKHAZOUDWKBNE-MRVPVSSYSA-N 301.324 0.833 5 40 DCBB COc1cc(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc(OC)c1OC 32932537 XJYFAMBMSSUIEC-ZJUUUORDSA-N 310.306 0.994 5 40 DCBB Cn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)n1 57316409 QCLWLDLKAIMRNM-UHFFFAOYSA-N 307.295 0.245 5 40 DCBB NC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc(Cl)n2)c1=O 72304109 ZHJZMDJAXJDYJW-UHFFFAOYSA-N 308.681 0.952 5 40 DCBB CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 89598386 NGPPYDAGXVLFRW-PSASIEDQSA-N 320.392 0.986 5 40 DCBB CN1CCN(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 19312299 YUKQVOKNXZOCLA-UHFFFAOYSA-N 300.340 0.036 5 40 DCBB C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C1 13811305 DUSXPQNWBUQICT-DTORHVGOSA-N 310.358 0.854 5 40 DCBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(N)=O 5708644 XFEODEZQNZDVPO-SECBINFHSA-N 323.305 0.462 5 40 DCBB O=C(c1ccccc1)[C@@H]1CN2CN3CN1C[C@]([N+](=O)[O-])(C2)C3 19327611 XITRGBYWPOZLMP-ZFWWWQNUSA-N 302.334 0.115 5 40 DCBB O=C(O[C@@H]1CCOC1=O)c1cc([N+](=O)[O-])ccc1NCCO 12557599 WGQVMZFKCFZJKK-LLVKDONJSA-N 310.262 0.471 5 40 DCBB CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 5137833 PZKPCEZXBUQFBF-UHFFFAOYSA-N 309.374 0.787 5 40 DCBB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 36397510 JQOOJICGXGIUJT-VIFPVBQESA-N 316.273 0.448 5 40 DCBB O=C(NCCCO)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 13570368 BOKLGRKGFZSNPQ-LLVKDONJSA-N 308.338 0.705 5 40 DCBB CN(C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCCCC1 48245175 UBVRSPJJSCFYTB-UHFFFAOYSA-N 324.385 0.957 5 40 DCBB O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1n[nH]c(=O)[nH]1 72292563 UHWADDRUKNMXMY-UHFFFAOYSA-N 305.294 0.759 5 40 DCBB Cn1nc(C(=O)NCCNc2ccccc2[N+](=O)[O-])ccc1=O 12554587 NROYLHLOMCWMTA-UHFFFAOYSA-N 317.305 0.530 5 40 DCBB CC1(C)N=C(N)N=C(NCCCOc2ccc([N+](=O)[O-])cc2)N1 1577779 MOZANNGWWCMKHH-UHFFFAOYSA-N 320.353 0.963 5 40 DCBB Nc1nc(NCc2ccccc2)nc(NCCO)c1[N+](=O)[O-] 5151062 XOMAQQHDZULQBS-UHFFFAOYSA-N 304.310 0.983 5 40 DCBB COC(=O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 30690967 XUQFZKPCYZWSQZ-UHFFFAOYSA-N 309.278 0.004 5 40 DCBB C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 24986441 YDKPHEKDIDUHDI-LLVKDONJSA-N 321.333 0.962 5 40 DCBB O=C1CCC([N+](=O)[O-])([N+](=O)[O-])c2nn(-c3ccccc3)nc21 19288343 FVZXBINTNNOUAY-UHFFFAOYSA-N 303.234 0.950 5 40 DCBB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]13)O2 100917810 OABSTQQVOABLJC-MCYUEQNJSA-N 316.269 0.966 5 40 DCBB CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 6588853 MDUZEQFNYQWSDT-UHFFFAOYSA-N 313.335 0.448 5 40 DCBB CCOC(=O)C1=C(C)N=C(NN)N[C@@H]1c1ccc([N+](=O)[O-])o1 408732341 UTHNLQWPEIQOQS-SNVBAGLBSA-N 309.282 0.489 5 40 DCBB C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 4300120 YIPAKASBYKHFOB-RKDXNWHRSA-N 315.351 0.856 5 40 DCBB COC(=O)C1CCN(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 8985871 ZHYIEERKXILISE-UHFFFAOYSA-N 324.337 0.820 5 40 DCBB Cc1nn(CCn2nc3ccccn3c2=O)c(C)c1[N+](=O)[O-] 31838253 GMVQRJYSNCJWDY-UHFFFAOYSA-N 302.294 0.918 5 40 DCBB C[C@@H]1CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 2627489 XJCNCMUMUZEHTK-RKDXNWHRSA-N 312.278 0.980 5 40 DCBB O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1Cc2ccccc2O1 52616059 AUQPNOJNVKYNOX-LLVKDONJSA-N 302.290 0.911 5 40 DCBB CS(=O)(=O)N1CC[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 95435707 QDZRFACKRJEPBJ-GFCCVEGCSA-N 313.379 0.966 5 40 DCBB Cc1c(NC(=O)CN(C)S(C)(=O)=O)cccc1[N+](=O)[O-] 22606662 LBYALCNWBUXPKG-UHFFFAOYSA-N 301.324 0.733 5 40 DCBB CCN(CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 5251499 NUXBEATVJSFLIU-UHFFFAOYSA-N 308.338 0.991 5 40 DCBB O=[N+]([O-])c1ccc(CN[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 27988225 BOSNOWVJSWVYIL-VIFPVBQESA-N 315.307 0.780 5 40 DCBB CCOC(=O)NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 7780692 IJCSPSQKQCYNLU-UHFFFAOYSA-N 311.250 0.607 5 40 DCBB COCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 24210344 PETZIGGOJZUHJW-UHFFFAOYSA-N 308.338 0.969 5 40 DCBB O=C(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)NC1CC1 70948976 XVQIBQNHXABBMU-UHFFFAOYSA-N 304.306 0.946 5 40 DCBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 1447116 YXTCWXHQMWQXQG-SNVBAGLBSA-N 307.306 0.572 5 40 DCBB C[N+]1(C[C@@H](O)COC[C@H]2COc3ccccc3O2)CCOCC1 2692815 SLJWLCJQRBGNKX-CABCVRRESA-N 324.397 0.681 5 40 DCBB O=C(CCn1ccc([N+](=O)[O-])n1)N1N=CC[C@@]1(O)C(F)(F)F 6829975 WPKBIGCLQFPYOC-SECBINFHSA-N 321.215 0.650 5 40 DCBB Nc1nc(C(=O)NC[C@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] 95468845 FBWGYPZRCXWIAF-LLVKDONJSA-N 316.317 0.905 5 40 DCBB O=C(O)Cc1cnc(COc2ccccc2[N+](=O)[O-])[nH]c1=O 217387165 NYVRPHADTFCPII-UHFFFAOYSA-N 305.246 0.884 5 40 DCBB Cc1nn(C)c(C(=O)N(C)Cc2cnn(C)c2C)c1[N+](=O)[O-] 2778945 PFIDYNGNMUAXKZ-UHFFFAOYSA-N 306.326 0.951 5 40 DCBB CN1CCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 22913946 UYVKZMIMIICJME-UHFFFAOYSA-N 320.393 0.891 5 40 DCBB COc1cc(NC(=O)CN[C@@H]2CCOC2=O)c(C)cc1[N+](=O)[O-] 5950625 VFEWWCNPSCTQAS-SECBINFHSA-N 323.305 0.755 5 40 DCBB Cc1cc(NC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)n(C)n1 95414746 FSDJHATYIYDQLP-UHFFFAOYSA-N 305.294 0.746 5 40 DCBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)n2ncnc2N1 8968915 DHHWXMPXUJKXSH-VIFPVBQESA-N 302.250 0.708 5 40 DCBB CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 35276573 BMKPRZAWBKQDAC-UHFFFAOYSA-N 308.294 0.820 5 40 DCBB Cc1nn(C)c(C)c1CN1CCN(c2[nH]ncc2[N+](=O)[O-])CC1 20528405 BVWPPNWTFSNSES-UHFFFAOYSA-N 319.369 0.990 5 40 DCBB O=C1CN(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1 97162156 OEIUOLNOJSMZSR-UHFFFAOYSA-N 313.657 0.837 5 40 DCBB CCOC(=O)CCCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 8986029 ACHFKRXWHOUTMF-UHFFFAOYSA-N 312.326 0.868 5 40 DCBB O=[N+]([O-])c1ccc2nc(SC[C@@H](O)COCCO)[nH]c2c1 6382956 DDALJWJDXGRPDN-VIFPVBQESA-N 313.335 0.933 5 40 DCBB CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 32903862 URNLZLFIASMODA-MRVPVSSYSA-N 302.308 0.837 5 40 DCBB Cc1c(C(=O)NC(=S)Nc2nnn(C)n2)cccc1[N+](=O)[O-] 57316424 VLLFZIJEBAAJPP-UHFFFAOYSA-N 321.322 0.554 5 40 DCBB O=C(CCn1cnc([N+](=O)[O-])c1)NCc1nnc2ccccn12 25065987 LJHAIIDKCSKEIC-UHFFFAOYSA-N 315.293 0.541 5 40 DCBB O=C(Nc1cc(=O)[nH]c2ncnn12)c1cccc([N+](=O)[O-])c1 9356587 YHLJMQHIJMLDBL-UHFFFAOYSA-N 300.234 0.578 5 40 DCBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(N)=O 7985481 WUMSOUXRLJYAOD-RXMQYKEDSA-N 315.669 0.988 5 40 DCBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCC(=O)N2)c([N+](=O)[O-])c1 4985557 HECVXHRVCBMXLA-JTQLQIEISA-N 321.289 0.664 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)CN(C)C1=O 8192651 KYLYJYLBVSTNRN-UHFFFAOYSA-N 306.278 0.736 5 40 DCBB CC(C)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(N)=O 69844585 JYQJBBSKDXDLKH-LLVKDONJSA-N 315.351 0.524 5 40 DCBB COC(=O)CNC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 15911780 QVDVNORGTNQPLT-AATRIKPKSA-N 322.273 0.440 5 40 DCBB O=C(NN1CCCCC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 12428319 IYRPMVRDHJTYTP-UHFFFAOYSA-N 321.297 0.353 5 40 DCBB CCCCN1C[C@@]2([N+](=O)[O-])CC=C(C(=O)O)[C@@]([N+](=O)[O-])(C1)C2 15304005 QKFINPPWOFXKNK-OLZOCXBDSA-N 313.310 0.938 5 40 DCBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCOCC1 4421289 YXQJGWXJNJYORT-UHFFFAOYSA-N 321.333 0.904 5 40 DCBB CCn1cc(NC(=O)c2c([N+](=O)[O-])cnn2CC)c(C(N)=O)n1 2780458 DRGKVCZYQDTFEC-UHFFFAOYSA-N 321.297 0.379 5 40 DCBB O=C(O)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC1 2235783 WJHRKMZEWACLRE-GFCCVEGCSA-N 323.305 0.709 5 40 DCBB Nc1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1[N+](=O)[O-] 56908496 IWYVHFDHXRGPKW-UHFFFAOYSA-N 318.293 0.522 5 40 DCBB C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 40460746 UHSUMUIYYBWTRX-CYBMUJFWSA-N 312.347 0.831 5 40 DCBB O=C1CN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1 37326143 SPCNBWRGLJUOTE-UHFFFAOYSA-N 319.726 0.369 5 40 DCBB Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(N)=O)CC1=O 45958654 VRLJWNVYTWZUBI-JTQLQIEISA-N 306.322 0.649 5 40 DCBB O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 4505352 NGPCAMQVNDDCOL-QMMMGPOBSA-N 320.348 0.060 5 40 DCBB COC[C@@H]1CN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])CCO1 521394463 LATVRYAPDNWYTG-NSHDSACASA-N 320.309 0.422 5 40 DCBB C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 69929248 LTDVKONBBHGZKG-SKDRFNHKSA-N 320.349 0.780 5 40 DCBB O=[N+]([O-])c1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1 40167121 BPQDPYBFCMCUPC-VHSXEESVSA-N 313.360 0.455 5 40 DCBB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cccc([N+](=O)[O-])c1 40386633 VAEHEFRIJCBYAN-MRVPVSSYSA-N 316.277 0.783 5 40 DCBB O=C(O)c1cnc2nc3ncc(C(=O)O)c(O)c3cc2c1O 26459698 RGKGAKOVIXVEPQ-UHFFFAOYSA-N 301.214 0.986 5 40 DCBB Cn1cc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2=O)cn1 79021865 NEDSAHXOPMKNBC-UHFFFAOYSA-N 302.294 0.577 5 40 DCBB NC1=NC(=O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1 6606252 JSRSNAZKMRPEHR-UHFFFAOYSA-N 309.303 0.967 5 40 DCBB COc1cc(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc(OC)c1OC 32932538 XJYFAMBMSSUIEC-UWVGGRQHSA-N 310.306 0.994 5 40 DCBB CS(=O)(=O)N1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 49321926 QPFOWEASCWMKOB-VIFPVBQESA-N 300.340 0.826 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O 408549001 PEKBRTATMCWIPN-BJMVGYQFSA-N 319.273 0.969 5 40 DCBB O=C(O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4193709 COERGSYVDWLWLG-UHFFFAOYSA-N 309.278 0.246 5 40 DCBB C[C@H]1C[C@@H](C)CN(c2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])C1 5156999 IAOKPQVOTFSBDN-OCAPTIKFSA-N 324.341 0.946 5 40 DCBB CC(=O)NCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] 29530775 BLVREHHILTWHKH-UHFFFAOYSA-N 305.294 0.769 5 40 DCBB O=C(Nc1ccccc1)OCC[N+](CCO)(CCO)CCO 1586078 KNBMCSBSXWHXNF-UHFFFAOYSA-O 313.374 0.029 5 40 DCBB Cn1ncc2cnn(C[C@H](O)c3cccc([N+](=O)[O-])c3)c2c1=O 95974793 VEWBKFJOQGZBTL-LBPRGKRZSA-N 315.289 0.772 5 40 DCBB CCN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2OCCO)C1 15022450 VOOBHTXJIRJUFU-NEPJUHHUSA-N 301.299 0.040 5 40 DCBB O=C1SCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 258616 MDMRKZQCBZSDQA-SECBINFHSA-N 302.333 0.905 5 40 DCBB CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4053248 GNDCLCRFZNUKIL-UHFFFAOYSA-N 314.367 0.523 5 40 DCBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)n2ncnc2N1 9348598 QTHOSZZERJXDLK-SECBINFHSA-N 302.250 0.708 5 40 DCBB O=[N+]([O-])c1ccc(NCCN[C@H]2CCS(=O)(=O)C2)nc1 69535017 HECRXEGFQNTCQC-VIFPVBQESA-N 300.340 0.178 5 40 DCBB O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 40167202 FVORPSABWHZDEJ-NXEZZACHSA-N 313.360 0.455 5 40 DCBB COCCNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1 24210057 COYODRJWZLWYFT-UHFFFAOYSA-N 308.338 0.969 5 40 DCBB CN(C)CCNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 9485753 HLZJQQNDLHKQKP-GFCCVEGCSA-N 321.381 0.884 5 40 DCBB CCNC(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])c(N)n1 95942864 BDPNVABNHLYWDO-UHFFFAOYSA-N 311.298 0.438 5 40 DCBB CCn1cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])c(C)n2)cn1 2778125 SQQKTXYOTCKDDV-UHFFFAOYSA-N 306.326 0.975 5 40 DCBB CN(C)S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 26713697 VRXVQUDRMOHXAH-UHFFFAOYSA-N 314.367 0.523 5 40 DCBB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 20562891 ISXCHLBXFCPQDX-SECBINFHSA-N 318.282 0.972 5 40 DCBB O=C(O)CN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 408590257 GZRXWPGMXSQLAA-XBXARRHUSA-N 307.218 0.278 5 40 DCBB COC(=O)c1nn(C)c([N+](=O)[O-])c1I 72339426 LXHDLIUHVCNCJM-UHFFFAOYSA-N 311.035 0.720 5 40 DCBB CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 12935685 JGSWJHJUTFFUGM-UHFFFAOYSA-N 315.351 0.708 5 40 DCBB O=C1COc2cc([N+](=O)[O-])ccc2N1CC1(O)CCNCC1 13997746 MNQRVHOWRNGXEV-UHFFFAOYSA-N 307.306 0.435 5 40 DCBB CN1CCN(c2cc(N3CCNCC3)c([N+](=O)[O-])cc2F)CC1 4574991 GMIIGCRYMTWWJW-UHFFFAOYSA-N 323.372 0.895 5 40 DCBB CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@@H]12)[C@H](C)O 4063398 DLNWZIVYKQXLTN-UMJYHBPBSA-N 301.383 0.794 5 40 DCBB CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 15112007 CXOHINSCSDPXFZ-UHFFFAOYSA-N 301.324 0.657 5 40 DCBB COC(=O)C1(CNC(=O)Cc2ccc([N+](=O)[O-])c(N)c2)CC1 521396375 RZYBJSAJBNJOFP-UHFFFAOYSA-N 307.306 0.789 5 40 DCBB Cn1nnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1 57316401 ZWSLRDLCWZWGIX-UHFFFAOYSA-N 307.295 0.245 5 40 DCBB O=[N+]([O-])c1ccccc1NS(=O)(=O)CCN1CCOCC1 96193943 QZVLYXLXTSIFRI-UHFFFAOYSA-N 315.351 0.669 5 40 DCBB CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)OC[C@@H](CO)O1 96531655 ZFUYCAYSWLQLOF-NEPJUHHUSA-N 317.319 0.200 5 40 DCBB CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 5226092 ZVRIGXKAUDNKDM-UVTDQMKNSA-N 319.317 0.931 5 40 DCBB CCNC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 3490139 KHECIKXLSRKUQZ-UHFFFAOYSA-N 310.262 0.674 5 40 DCBB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 40386630 DVNBCEQOQIYTJZ-MRVPVSSYSA-N 316.277 0.783 5 40 DCBB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326815 MQQJSRPFDGMGGX-SECBINFHSA-N 311.269 0.968 5 40 DCBB Cc1[nH]nc(NCC(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] 6908649 ASUMNUDZEDVTDU-JTQLQIEISA-N 308.342 0.345 5 40 DCBB O=C(O)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC1 2235784 WJHRKMZEWACLRE-LBPRGKRZSA-N 323.305 0.709 5 40 DCBB CN(C)C(=O)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 69653762 LKIFWYHMKODJCL-UHFFFAOYSA-N 315.351 0.740 5 40 DCBB C[N+]1(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CCOCC1 2692817 SLJWLCJQRBGNKX-LSDHHAIUSA-N 324.397 0.681 5 40 DCBB Cc1cc(C)n(C(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)n1 523442 QETIBVOORLBHLU-UHFFFAOYSA-N 307.266 0.639 5 40 DCBB CN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(CC(F)(F)F)C1=O 71900370 OHUXTOPNZXLJKU-SECBINFHSA-N 321.259 0.844 5 40 DCBB NC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 124630037 BICOASVULRWGNK-VIFPVBQESA-N 303.315 0.750 5 40 DCBB Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(N)=O)CC1=O 45958651 VRLJWNVYTWZUBI-SNVBAGLBSA-N 306.322 0.649 5 40 DCBB COC(=O)/C=C(\C[N+](C)(C)C/C(=C\C(=O)OC)OC)OC 31924478 VXKMQWXGOLMNMK-MKICQXMISA-N 302.347 0.469 5 40 DCBB O=C1NC2=C(C(=O)N(CCO)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 4854691 LRQKZYIEDWHEJD-GFCCVEGCSA-N 318.289 0.037 5 40 DCBB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 4727629 LPHDSEQVFZWRNR-JTQLQIEISA-N 314.319 0.921 5 40 DCBB CCOC(=O)NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 5958544 PWHQLCSTFMOUKE-UHFFFAOYSA-N 310.262 0.953 5 40 DCBB O=C(c1ccc(N2CCOCC2)cc1[N+](=O)[O-])N1CCOCC1 4159877 ZMQUWMKLAYVEBL-UHFFFAOYSA-N 321.333 0.904 5 40 DCBB NC(=O)c1ccc(Sc2nc(N)cc(N)n2)c([N+](=O)[O-])c1 16384431 KVDSOVZZOMRANP-UHFFFAOYSA-N 306.307 0.799 5 40 DCBB Cc1nn(CCS(=O)(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 9114128 OQRRFSYAUMRQJT-UHFFFAOYSA-N 318.355 0.070 5 40 DCBB C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(N)=O 79388091 CDCOQBPUEOWJHQ-YFKPBYRVSA-N 316.111 0.961 5 40 DCBB CCN(CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 5250763 ABSIUCRRLHIODZ-UHFFFAOYSA-N 308.338 0.991 5 40 DCBB CC[C@@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 69811375 OIOBPYIDKHRLGF-GFCCVEGCSA-N 307.306 0.711 5 40 DCBB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1nccc1[N+](=O)[O-] 54447676 UMQJVJQQIIHGSY-ZDUSSCGKSA-N 315.333 0.922 5 40 DCBB CN[C@@H](CC(=O)N1CCc2c(OC)ccc([N+](=O)[O-])c21)C(=O)O 215738732 MUCRWOILMOHLGD-VIFPVBQESA-N 323.305 0.555 5 40 DCBB COC(=O)/C=C(/C[N+](C)(C)C/C(=C/C(=O)OC)OC)OC 4792065 VXKMQWXGOLMNMK-OXAWKVHCSA-N 302.347 0.469 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 109123428 ZNMAZCQOZLQEDI-XBXARRHUSA-N 321.245 0.366 5 40 DCBB CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@H](C)O 252693513 DLNWZIVYKQXLTN-YOPIWALVSA-N 301.383 0.794 5 40 DCBB biogenic Cc1cc(C(=O)NCC(=O)O[C@@H]2CCOC2=O)ccc1[N+](=O)[O-] 7159326 CGBNXXWSZQTDKH-LLVKDONJSA-N 322.273 0.492 5 40 DCBB Nc1nc(N2CCOCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 4306192 OTUVTDZHRMNPIX-SECBINFHSA-N 324.341 0.395 5 40 DCBB C[N+]1([O-])[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12 100133662 GSYQNAMOFFWAPF-AUQKKZDYSA-N 319.357 0.931 5 40 DCBB in-vitro CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@@H](C)O 252693512 DLNWZIVYKQXLTN-VRUQUDLLSA-N 301.383 0.794 5 40 DCBB biogenic CC(CO)(CO)Nc1ncc([N+](=O)[O-])cc1Br 95412147 IRDFDMLPPWJQBS-UHFFFAOYSA-N 306.116 0.908 5 40 DCBB CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575423096 YACHULVDAIXQQN-STQMWFEESA-N 314.363 0.575 5 40 DCBB O=C(O)CNC(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-] 3267322 TUPKFAMJKIEURT-UHFFFAOYSA-N 309.278 0.246 5 40 DCBB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1 46902112 MSXASHMDLNURIZ-SCZZXKLOSA-N 314.319 0.790 5 40 DCBB NS(=O)(=O)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 79031311 CGOKOQBBWUDEDX-UHFFFAOYSA-N 300.340 0.495 5 40 DCBB CC(=O)N[C@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 33903159 SDTVKGSMFQVLAM-LLVKDONJSA-N 309.278 0.903 5 40 DCBB CN(C)CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 181425 PMZQGQSTVUSAED-AWEZNQCLSA-N 306.322 0.923 5 40 DCBB CNC(=O)[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] 69626839 FYPVTBNYHQAWAT-LBPRGKRZSA-N 306.322 0.744 5 40 DCBB O=[N+]([O-])c1ccc(NCCNc2ccc3nnnn3n2)cc1 8710613 HHUFLUSIUJXGLK-UHFFFAOYSA-N 300.282 0.952 5 40 DCBB COCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 69564829 DDJAWVVKCJTCTM-UHFFFAOYSA-N 309.326 0.468 5 40 DCBB O=C(NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 19798034 KAASKFOHIOEMKL-UHFFFAOYSA-N 324.293 0.565 5 40 DCBB NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 71902775 WMNSBYDTQWZNFD-UHFFFAOYSA-N 300.340 0.495 5 40 DCBB CCn1cc(S(=O)(=O)Nc2cc(C)on2)c([N+](=O)[O-])n1 83843360 CAUNOIZUACXROB-UHFFFAOYSA-N 301.284 0.908 5 40 DCBB CCN(CC)CCNc1[nH][n+](=O)c2cc([N+](=O)[O-])ccc2[n+]1[O-] 104279685 IUBWKIAONFKNLZ-UHFFFAOYSA-N 323.333 0.378 5 40 DCBB CS(=O)(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 4229044 XYJXJSBHYGJPIL-UHFFFAOYSA-N 300.336 0.959 5 40 DCBB O=[N+]([O-])c1ccc2nc(SC[C@H](O)COCCO)[nH]c2c1 6382955 DDALJWJDXGRPDN-SECBINFHSA-N 313.335 0.933 5 40 DCBB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1NS(C)(=O)=O 65478499 HRUPVDOICHDFDF-KOLCDFICSA-N 313.335 0.970 5 40 DCBB CC(=O)O[C@@H]1CC[C@H]([N+](C)(C)C)[C@@H](OC(C)=O)[C@@H]1[N+](C)(C)C 15218814 TVFVTFAELUPCTQ-ZJIFWQFVSA-N 316.442 0.793 5 40 DCBB Cc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1[N+](=O)[O-] 13649250 URPPNMSGUVXROO-UHFFFAOYSA-N 313.335 0.366 5 40 DCBB CNC(=O)CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 72318882 DLQQBLCZJHHXDR-UHFFFAOYSA-N 321.337 0.490 5 40 DCBB COC(=O)[C@H](C)NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 61997059 XAHKUWCUDRLSPY-VIFPVBQESA-N 323.305 0.392 5 40 DCBB Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(=O)N(C)C)CC1 76664602 CCSUVHMYKPINQD-UHFFFAOYSA-N 307.354 0.508 5 40 DCBB O=C(c1ccco1)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 5491250 LOGUCZQPTAKPOL-UHFFFAOYSA-N 319.277 0.509 5 40 DCBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc2nsnc12 9095718 KLKHPRYBLAKLMA-UHFFFAOYSA-N 305.279 0.830 5 40 DCBB CN1C=C(C(=O)NCCC[N+]2(C)CCOCC2)C=C/C1=C/N=O 38167947 VRWYMKDCOPMPCD-QINSGFPZSA-O 321.401 0.963 5 40 DCBB C[C@H](NC(N)=O)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 3258516 DVOULZZXFGDYMC-JGVFFNPUSA-N 324.293 0.522 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)NCc1ccco1 5038979 TTWBCKFWIKGZPM-UHFFFAOYSA-N 320.261 0.376 5 40 DCBB CNC(=O)c1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1C 31840107 HJZOSUYTKHNECS-UHFFFAOYSA-N 318.289 0.338 5 40 DCBB CN1CCN(C[C@H](O)CN(C)c2ccccc2[N+](=O)[O-])CC1 71893782 DEDGGCZKNCMOTB-CYBMUJFWSA-N 308.382 0.639 5 40 DCBB O=c1c2cnn(CCO)c2ncn1Cc1cccc([N+](=O)[O-])c1 4940534 BHZLLEXEPQVHCQ-UHFFFAOYSA-N 315.289 0.542 5 40 DCBB CS(=O)(=O)NC[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 32923704 PFGMTMNVURBEKA-JTQLQIEISA-N 314.367 0.755 5 40 DCBB C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1 25147737 JJHXCVBTIFVXLH-LBPRGKRZSA-N 307.350 0.974 5 40 DCBB CS(=O)(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 47456009 HNQRDMGNHCHREE-UHFFFAOYSA-N 317.323 0.295 5 40 DCBB O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3n[nH]cc3C2)c1 566005162 VQKRBLDHPBTGBC-ZYHUDNBSSA-N 306.326 0.022 5 40 DCBB CCOCCO[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 84802718 YVWSQFLYZKSBFO-SNVBAGLBSA-N 300.315 0.349 5 40 DCBB C[C@@H]1O[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@@H]1O 239377983 OIXCBKIWQLOFTQ-WUXCAISBSA-N 318.713 0.488 5 40 DCBB Cn1c(N)c(Sc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 3218644 ZEJYKDWVCSMFKK-UHFFFAOYSA-N 308.319 0.726 5 40 DCBB COC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 2391856 GCKWEXSWALQJCS-NSHDSACASA-N 324.289 0.819 5 40 DCBB O=C(O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 408593495 QAVOPLHFBPOVAS-QPJJXVBHSA-N 307.218 0.278 5 40 DCBB COC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 32256874 BZCIAEATWKPKCM-LBPRGKRZSA-N 310.354 0.306 5 40 DCBB COC(=O)CN1CCO[C@@H](COc2ccccc2[N+](=O)[O-])C1 217500046 YCTPQDFWNCJYLB-LLVKDONJSA-N 310.306 0.847 5 40 DCBB Cc1[nH]nc(C(=O)N2CCN(c3nccn3C)CC2)c1[N+](=O)[O-] 96436946 KWSFRTQKLMIHKU-UHFFFAOYSA-N 319.325 0.322 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 408549108 PFPRZWNPKKMZFL-WEVVVXLNSA-N 321.245 0.366 5 40 DCBB O=C([C@@H]1CCS(=O)(=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 57837180 VJULWAALARRYCS-SNVBAGLBSA-N 310.331 0.919 5 40 DCBB COC(=O)Cn1c(=O)c2cc([N+](=O)[O-])ccc2n1CC(=O)OC 67341862 LYYDJEOPOQDVLE-UHFFFAOYSA-N 323.261 0.057 5 40 DCBB Cn1c(N)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 3207872 WUUCXFJSHSRNKX-UHFFFAOYSA-N 308.319 0.726 5 40 DCBB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 4199590 RAYRYKXJKVRUSN-MCYUEQNJSA-N 316.269 0.400 5 40 DCBB CC(=O)NCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4716048 QDFWDAZWYVTTPX-UHFFFAOYSA-N 301.324 0.318 5 40 DCBB CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@H](C)O 252693511 DLNWZIVYKQXLTN-IICXDKKESA-N 301.383 0.794 5 40 DCBB biogenic NC(=O)[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CCO1 66465685 GWOYQYJGWJZQDI-SECBINFHSA-N 308.319 0.895 5 40 DCBB NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 69813140 FQAATSNPBMOXNF-JTQLQIEISA-N 306.322 0.731 5 40 DCBB O=C(NCc1ccco1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 1432097 XWHSMBBMBSPEIT-UHFFFAOYSA-N 318.249 0.746 5 40 DCBB O=C(CCn1ccc([N+](=O)[O-])n1)N1N=CC[C@]1(O)C(F)(F)F 6829976 WPKBIGCLQFPYOC-VIFPVBQESA-N 321.215 0.650 5 40 DCBB CCN1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 1473254 PQQUDVDKLTZLEZ-CQSZACIVSA-N 309.366 0.972 5 40 DCBB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O 101569716 NGZUYCKWURUAMS-YFKPBYRVSA-N 307.715 0.400 5 40 DCBB O=C(Nn1cnnc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 108460 VKMYOMGYFVRPJV-UHFFFAOYSA-N 301.218 0.677 5 40 DCBB CCn1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c(C(N)=O)n1 2781197 JBVXRGRWUCECND-UHFFFAOYSA-N 321.297 0.204 5 40 DCBB Cc1sc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(C(N)=O)c1C 2081449 PIKMGYXXXIPBPZ-UHFFFAOYSA-N 324.322 0.602 5 40 DCBB O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1nccs1 12139751 PQQJXKSJELRMPB-UHFFFAOYSA-N 320.290 0.863 5 40 DCBB NC(=O)[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 52393528 LEVLBSGHPSSWKR-JTQLQIEISA-N 318.333 0.799 5 40 DCBB O=C1CN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 95455370 CVFMXTUDNORDQG-UHFFFAOYSA-N 321.337 0.538 5 40 DCBB CS(=O)(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@H](CO)O1 96531669 LKSAUXOSKQCQIG-RYUDHWBXSA-N 317.319 0.200 5 40 DCBB O=C(OCC(=O)N1CCNC1=O)c1ccc([N+](=O)[O-])c(F)c1 65547408 MWCXTKYHXFQBQD-UHFFFAOYSA-N 311.225 0.443 5 40 DCBB O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3n[nH]cc3C2)c1 566005160 VQKRBLDHPBTGBC-JQWIXIFHSA-N 306.326 0.022 5 40 DCBB O=[N+]([O-])c1c(N[C@H]2CCS(=O)(=O)C2)nc2sccn12 8216018 HZOKKSDRIDLQJF-LURJTMIESA-N 302.337 0.903 5 40 DCBB COC(=O)Cn1cc(I)c([N+](=O)[O-])n1 72339430 XQXPHDGZJYDNNZ-UHFFFAOYSA-N 311.035 0.569 5 40 DCBB CCN(CC(=O)NC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 30436149 YFHCGJZEXFZVSB-UHFFFAOYSA-N 301.324 0.351 5 40 DCBB CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 21015401 CCHNMHJIODTHDL-JTQLQIEISA-N 302.308 0.982 5 40 DCBB O=C(CN1C(=O)CSC1=O)Nc1ccc([N+](=O)[O-])cc1O 8390780 OOWRSPYFTWMUBD-UHFFFAOYSA-N 311.275 0.934 5 40 DCBB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 2635518 PJIZKILIEBHIHZ-UHFFFAOYSA-N 321.245 0.640 5 40 DCBB O=C(O[C@H]1CCOC1=O)c1cc([N+](=O)[O-])ccc1NCCO 12557600 WGQVMZFKCFZJKK-NSHDSACASA-N 310.262 0.471 5 40 DCBB COc1cc(C(=O)OCC(=O)N(C)C)c([N+](=O)[O-])cc1OC 3362587 OTCGWBRICQSZDS-UHFFFAOYSA-N 312.278 0.857 5 40 DCBB CN(C)CCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 181424 PMZQGQSTVUSAED-CQSZACIVSA-N 306.322 0.923 5 40 DCBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)CC1 95350270 WSWPFTKBPWPVNZ-UHFFFAOYSA-N 315.351 0.540 5 40 DCBB COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)C[C@H](N)C(=O)O 208215267 ATNVWKDWOLQDKH-QMMMGPOBSA-N 309.278 0.295 5 40 DCBB O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1C[C@@H]1[N+](=O)[O-] 67937751 QBNAXEZEDMHHJP-FSPLSTOPSA-N 302.084 0.741 5 40 DCBB COC(=O)/C=C(/C[N+](C)(C)C/C(=C\C(=O)OC)OC)OC 31924481 VXKMQWXGOLMNMK-NTLHZVPKSA-N 302.347 0.469 5 40 DCBB O=C(O)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1 39649426 JMJMJDNHVXYAOC-GHMZBOCLSA-N 310.262 0.751 5 40 DCBB NC(=O)C1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 10505500 PQZAXOIMGYSUJA-UHFFFAOYSA-N 306.322 0.731 5 40 DCBB Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)n1 31422 ULOVBJICSSQZEM-UHFFFAOYSA-N 315.245 0.464 5 40 DCBB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 408731058 KESXOGSZLYFDRL-JTQLQIEISA-N 310.266 0.965 5 40 DCBB CNC(=O)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 3447378 ZCDRZVMDYDUGQN-AATRIKPKSA-N 307.262 0.607 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(=O)O)CC1=O 45958667 PTDYZBOPXPMHGC-SECBINFHSA-N 323.305 0.948 5 40 DCBB CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCOCC1 22239117 RZLAWJOITQKFON-JTQLQIEISA-N 311.342 0.262 5 40 DCBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@@H]1c1ccccc1 75141534 IWWVQVGJSHQBEW-FRRDWIJNSA-N 324.358 0.650 5 40 DCBB C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC(N)=O 3414719 ZYBUIMFHFFAZIK-HYDMIIDASA-N 307.262 0.735 5 40 DCBB CN(C)CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 8991454 IBSIVNHCUBFWHQ-UHFFFAOYSA-N 321.381 0.884 5 40 DCBB CN1CCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])CC1 5025362 XHDDJXYCGUSAPL-UHFFFAOYSA-N 307.358 0.319 5 40 DCBB CC(C)NC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N 101099638 TUPCQMHMMKAGDX-UHFFFAOYSA-N 311.345 0.804 5 40 DCBB O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCOCC1 28003895 FXNRNGDPIMDILP-UHFFFAOYSA-N 307.262 0.362 5 40 DCBB CN(C)CC(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 65625288 ODSLMSWKPBWXKF-UHFFFAOYSA-N 310.329 0.944 5 40 DCBB O=C1NC2=C(C(=O)N(CCO)C2)[C@H](c2ccc([N+](=O)[O-])cc2)N1 4854693 LRQKZYIEDWHEJD-LBPRGKRZSA-N 318.289 0.037 5 40 DCBB CN(C)CCCNC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 95481799 REHGUCZZENCCSX-UHFFFAOYSA-N 312.351 0.585 5 40 DCBB CN1CCN(CC[C@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1 20405112 GBOHLOVZXPKZEE-CYBMUJFWSA-N 320.349 0.932 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(=O)O)CC1=O 45958670 PTDYZBOPXPMHGC-VIFPVBQESA-N 323.305 0.948 5 40 DCBB CC(C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O 65408907 XKWRIHODJFTQEW-UHFFFAOYSA-N 317.305 0.774 5 40 DCBB CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575423091 YACHULVDAIXQQN-CHWSQXEVSA-N 314.363 0.575 5 40 DCBB CC(=O)N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 6507551 HDATYAFNPHARTC-UHFFFAOYSA-N 307.306 0.664 5 40 DCBB CC(=O)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461864 CFDDJWMCZGRZFD-UHFFFAOYSA-N 316.321 0.844 5 40 DCBB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1[N+](=O)[O-] 101675631 WNPODPRYUDORGA-JTQLQIEISA-N 302.250 0.873 5 40 DCBB O=[N+]([O-])c1cnn(CCN2CCCN(c3ncccn3)CC2)c1 84613422 ASLGLVYFKJGECO-UHFFFAOYSA-N 317.353 0.794 5 40 DCBB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 32643820 PATJTXPBTUBAGU-NSHDSACASA-N 313.335 0.957 5 40 DCBB COC(=O)[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 30886071 ZKAFUQBDFYTQDH-VIFPVBQESA-N 323.305 0.392 5 40 DCBB CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 41629562 LQXNEERIAJIUCC-UHFFFAOYSA-N 315.351 0.694 5 40 DCBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 105295378 DRDIELJJGFXSFB-GRRRKWKPSA-N 318.285 0.072 5 40 DCBB C[N+]1([O-])[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 102222480 GSYQNAMOFFWAPF-UFWZCVBPSA-N 319.357 0.931 5 40 DCBB COC(=O)CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2582217 FPYSMOUHESYIOQ-NSCUHMNNSA-N 308.246 0.626 5 40 DCBB CCc1[nH]nc(C(=O)NCc2cccc(CO)n2)c1[N+](=O)[O-] 570696149 JVZLPZZETRKETE-UHFFFAOYSA-N 305.294 0.698 5 40 DCBB COC(=O)CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12998734 FYPVVCFTRBEOLA-UHFFFAOYSA-N 320.348 0.897 5 40 DCBB COC(=O)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 40511356 KRKCWZZSGSURCF-UHFFFAOYSA-N 302.308 0.825 5 40 DCBB Cc1cccc(C(=O)NCCNS(C)(=O)=O)c1[N+](=O)[O-] 12999517 XDWRQWHSJFRLJN-UHFFFAOYSA-N 301.324 0.182 5 40 DCBB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326810 MQQJSRPFDGMGGX-VIFPVBQESA-N 311.269 0.968 5 40 DCBB CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 5688395 JOHXVDYUQWCUFV-UHFFFAOYSA-N 316.339 0.051 5 40 DCBB COc1cc(NC(=O)CN[C@H]2CCOC2=O)c(C)cc1[N+](=O)[O-] 5950628 VFEWWCNPSCTQAS-VIFPVBQESA-N 323.305 0.755 5 40 DCBB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1cccc([N+](=O)[O-])c1 13691482 NKCGXSAOKNJFIP-VIFPVBQESA-N 302.250 0.708 5 40 DCBB Nc1[nH]c(-c2ccccc2)nc2nc3nc(=O)[nH]c(=O)c3nc12 5593685 QKFAERULWOMWLQ-UHFFFAOYSA-N 307.273 0.199 5 40 DCBB COc1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)c([N+](=O)[O-])c1 3671641 FRMVOCSPVQFZTE-UHFFFAOYSA-N 311.250 0.984 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)CCC1=O 4078731 ZKNJJAFJEUFNHZ-UHFFFAOYSA-N 307.262 0.691 5 40 DCBB C[C@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O 4763110 XVVUGNDGMVOWSK-UOEMKBBDSA-N 301.320 0.514 5 40 DCBB Cc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1NS(C)(=O)=O 65478503 HRUPVDOICHDFDF-ONGXEEELSA-N 313.335 0.970 5 40 DCBB CC[N+](C)(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 5884570 RODAVKPSQGQLME-UHFFFAOYSA-O 308.402 0.785 5 40 DCBB O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCOCC1 256047804 OUZUOHABUCIPOK-UHFFFAOYSA-N 319.277 0.710 5 40 DCBB CCc1nn(C)c(N2CCS(=O)(=O)[C@H](C)C2)c1[N+](=O)[O-] 97142348 VSQXVPDCBJUFCA-MRVPVSSYSA-N 302.356 0.514 5 40 DCBB CCN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 188512493 CDHSYVXGBYHHQK-UHFFFAOYSA-N 321.742 0.744 5 40 DCBB O=C(O)CN1C[C@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C1)C2 100093925 NYIRDBZKDUVJMT-UWVGGRQHSA-N 305.674 0.334 5 40 DCBB O=C1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1 40511222 WMZQTNOTRONZIZ-UHFFFAOYSA-N 303.278 0.577 5 40 DCBB O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc(-c3cccs3)n2)c1 193400855 BRZUPPPPFVWVDP-SECBINFHSA-N 321.322 0.567 5 40 DCBB CSC[C@](C)(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 77105379 OOLJVTDXPSCEKC-LLVKDONJSA-N 320.392 0.987 5 40 DCBB CCOc1nc(OCC)nc(OCC(F)([N+](=O)[O-])[N+](=O)[O-])n1 19321798 MTMXTAJKCPSQAO-UHFFFAOYSA-N 321.221 0.225 5 40 DCBB C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 48234645 IHBQYWIXYAZWCH-QMMMGPOBSA-N 301.324 0.467 5 40 DCBB Cn1cc(CN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1 36611094 WDPGXEWYLPJOKL-UHFFFAOYSA-N 319.325 0.009 5 40 DCBB Nc1nonc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 2568476 UUZMJCZAZAVJEN-UHFFFAOYSA-N 307.222 0.356 5 40 DCBB O=C(O)CCN([N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3017118 AVXAXFFOUBAJRW-UHFFFAOYSA-N 319.251 0.252 5 40 DCBB Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] 71890230 LDIGAAMJIWRLRC-NSHDSACASA-N 323.353 0.464 5 40 DCBB CS(=O)(=O)N(c1ccc(F)c([N+](=O)[O-])c1)S(C)(=O)=O 68675265 QCBYSGKWXOMGKP-UHFFFAOYSA-N 312.300 0.460 5 40 DCBB Cc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1[N+](=O)[O-] 24914685 VYINKTQBUYDLGQ-UHFFFAOYSA-N 307.262 0.612 5 40 DCBB CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 102968906 TTXPYBPSLUIVMD-SECBINFHSA-N 310.649 0.896 5 40 DCBB CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 40467425 FGKRLLMLYUVFQC-GFCCVEGCSA-N 312.347 0.783 5 40 DCBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)n2ncnc2N1 540900 UIXPLSNPHWUTPL-MRVPVSSYSA-N 320.240 0.789 5 40 DCBB O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1C[C@@H]1[N+](=O)[O-] 44966761 UAJIZCVAGXJPMM-STQMWFEESA-N 311.382 0.803 5 40 DCBB O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 19805498 LSQGGABLTPHIFA-UHFFFAOYSA-N 324.293 0.565 5 40 DCBB CN(C)CCCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O 40398623 QBMCSHMMRHUQDY-UHFFFAOYSA-N 313.361 0.377 5 40 DCBB COC(=O)CNC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2 35239116 FPYSMOUHESYIOQ-IHWYPQMZSA-N 308.246 0.626 5 40 DCBB COCCNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 5249679 TWYAHTGWNWEVSV-QMMMGPOBSA-N 312.330 0.616 5 40 DCBB CNC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5660004 GKQCMKTUJCQTTE-UHFFFAOYSA-N 323.305 0.334 5 40 DCBB CC1CCN(c2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])CC1 5164771 ZVRZFZNGNZSAMF-UHFFFAOYSA-N 310.314 0.700 5 40 DCBB CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)OC[C@H](CO)O1 96531652 ZFUYCAYSWLQLOF-NWDGAFQWSA-N 317.319 0.200 5 40 DCBB CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 1473251 WGISUMVTKPEQFJ-ZDUSSCGKSA-N 309.366 0.972 5 40 DCBB C[C@]1(n2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 40166754 HSNYVIJTXKMMBX-LBPRGKRZSA-N 311.319 0.772 5 40 DCBB O=C(C[C@H](NCCCO)C(=O)O)Nc1cccc([N+](=O)[O-])c1 4280072 YMPYQWKLYNVAIR-NSHDSACASA-N 311.294 0.349 5 40 DCBB O=C(CN1CCN(CCO)CC1)Nc1ccccc1[N+](=O)[O-] 8132355 QRRPZUYXDZCXCY-UHFFFAOYSA-N 308.338 0.143 5 40 DCBB O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCOCO1 89768198 BENYGKSMGAIHOO-MRVPVSSYSA-N 320.298 0.775 5 40 DCBB CS(=O)(=O)c1ccc(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 23709355 XHVZJUSSJIHWHS-VIFPVBQESA-N 300.336 0.959 5 40 DCBB NC(=O)[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] 69780641 RCIUKCRYFPKRFL-LBPRGKRZSA-N 306.322 0.873 5 40 DCBB O=C(NC[C@H]1CCCO1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 1432996 NHHXLXNEQRACGW-SECBINFHSA-N 322.281 0.131 5 40 DCBB Nc1nonc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 16399850 ZQTZQIPBOHJJRN-UHFFFAOYSA-N 306.282 0.080 5 40 DCBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)NC1CC1 20892443 OYRJZUCDOBOPRB-UHFFFAOYSA-N 323.305 0.434 5 40 DCBB CN(C)c1nc(N)nc(CN2Cc3ccc([N+](=O)[O-])cc3C2)n1 72764015 LHAYDBPPGSPKCM-UHFFFAOYSA-N 315.337 0.944 5 40 DCBB COc1ccc(S(=O)(=O)N(C)CC[C@@H](C)O)c([N+](=O)[O-])c1 84637228 PEQFTRQWXYDTAJ-SECBINFHSA-N 318.351 0.995 5 40 DCBB C[C@@H]1CN=C(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)S1 89941284 FZEXETLLLXPKCT-LLVKDONJSA-N 324.410 0.900 5 40 DCBB CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575420765 KLPAAPGXVUILPI-NEPJUHHUSA-N 300.336 0.185 5 40 DCBB CCN(CC)CCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1 19681160 WIEMTUKQLVXJJL-UHFFFAOYSA-N 322.365 0.864 5 40 DCBB CNC(=O)CN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 25232259 CEHPUBULMHSFRS-UHFFFAOYSA-N 320.349 0.535 5 40 DCBB CC(=O)[C@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 102968908 TTXPYBPSLUIVMD-VIFPVBQESA-N 310.649 0.896 5 40 DCBB Cn1cnc([N+](=O)[O-])c1NCCNC(=O)COc1ccccc1 29588766 YCNJESZXDSIDGC-UHFFFAOYSA-N 319.321 0.935 5 40 DCBB CCS(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 175676337 KVULAMFXXDSGLP-UHFFFAOYSA-N 301.324 0.815 5 40 DCBB CC(C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 25371529 IMEJRISPPFFGHI-UHFFFAOYSA-N 307.354 0.636 5 40 DCBB CC(C)C(=O)N1CCN(C(=O)CCn2cnc([N+](=O)[O-])c2)CC1 12520062 YCTYYEBGYCBJIN-UHFFFAOYSA-N 323.353 0.508 5 40 DCBB CN1C(=O)C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 95483178 QMHHUMVWKTUANT-CYBMUJFWSA-N 318.333 0.474 5 40 DCBB O=C(O)CCn1c(=O)c2ccc3[nH]c(=O)c4ccc(c1=O)c2c34 5553801 GDINQFIQRFUFGO-UHFFFAOYSA-N 310.265 0.707 5 40 DCBB O=C(c1ccccc1)[C@H]1CN2CN3CN1C[C@]([N+](=O)[O-])(C2)C3 19327614 XITRGBYWPOZLMP-HIFRSBDPSA-N 302.334 0.115 5 40 DCBB CS(=O)(=O)NC[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 32923706 PFGMTMNVURBEKA-SNVBAGLBSA-N 314.367 0.755 5 40 DCBB C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 13463938 YIPAKASBYKHFOB-DTORHVGOSA-N 315.351 0.856 5 40 DCBB Cn1ncc2cnn(C[C@@H](O)c3cccc([N+](=O)[O-])c3)c2c1=O 95974794 VEWBKFJOQGZBTL-GFCCVEGCSA-N 315.289 0.772 5 40 DCBB NC(=O)[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 79046893 HKJGEQYERQHVHO-LLVKDONJSA-N 307.306 0.840 5 40 DCBB CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1CCOCC1 22239118 RZLAWJOITQKFON-SNVBAGLBSA-N 311.342 0.262 5 40 DCBB CCN1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)C1=O 4326352 YCVKJYFEMRKQBN-UHFFFAOYSA-N 320.305 0.224 5 40 DCBB Cc1c(C(=O)NCCN2CCN(C)CC2)cccc1[N+](=O)[O-] 13632308 LVIQIXNELDBSCA-UHFFFAOYSA-N 306.366 0.880 5 40 DCBB Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)CC(F)(F)F)CC1 58246868 MOEYZLYEHFAAEZ-UHFFFAOYSA-N 321.259 0.929 5 40 DCBB CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 89598385 NGPPYDAGXVLFRW-WCBMZHEXSA-N 320.392 0.986 5 40 DCBB C[N+]1([O-])[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100133665 GSYQNAMOFFWAPF-ABQGWRMASA-N 319.357 0.931 5 40 DCBB in-vitro O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N1CCOCC1 375967 WOGMAKWVXMKDGW-UHFFFAOYSA-N 306.278 0.905 5 40 DCBB CC(C)NC(=O)CN1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 26706221 HNGLOKSBHAGWLW-UHFFFAOYSA-N 324.385 0.365 5 40 DCBB NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1 12528483 FHRSFIVAYFICLS-UHFFFAOYSA-N 318.333 0.752 5 40 DCBB O=C(NCCNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1Cl 52820252 NXVIARMFVJXGIC-KOLCDFICSA-N 311.725 0.851 5 40 DCBB Cc1cc(S(=O)(=O)N[C@H]2CCNC2)cc([N+](=O)[O-])c1F 95996589 UKHPJKGXFNTYSR-QMMMGPOBSA-N 303.315 0.683 5 40 DCBB C[C@@H]1CCCN(c2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])C1 4306225 XQDQWAAEQFZMDC-SSDOTTSWSA-N 310.314 0.700 5 40 DCBB CC(C)Nc1ccc(S(=O)(=O)NCC(=O)O)cc1[N+](=O)[O-] 3888180 QYSJOTGEGUHBTO-UHFFFAOYSA-N 317.323 0.778 5 40 DCBB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(N)C2=O 6668382 VNGUVPPAMDKRFQ-NSHDSACASA-N 303.278 0.261 5 40 DCBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCN1CCOCC1 61997395 CHGSGHHXEODNSD-UHFFFAOYSA-N 319.317 0.913 5 40 DCBB O=[N+]([O-])c1c(N2CCS(=O)(=O)CC2)nc2sccn12 57839915 DYAPZMFYIRYILH-UHFFFAOYSA-N 302.337 0.539 5 40 DCBB CC(=O)CC(=O)N(CCC[N+](C)(C)C)CCC[N+](C)(C)C 3176892 KZXRHACCEZBVCG-UHFFFAOYSA-N 301.475 0.987 5 40 DCBB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3373396 SCRGVUDHDNZDCI-UHFFFAOYSA-N 313.266 0.969 5 40 DCBB O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CCS(=O)(=O)C2)cc1 72970306 HAFDPEZRIRARSF-ZDUSSCGKSA-N 314.363 0.576 5 40 DCBB NC(=O)c1cc(Cl)c(Sc2nncn2N)c([N+](=O)[O-])c1 70462514 TXSYJEVCKGRBOT-UHFFFAOYSA-N 314.714 0.804 5 40 DCBB CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 197606938 VNEXJFACIWJPJS-UHFFFAOYSA-N 313.335 0.639 5 40 DCBB CCOC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1N 21365944 BKZBVMUXLRDHRI-UHFFFAOYSA-N 311.250 0.607 5 40 DCBB Nc1nc(N[C@H]2CN(c3ccc(F)cc3)C2=O)ncc1[N+](=O)[O-] 95469162 OWFXZZINTJLGDY-VIFPVBQESA-N 318.268 0.933 5 40 DCBB Cc1[nH]ncc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 69591239 ZDLVTEQARBEHIO-UHFFFAOYSA-N 316.321 0.984 5 40 DCBB CCCn1nnnc1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 28005972 MGTIQYZKMKOBMY-UHFFFAOYSA-N 304.266 0.948 5 40 DCBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)n2ncnc2N1 8968918 DHHWXMPXUJKXSH-SECBINFHSA-N 302.250 0.708 5 40 DCBB COC(=O)[C@@H](CCC(N)=O)N1Cc2c(cccc2[N+](=O)[O-])C1=O 85223933 XLBGYXPELSEKGK-LLVKDONJSA-N 321.289 0.358 5 40 DCBB CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O 575420766 KLPAAPGXVUILPI-NWDGAFQWSA-N 300.336 0.185 5 40 DCBB COCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 40542322 PEHCCHVBJFIEQR-UHFFFAOYSA-N 322.321 0.229 5 40 DCBB CCCNC(=O)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N 40555301 ZHAWRHAZQSJPLY-SSDOTTSWSA-N 312.301 0.961 5 40 DCBB Nc1nc(N[C@@H]2CN(c3ccc(F)cc3)C2=O)ncc1[N+](=O)[O-] 95469163 OWFXZZINTJLGDY-SECBINFHSA-N 318.268 0.933 5 40 DCBB COC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 16222660 ANTGMSRLWPNGSK-UHFFFAOYSA-N 317.275 0.328 5 40 DCBB Cn1c(=O)[nH]c(=O)c2c1nc([N+](=O)[O-])n2Cc1ccc(F)cc1 193578 FBBGTPGPSBVJBS-UHFFFAOYSA-N 319.252 0.519 5 40 DCBB O=C(CN1C(=O)CSCC1=O)Nc1ccc([N+](=O)[O-])cc1 4248305 NAFOIKOPTKWODC-UHFFFAOYSA-N 309.303 0.635 5 40 DCBB O=C(NCCc1ccccn1)NCCn1cc([N+](=O)[O-])cn1 95426018 VTVDBRPYMHDELA-UHFFFAOYSA-N 304.310 0.728 5 40 DCBB Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 95446889 TVEXXYYERRICQH-UHFFFAOYSA-N 303.278 0.146 5 40 DCBB O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 79078451 ZNKRITMMCFIRJR-SNVBAGLBSA-N 316.273 0.448 5 40 DCBB CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 24978538 WUDNPUSTLPHGIU-IUCAKERBSA-N 323.305 0.990 5 40 DCBB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 225962837 OBTIUMYMTHPQTF-UHFFFAOYSA-N 316.339 0.272 5 40 DCBB O=[N+]([O-])c1ccc(-n2ncc(-c3n[nH]nc3[N+](=O)[O-])n2)cc1 16429869 UKVITDPJRJCUJZ-UHFFFAOYSA-N 302.210 0.869 5 40 DCBB COc1cccc(OCCNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 40499047 JRHWWCRRZTVOAY-UHFFFAOYSA-N 320.305 0.995 5 40 DCBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 4032017 NJSTXRVJFPFPGA-VIFPVBQESA-N 314.319 0.277 5 40 DCBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@@H]1c1ccccc1 106930837 IWWVQVGJSHQBEW-JHJVBQTASA-N 324.358 0.650 5 40 DCBB NCCCNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 5163249 VKNHCBLDQDFHRJ-MRVPVSSYSA-N 311.346 0.319 5 40 DCBB COc1ccc([N+](=O)[O-])cc1OCc1cc(=O)n(C)c(=O)n1C 11296527 NBNZSGYNZDDMCX-UHFFFAOYSA-N 321.289 0.580 5 40 DCBB COC(=O)CN1CCO[C@H](COc2cccc([N+](=O)[O-])c2)C1 217501709 WEMDZXVXWJEHGA-ZDUSSCGKSA-N 310.306 0.847 5 40 DCBB COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 14232001 ZHWKEFTXQZMVDT-SECBINFHSA-N 314.319 0.520 5 40 DCBB O=C(O)CCCn1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 4627530 MSGUMJIAXGGPJE-UHFFFAOYSA-N 322.281 0.491 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2nccs2)CC1 28507338 RURYIFYGVBDCDH-UHFFFAOYSA-N 322.350 0.597 5 40 DCBB NCCCNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 5163251 VKNHCBLDQDFHRJ-QMMMGPOBSA-N 311.346 0.319 5 40 DCBB O=c1ccc([N+](=O)[O-])cn1CCn1nc(-c2ccco2)oc1=O 95990787 HYRCENXAQNSXGE-UHFFFAOYSA-N 318.245 0.866 5 40 DCBB CCOC(=O)[C@@](C)(O)CNc1nc2ccccn2c1[N+](=O)[O-] 95941791 BUPRETQSAHQJKD-ZDUSSCGKSA-N 308.294 0.969 5 40 DCBB NC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 124630232 BICOASVULRWGNK-SECBINFHSA-N 303.315 0.750 5 40 DCBB C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC(N)=O 3414717 ZYBUIMFHFFAZIK-CZEYKFRCSA-N 307.262 0.735 5 40 DCBB O=C(CCn1cc([N+](=O)[O-])cn1)NCCCN1CCOCC1 22239121 FNVVBTOOZUGLGH-UHFFFAOYSA-N 311.342 0.020 5 40 DCBB COCCCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O 40398622 NRHOBLCCUSKYHG-UHFFFAOYSA-N 300.318 0.462 5 40 DCBB CCn1cc(S(=O)(=O)N2CCOCC2(C)C)c([N+](=O)[O-])n1 83843357 SSHRJDAYSPXBQC-UHFFFAOYSA-N 318.355 0.611 5 40 DCBB O=C(CCn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CC1 96232418 XSEHRZGBRYMRLQ-UHFFFAOYSA-N 302.290 0.973 5 40 DCBB Cc1cc([N+](=O)[O-])nn1CCc1nc2c3cn[nH]c3ncn2n1 17052303 FPCBHWCPFHUZHE-UHFFFAOYSA-N 313.281 0.656 5 40 DCBB O=[N+]([O-])c1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c1 40167123 BPQDPYBFCMCUPC-UWVGGRQHSA-N 313.360 0.455 5 40 DCBB C[C@H]1CCCN(c2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])C1 4306226 XQDQWAAEQFZMDC-ZETCQYMHSA-N 310.314 0.700 5 40 DCBB CCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)C1=O 4326356 KZRHHVQFWQCPRT-UHFFFAOYSA-N 320.305 0.224 5 40 DCBB COc1cc(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc(OC)c1OC 32932540 XJYFAMBMSSUIEC-VHSXEESVSA-N 310.306 0.994 5 40 DCBB O=C(O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 408592402 MIONBZWURXPIHC-XBXARRHUSA-N 307.218 0.278 5 40 DCBB Cc1nn(CCS(=O)(=O)NCC(C)C)c(C)c1[N+](=O)[O-] 12688051 WOAJIHXBDFJRHN-UHFFFAOYSA-N 304.372 0.984 5 40 DCBB O=c1c2sccc2ncn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 97212675 YCWVNFIFQXCPNU-SECBINFHSA-N 321.318 0.624 5 40 DCBB CN(C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 137260321 ISDHWAJVGAKXSC-UHFFFAOYSA-N 301.324 0.449 5 40 DCBB CCOC(=O)C1=C(C)N=C(NN)N[C@@H]1c1cccc([N+](=O)[O-])c1 408729932 FGBXPCBASYGDTK-GFCCVEGCSA-N 319.321 0.896 5 40 DCBB O=C1NC(=O)C2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 14118383 LQAWLOPKHRALPL-UHFFFAOYSA-N 318.289 0.409 5 40 DCBB COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)cnn1C 2730630 KUSJTZLESVUTFP-UHFFFAOYSA-N 322.281 0.259 5 40 DCBB Cc1nc([N+](=O)[O-])cn1-c1nc(N2CCOCC2)ncc1F 6790164 SIJAJESKAZBRJC-UHFFFAOYSA-N 308.273 0.855 5 40 DCBB CCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10332615 FOLHVFBWZINISB-UHFFFAOYSA-N 315.351 0.805 5 40 DCBB Cc1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1N 409158037 XAQVUOWQNIVHJR-UHFFFAOYSA-N 324.322 0.645 5 40 DCBB O=[N+]([O-])c1ccccc1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21 40167160 VILMUVXGZSXRGQ-GMSGAONNSA-N 313.360 0.455 5 40 DCBB COC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](C)(O)C1 5359595 LDCHGAHYGHKMCI-CYBMUJFWSA-N 307.262 0.678 5 40 DCBB Cc1nn(CC(=O)O[C@H]2C(=O)OCC2(C)C)c(C)c1[N+](=O)[O-] 65491647 OAIWZNSQAXGQAF-NSHDSACASA-N 311.294 0.903 5 40 DCBB CN1CCN(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 2114835 KNMVXMGQZHRCKR-UHFFFAOYSA-N 309.282 0.395 5 40 DCBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOCC1 422694 DPDANSFEFIYGPZ-UHFFFAOYSA-N 318.293 0.107 5 40 DCBB CC[C@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 69811377 OIOBPYIDKHRLGF-LBPRGKRZSA-N 307.306 0.711 5 40 DCBB Cc1cccc(C(=O)OCC(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] 13159908 PICODWHCCNZPCP-UHFFFAOYSA-N 321.289 0.018 5 40 DCBB NC(=O)[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 25395782 RZNYFBMGRLFKHD-SNVBAGLBSA-N 307.306 0.698 5 40 DCBB Cn1nc([N+](=O)[O-])nc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 4082139 JEDVNCJILNDFJP-ZJUUUORDSA-N 316.321 0.509 5 40 DCBB biogenic NC(=O)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)n1 97082319 NRAMHLSCDCHOCY-UHFFFAOYSA-N 308.681 0.952 5 40 DCBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)nn1 22689099 RASICDFCCANYPQ-LLVKDONJSA-N 304.262 0.554 5 40 DCBB Cc1nn(CC(=O)NCCCN2CCCC2=O)c(C)c1[N+](=O)[O-] 7166348 NGZRVOYKKHAWNP-UHFFFAOYSA-N 323.353 0.537 5 40 DCBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3ncnc32)cc1 78556779 CUZSRNAEJITSJI-UHFFFAOYSA-N 309.307 0.785 5 40 DCBB O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](N2CCCC2)C1 96404804 KIHJTORMICPRDR-GFCCVEGCSA-N 307.354 0.878 5 40 DCBB COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCS(=O)(=O)C1 12545549 WJDXSHHCIRKRDL-QMMMGPOBSA-N 314.319 0.980 5 40 DCBB COC(=O)C1(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1[N+](=O)[O-] 3037805 HDMQXVNDRKQUII-ZJUUUORDSA-N 324.245 0.670 5 40 DCBB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 4199591 RAYRYKXJKVRUSN-OXJKWZBOSA-N 316.269 0.400 5 40 DCBB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 12417553 GEKGMABQPJKCJL-NSHDSACASA-N 314.319 0.921 5 40 DCBB C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 17326896 GBHPUCXTEGCNLS-GHMZBOCLSA-N 321.333 0.960 5 40 DCBB O=[N+]([O-])c1ccccc1N1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21 40167156 VILMUVXGZSXRGQ-OIBJUYFYSA-N 313.360 0.455 5 40 DCBB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 66579600 KTVKGPMIURUBAG-SSDOTTSWSA-N 317.352 0.615 5 40 DCBB Cc1[nH]nc(NCC(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] 6908648 ASUMNUDZEDVTDU-SNVBAGLBSA-N 308.342 0.345 5 40 DCBB COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1 5080750 JJMQZAYOQCSLOO-SUZMYJTESA-N 311.246 0.109 5 40 DCBB O=C1CN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CCN1 95437071 BLXSBORUZVDXLQ-UHFFFAOYSA-N 313.745 0.877 5 40 DCBB CCn1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O 40372865 DNZKLCWDKXMUAK-UHFFFAOYSA-N 308.301 0.839 5 40 DCBB O=C1SCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 258612 MDMRKZQCBZSDQA-VIFPVBQESA-N 302.333 0.905 5 40 DCBB Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCNC1=O 9337221 FINVGASSMLGPGK-UHFFFAOYSA-N 307.262 0.612 5 40 DCBB O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCOCC1 256046166 DFNXYAONZYEAHB-UHFFFAOYSA-N 319.277 0.710 5 40 DCBB CCN1CCN(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])CC1 25404343 IDKDKEGOTYAJSE-LLVKDONJSA-N 308.338 0.921 5 40 DCBB Cn1cnnc1SCC(=O)Nc1ncc([N+](=O)[O-])s1 9373289 CFKDEUNGHFBINR-UHFFFAOYSA-N 300.325 0.911 5 40 DCBB CCc1nn2c(=O)cc(Cn3cnc([N+](=O)[O-])n3)nc2s1 41077917 ZBRNFFFSYSGQDU-UHFFFAOYSA-N 307.295 0.261 5 40 DCBB COC(=O)c1cc(NC(=O)[C@@H]2COCCO2)cc([N+](=O)[O-])c1 75141754 LKUMQARYQQWDRF-NSHDSACASA-N 310.262 0.735 5 40 DCBB NC(=S)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O 5809898 AVBJPJPGRCYLFL-UHFFFAOYSA-N 306.307 0.301 5 40 DCBB Cc1nn(C)c(NCC2(CS(C)(=O)=O)CC2)c1[N+](=O)[O-] 78996811 NFHFHXXRHFJILK-UHFFFAOYSA-N 302.356 0.873 5 40 DCBB Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7344493 GSSCOWUGNVVODL-UHFFFAOYSA-N 316.277 0.908 5 40 DCBB Cc1cc(N[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])cc1C 3999710 MEJQLABEQDUQTJ-RDSIVUJASA-N 312.322 0.451 5 40 DCBB biogenic CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])c2)C1 24746218 TUOXNDUDIXBTQC-JTQLQIEISA-N 310.310 0.593 5 40 DCBB O=c1c([N+](=O)[O-])cccn1CCn1nc2ccccn2c1=O 75582322 IJQQXIUDFNMBMG-UHFFFAOYSA-N 301.262 0.266 5 40 DCBB CS(=O)(=O)c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 23709353 XHVZJUSSJIHWHS-SECBINFHSA-N 300.336 0.959 5 40 DCBB CCOC(=O)C1=C(C)N=C(NN)N[C@H]1c1ccc([N+](=O)[O-])cc1 408732128 SIYWZBQLHBDOSD-LBPRGKRZSA-N 319.321 0.896 5 40 DCBB CN1CCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])CC1 4660159 NIEMTJYLZCMKQZ-UHFFFAOYSA-N 310.266 0.953 5 40 DCBB O=C(Cn1ccc([N+](=O)[O-])n1)NCc1nc2ccccc2[nH]1 1429954 SMOCLORKWSPSQO-UHFFFAOYSA-N 300.278 0.984 5 40 DCBB C[N+](C)(C)CCOC(=O)CCCC(=O)OCC[N+](C)(C)C 3153069 ZVUGHBKYQDHRPU-UHFFFAOYSA-N 304.431 0.656 5 40 DCBB Cc1nn(-c2ccccc2)c(N(CCO)CCO)c1[N+](=O)[O-] 5530913 YMQGLOAMOYVEFW-UHFFFAOYSA-N 306.322 0.880 5 40 DCBB O=C(O)CCCNS(=O)(=O)Oc1ccccc1[N+](=O)[O-] 20458634 FWQFBYXPCKHQJB-UHFFFAOYSA-N 304.280 0.673 5 40 DCBB NS(=O)(=O)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 69846589 IICLRELUTNZDKK-UHFFFAOYSA-N 318.330 0.055 5 40 DCBB Cn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 1674422 GZKNQJOZTRVLIX-UHFFFAOYSA-N 301.262 0.536 5 40 DCBB CN1CC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 3361697 NHKUWKGVOYEACW-UHFFFAOYSA-N 310.241 0.566 5 40 DCBB O=Cc1c(O)c2c(ccc3[nH]c(=O)c(C=O)c(O)c32)[nH]c1=O 103990473 FJPGYPNRIWSMTJ-UHFFFAOYSA-N 300.226 0.406 5 40 DCBB NS(=O)(=O)C[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 71899632 ZCFQEDZUSFVNMI-SECBINFHSA-N 300.340 0.495 5 40 DCBB COC(=O)CN1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1 217503117 QNWRPCDNOZXCOY-CYBMUJFWSA-N 310.306 0.847 5 40 DCBB O=C(NC[C@H]1CCCO1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12360642 FOLILKPXXJUVFF-MRVPVSSYSA-N 322.281 0.131 5 40 DCBB CCS(=O)(=O)NCCNC(=O)Nc1cccc([N+](=O)[O-])c1 32916628 AEWYXXFQBPBOLE-UHFFFAOYSA-N 316.339 0.656 5 40 DCBB O=[N+]([O-])C12CN3CC([N+](=O)[O-])(CN(C1)C3c1ccccc1)C2 19325905 ICGLZWZKNAEZFA-UHFFFAOYSA-N 304.306 0.751 5 40 DCBB CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 125872 RKMLSEJNBSKLDI-JTQLQIEISA-N 302.308 0.982 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(N)=O)CC1=O 45958657 ZYVOGZJZGGDZNK-SECBINFHSA-N 322.321 0.349 5 40 DCBB C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 48234644 IHBQYWIXYAZWCH-MRVPVSSYSA-N 301.324 0.467 5 40 DCBB O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc(-c3ccccc3)n2)c1 96435751 WKXUIAIJKHXGRK-LBPRGKRZSA-N 315.293 0.506 5 40 DCBB Nc1nonc1OCCNCCNc1ccc([N+](=O)[O-])cc1 5390831 MWNLQFLEJCYDFU-UHFFFAOYSA-N 308.298 0.641 5 40 DCBB Cc1sc(C(=O)N2CCn3c(nn(C)c3=O)C2)cc1[N+](=O)[O-] 95446891 VEDSHEYFDRQZIR-UHFFFAOYSA-N 323.334 0.516 5 40 DCBB O=C(NCCCO)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 13570369 BOKLGRKGFZSNPQ-NSHDSACASA-N 308.338 0.705 5 40 DCBB C[C@H]1CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 2627490 XJCNCMUMUZEHTK-IUCAKERBSA-N 312.278 0.980 5 40 DCBB COc1ccc(NC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])c1 4078729 DBUZBPMERNSWAY-UHFFFAOYSA-N 307.262 0.691 5 40 DCBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)n2ncnc2N1 9348595 QTHOSZZERJXDLK-VIFPVBQESA-N 302.250 0.708 5 40 DCBB CC1=NN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@](O)(C(F)(F)F)C1 998594 XINHRELBYJRQRL-SECBINFHSA-N 321.215 0.801 5 40 DCBB Cn1c(CO)cnc1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 1392482 LGXBIOFQJRETBS-UHFFFAOYSA-N 311.319 0.795 5 40 DCBB Cc1cc(=O)n2nc(Cn3cc([N+](=O)[O-])ccc3=O)sc2n1 12928289 VFBGNBFAKJKXBV-UHFFFAOYSA-N 319.302 0.578 5 40 DCBB O=C(N1CCOCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 14314186 NGSHZXBQCPYHPL-UHFFFAOYSA-N 321.337 0.564 5 40 DCBB COC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 6119893 XCEWQPOGDUFROD-UHFFFAOYSA-N 323.305 0.168 5 40 DCBB CN1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 97085537 WEHSVCDKMQISNN-UHFFFAOYSA-N 313.379 0.616 5 40 DCBB O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 215705326 AROHXPHPBZKOAF-ZDUSSCGKSA-N 319.317 0.683 5 40 DCBB O=C(COc1ccc([N+](=O)[O-])cc1)O[C@H]1CCS(=O)(=O)C1 4141380 QAJFXTGCQNBGRQ-NSHDSACASA-N 315.303 0.704 5 40 DCBB CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCOCC2)n1 20028529 XVQAJZWTNNYIRT-SNVBAGLBSA-N 311.342 0.262 5 40 DCBB O=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl 29488414 PEPBAZKEMFNVJS-UHFFFAOYSA-N 324.742 0.224 5 40 DCBB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 40386632 DVNBCEQOQIYTJZ-QMMMGPOBSA-N 316.277 0.783 5 40 DCBB CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 49321915 YXPKUFWJSLVIDN-VIFPVBQESA-N 300.340 0.826 5 40 DCBB CCOC(=O)C1=C(C)N=C(NN)N[C@H]1c1ccc([N+](=O)[O-])o1 408732340 UTHNLQWPEIQOQS-JTQLQIEISA-N 309.282 0.489 5 40 DCBB COC(=O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)c1ccccc1[N+](=O)[O-] 3040461 KTSATNYJOVLCHN-STQMWFEESA-N 324.289 0.877 5 40 DCBB C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])CCN1 4953444 RFYJCBNJKKAPRV-SSDOTTSWSA-N 310.266 0.999 5 40 DCBB CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-])[N+](=O)[O-] 8385309 ZLHHXYWOJDJIMM-UHFFFAOYSA-N 302.159 0.621 5 40 DCBB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc([N+](=O)[O-])cc1 13734871 NTRGOHCGEGYDKY-SECBINFHSA-N 302.250 0.708 5 40 DCBB CCN1CCN(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])CC1 25404347 IDKDKEGOTYAJSE-NSHDSACASA-N 308.338 0.921 5 40 DCBB O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1C[C@H]1[N+](=O)[O-] 44966764 UAJIZCVAGXJPMM-QWHCGFSZSA-N 311.382 0.803 5 40 DCBB CN(C)C1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 96010036 JKWIVFZKHAXNGF-UHFFFAOYSA-N 313.379 0.713 5 40 DCBB NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1 59488603 UYCRHWKBWDWRGS-DAFODLJHSA-N 318.333 0.795 5 40 DCBB CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)OC[C@H](CO)O1 96531650 ZFUYCAYSWLQLOF-RYUDHWBXSA-N 317.319 0.200 5 40 DCBB COc1ccc(NC(=O)CN2CCN(C)CC2)c([N+](=O)[O-])c1 14152846 PFRVIHULWSSPHT-UHFFFAOYSA-N 308.338 0.789 5 40 DCBB Cc1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 11999662 XQUNMYBCXMMTJB-JTQLQIEISA-N 319.360 0.864 5 40 DCBB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1cccc([N+](=O)[O-])c1 22996971 XMEIYTGFSAKPST-LBPRGKRZSA-N 322.321 0.282 5 40 DCBB O=C1CC(=O)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=N1 4474860 XIUWBOUDEKSBRD-UHFFFAOYSA-N 322.302 0.669 5 40 DCBB COCCS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] 72230441 MMFNDZCCDMVDQZ-UHFFFAOYSA-N 303.340 0.573 5 40 DCBB COC(=O)c1cc(C(=O)OCC(=O)NC2CC2)cc([N+](=O)[O-])c1 2634357 UJBFEXDRCCAXHP-UHFFFAOYSA-N 322.273 0.817 5 40 DCBB O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 13511753 DRDIELJJGFXSFB-ISFYIQIJSA-N 318.285 0.072 5 40 DCBB C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 85468156 CGGCGCBBNKTIKM-NSHDSACASA-N 319.365 0.779 5 40 DCBB O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3n[nH]cc3C2)c1 566005159 VQKRBLDHPBTGBC-CMPLNLGQSA-N 306.326 0.022 5 40 DCBB Cc1nn2c(nc1=O)SC[C@@]2(O)c1cccc([N+](=O)[O-])c1 1100630 YSYRHLBTKPAQEK-GFCCVEGCSA-N 306.303 0.654 5 40 DCBB Nc1nonc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 16401567 YMBOMLIALYJLMI-UHFFFAOYSA-N 306.282 0.080 5 40 DCBB COc1ccc(O)c(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 6170186 VRDZJFNNBWVDHT-DUXPYHPUSA-N 305.246 0.856 5 40 DCBB CS(=O)(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)OC[C@H](CO)O1 96531671 LKSAUXOSKQCQIG-NWDGAFQWSA-N 317.319 0.200 5 40 DCBB CC(C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O 57258011 KFYQNHQDEFQLHE-UHFFFAOYSA-N 317.305 0.774 5 40 DCBB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]13)O2 3882567 OABSTQQVOABLJC-OHTBPHCPSA-N 316.269 0.966 5 40 DCBB CC(=O)c1ccc(Oc2nc([N+](=O)[O-])nn2CC(N)=O)cc1 4722265 YCMGPCZBTRSGAL-UHFFFAOYSA-N 305.250 0.667 5 40 DCBB CC1([N+](=O)[O-])COP(=O)(NCCCN2CCOCC2)OC1 31670195 BBFOMNQPDFFACI-UHFFFAOYSA-N 323.286 0.489 5 40 DCBB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 79078454 ZNKRITMMCFIRJR-JTQLQIEISA-N 316.273 0.448 5 40 DCBB O=c1c2ccsc2ncn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 96435710 ZSLBNOPMXINSJL-SECBINFHSA-N 321.318 0.624 5 40 DCBB O=c1n(CCOc2ccccc2[N+](=O)[O-])nc2cnccn12 97107156 QNJOBXJOMDMOAR-UHFFFAOYSA-N 301.262 0.878 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 408548057 CMDGEPHXNRJCCA-UXBLZVDNSA-N 305.246 0.661 5 40 DCBB CC(C)c1noc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)n1 31813088 BXCZNUPQCCPIJM-UHFFFAOYSA-N 307.266 0.410 5 40 DCBB Cc1nn(C)c(N2CCN(c3nccn3C)CC2)c1[N+](=O)[O-] 72293265 PJAMNJHLFCRGCR-UHFFFAOYSA-N 305.342 0.697 5 40 DCBB Cn1nnnc1SCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 5842641 HFJAUUDHKJWOPO-UHFFFAOYSA-N 312.286 0.988 5 40 DCBB O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@@H](O)CO)c([N+](=O)[O-])c1 104160996 LEEUBRSBSFSCOR-LURJTMIESA-N 303.183 0.143 5 40 DCBB Cc1noc(N)c1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 9456864 YMLUBWONOWSPOR-UHFFFAOYSA-N 320.261 0.929 5 40 DCBB CS(=O)(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@@H](CO)O1 96531673 LKSAUXOSKQCQIG-NEPJUHHUSA-N 317.319 0.200 5 40 DCBB Cn1cc(CNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cn1 2776803 LUTGRAUIXAINAH-UHFFFAOYSA-N 312.717 0.885 5 40 DCBB NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 12558175 DZKHAZOUDWKBNE-QMMMGPOBSA-N 301.324 0.833 5 40 DCBB CC(=O)c1cn(Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 96466318 DBQNEWDWJJJWSZ-UHFFFAOYSA-N 303.274 0.706 5 40 DCBB Nc1nccnc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 22242744 YFNHWQVPUXGMNH-JTQLQIEISA-N 303.278 0.430 5 40 DCBB NC(=O)c1ccc(CSc2nc(N)cc(N)n2)c([N+](=O)[O-])c1 9322525 BPECAYQUNRWKQN-UHFFFAOYSA-N 320.334 0.940 5 40 DCBB Cc1cc(N2CCCN(CC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] 80947173 XVPHLEJITJXPEZ-UHFFFAOYSA-N 321.381 0.899 5 40 DCBB Nc1nc(N2CCN(C(=O)c3ccoc3)CC2)ncc1[N+](=O)[O-] 95117441 YYUCCAZPQVBECW-UHFFFAOYSA-N 318.293 0.522 5 40 DCBB NC(=O)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95461170 VQQIYMJUIFPWSQ-UHFFFAOYSA-N 314.685 0.178 5 40 DCBB CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C1=O 8974655 IOCDTAKKEQWREO-CQSZACIVSA-N 318.289 0.282 5 40 DCBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] 10746614 KOAZYZVUUKUTSO-JTQLQIEISA-N 313.335 0.542 5 40 DCBB O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 15134153 GZQMGFUZNAZADQ-ZRUFSTJUSA-N 304.686 0.099 5 40 DCBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[n+]([O-])c1 22061615 MAZJQPMUZSPHGY-ZDUSSCGKSA-N 303.274 0.692 5 40 DCBB CCCC(=O)N1CN2CN(C(=O)CCC)CC([N+](=O)[O-])(C2)C1 26803185 PFQSHCGEUAEHGI-UHFFFAOYSA-N 312.370 0.504 5 40 DCBB O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc(-c3ccccc3)n2)c1 96435750 WKXUIAIJKHXGRK-GFCCVEGCSA-N 315.293 0.506 5 40 DCBB O=c1[nH]c2c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2[nH]1 100052699 NHYNXHSWBOUVHA-UHFFFAOYSA-N 314.126 0.489 5 40 DCBB CS(=O)(=O)N1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 49321929 QPFOWEASCWMKOB-SECBINFHSA-N 300.340 0.826 5 40 DCBB CNC(=O)[C@@H]1CCCN1C(=O)CNc1ncccc1[N+](=O)[O-] 69629855 KNXZKXKTSQQJKU-JTQLQIEISA-N 307.310 0.139 5 40 DCBB Cc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1[N+](=O)[O-] 57316417 IXICZVDGSHSCDN-UHFFFAOYSA-N 321.322 0.554 5 40 DCBB Nc1ncncc1CNc1ncc([N+](=O)[O-])c(NC2CC2)n1 84334946 HEMKZWLAMLKNPL-UHFFFAOYSA-N 302.298 0.943 5 40 DCBB CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 195566532 VXWBGDHCRWGDHW-UHFFFAOYSA-N 321.381 0.544 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C=O)CC1 408705567 ISRXNIKCFCPNLA-UHFFFAOYSA-N 313.335 0.366 5 40 DCBB Nc1nc(NCCO)nc(NCc2ccccc2)c1[N+](=O)[O-] 5069861 DRYYUHPNLBJCIQ-UHFFFAOYSA-N 304.310 0.983 5 40 DCBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1c2ccccc2C[C@@H]1O 96449096 IWWVTEHOAUFTRD-DZGCQCFKSA-N 316.317 0.956 5 40 DCBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 5219634 XONKCABNCXUIQL-VIFPVBQESA-N 309.374 0.929 5 40 DCBB COC(=O)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 24854986 VZUBWKAGSAXPOR-UHFFFAOYSA-N 323.305 0.394 5 40 DCBB CC1=C(C(N)=O)C(c2ccccc2[N+](=O)[O-])C(C(N)=O)=C(C)N1 19418606 QKZYMWPEFKROJJ-UHFFFAOYSA-N 316.317 0.800 5 40 DCBB O=[N+]([O-])c1nc(-c2nc([N+](=O)[O-])c([N+](=O)[O-])[nH]2)[nH]c1[N+](=O)[O-] 59048727 HDNHSJKZJSMCOE-UHFFFAOYSA-N 314.130 0.433 5 40 DCBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C31CCCC1 19321165 OTOSKRCCTZNWFH-UHFFFAOYSA-N 310.354 0.959 5 40 DCBB O=C(O)[C@H]1C[C@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1 39649427 JMJMJDNHVXYAOC-WDEREUQCSA-N 310.262 0.751 5 40 DCBB in-vitro O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]13)O2 100314525 OABSTQQVOABLJC-UUIJZJDISA-N 316.269 0.966 5 40 DCBB Cn1c(=O)c2nc3c4ccccc4c(=O)n(C)c3nc2n(C)c1=O 1618946 MUDVQYUOBYNPBR-UHFFFAOYSA-N 323.312 0.032 5 40 DCBB C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 69929254 LTDVKONBBHGZKG-BXKDBHETSA-N 320.349 0.780 5 40 DCBB CCn1nnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1 57316402 RDWUXNOEHBGTDE-UHFFFAOYSA-N 321.322 0.728 5 40 DCBB Cc1c(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)cnn1C 2794034 DEEYWCQWQDSULX-UHFFFAOYSA-N 306.326 0.848 5 40 DCBB CN(CCO)c1cc(N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-] 4713409 KHXVXFODCWADCW-UHFFFAOYSA-N 314.298 0.360 5 40 DCBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccco1 19321404 AUJPMLVWYSMDSI-UHFFFAOYSA-N 322.321 0.980 5 40 DCBB NC(=O)Cc1csc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 8706750 XULNOMBTZXJXNW-UHFFFAOYSA-N 321.318 0.914 5 40 DCBB COC(=O)c1cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)oc1C 95452335 ACVQYRSEKGVYLR-UHFFFAOYSA-N 322.277 0.946 5 40 DCBB O=[N+]([O-])c1ncn(C[C@@H](O)CN2CCc3ccccc3C2)n1 95438920 FPNUAKJWQMDVRW-ZDUSSCGKSA-N 303.322 0.606 5 40 DCBB CC(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2F)c(=O)n(C)c1=O 96472043 STAXMUVEVOSJQC-UHFFFAOYSA-N 321.264 0.845 5 40 DCBB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 226628398 LKKZWDCIUPUKAE-ASHKBJFXSA-N 316.269 0.400 5 40 DCBB COCCNC(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-] 21674210 XFDIDSAXQSBPHJ-UHFFFAOYSA-N 307.310 0.441 5 40 DCBB CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 40467427 FGKRLLMLYUVFQC-LBPRGKRZSA-N 312.347 0.783 5 40 DCBB CSc1ccc(S(=O)(=O)NCC(=O)O)cc1[N+](=O)[O-] 3887541 AWFSJCPMXCNXBR-UHFFFAOYSA-N 306.321 0.680 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(N)=O)CC1=O 45958659 ZYVOGZJZGGDZNK-VIFPVBQESA-N 322.321 0.349 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 69632600 BWSUYXAUPSLFIK-GFCCVEGCSA-N 317.301 0.923 5 40 DCBB CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 3244202 BLVNTRSVJXLVRR-DTWKUNHWSA-N 323.305 0.990 5 40 DCBB O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 4505351 NGPCAMQVNDDCOL-MRVPVSSYSA-N 320.348 0.060 5 40 DCBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 5219633 XONKCABNCXUIQL-SECBINFHSA-N 309.374 0.929 5 40 DCBB Cn1cnc([N+](=O)[O-])c1Sc1ccncc1S(N)(=O)=O 6198816 OBOZOHHRRSLGOD-UHFFFAOYSA-N 315.336 0.522 5 40 DCBB O=C(Cn1cccn1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 72290228 BPBCEZHHIASGTD-LLVKDONJSA-N 316.321 0.899 5 40 DCBB NS(=O)(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 12552585 TXORCTVKAIFIRF-UHFFFAOYSA-N 301.324 0.203 5 40 DCBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)CC1 14152848 VATCDTXOSZXIFT-UHFFFAOYSA-N 308.338 0.789 5 40 DCBB Cc1ccc(NC(=O)Cn2cnnc2[S@](C)=O)cc1[N+](=O)[O-] 70037610 AXZQTPJPOFNWTC-JOCHJYFZSA-N 323.334 0.871 5 40 DCBB COc1cc(/C=C2\NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O 9295898 VOJXGUODKSPOJG-CLTKARDFSA-N 309.303 0.996 5 40 DCBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)CC1 35264054 BSHPXMVOKFPSRW-NSHDSACASA-N 320.349 0.487 5 40 DCBB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 105295375 DRDIELJJGFXSFB-PTEOKISQSA-N 318.285 0.072 5 40 DCBB C[N+](C)(C)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 8817101 IIXPYHWBMHQGBQ-UHFFFAOYSA-O 308.402 0.785 5 40 DCBB biogenic O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2 207849 HGPZOPYXWPAUKK-OXJKWZBOSA-N 316.269 0.966 5 40 DCBB biogenic CN1C(=O)C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(C)C1=O 2294906 IYSMFJHJUUFDRI-UHFFFAOYSA-N 322.233 0.637 5 40 DCBB CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575420768 KLPAAPGXVUILPI-VXGBXAGGSA-N 300.336 0.185 5 40 DCBB CCOC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 14248068 PAJWNDIJLDLSNA-UHFFFAOYSA-N 323.305 0.698 5 40 DCBB CNC(=O)[C@H]1CCCN1C(=O)CNc1ccc([N+](=O)[O-])cc1F 69518536 JDDHVTUYDBAPQP-GFCCVEGCSA-N 324.312 0.883 5 40 DCBB C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 69929251 LTDVKONBBHGZKG-CABZTGNLSA-N 320.349 0.780 5 40 DCBB Cc1cnc(N2CCN(c3cnn(C)c3)C(=O)C2)c([N+](=O)[O-])c1 98018817 UTMNWIGAEZDZPG-UHFFFAOYSA-N 316.321 0.885 5 40 DCBB COCCNc1c([N+](=O)[O-])nn(-c2ccc(OC)cc2)[n+]1[O-] 4924160 JYSAMYSZMVHVAB-UHFFFAOYSA-N 309.282 0.481 5 40 DCBB CN(C(=O)Cn1c(=O)ccn(C)c1=O)c1ccc([N+](=O)[O-])cc1 13016745 KLVMKUHDUIUSGC-UHFFFAOYSA-N 318.289 0.118 5 40 DCBB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 42295030 ORCNHZNZTFZFDL-SSDOTTSWSA-N 317.323 0.103 5 40 DCBB CNC(=O)c1ccc(NCC2(O)CCOCC2)c([N+](=O)[O-])c1 69664565 RLTFAJYUJKDPKS-UHFFFAOYSA-N 309.322 0.908 5 40 DCBB CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@@H]12)[C@@H](C)O 265480 DLNWZIVYKQXLTN-OVEUVTGNSA-N 301.383 0.794 5 40 DCBB O=C1[C@@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 13511751 DRDIELJJGFXSFB-KALVJPODSA-N 318.285 0.072 5 40 DCBB C[C@H]1CN2CCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])cn1 71904564 AWBRKPZLEWYTQI-NWDGAFQWSA-N 307.354 0.877 5 40 DCBB O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 3893283 GZYHDKAARZHCIT-VIFPVBQESA-N 314.319 0.277 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(C)(=O)=O 22606658 UTVDFQSTSDTQEN-UHFFFAOYSA-N 301.324 0.733 5 40 DCBB CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] 65535408 TYNHLIYRVLVMNR-CQSZACIVSA-N 320.349 0.990 5 40 DCBB CCOC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 10886578 NIDQMVVPPOPANC-UHFFFAOYSA-N 317.323 0.478 5 40 DCBB O=[N+]([O-])c1ccccc1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21 40167162 VILMUVXGZSXRGQ-XCBNKYQSSA-N 313.360 0.455 5 40 DCBB Cc1c(C(=O)OCCNS(C)(=O)=O)cccc1[N+](=O)[O-] 69808495 GRQLSPYCVJABGC-UHFFFAOYSA-N 302.308 0.609 5 40 DCBB COC(=O)[C@@H](NC(C)=O)[C@H](OC(C)=O)c1ccccc1[N+](=O)[O-] 3040458 KTSATNYJOVLCHN-QWHCGFSZSA-N 324.289 0.877 5 40 DCBB O=c1c(Br)cc([N+](=O)[O-])cn1CCOCCO 96476065 QNHVBZZHAZVELL-UHFFFAOYSA-N 307.100 0.528 5 40 DCBB NC(=O)c1c[nH]nc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16429289 BKMPWCKKUJDLDS-UHFFFAOYSA-N 311.279 0.218 5 40 DCBB NC(=O)[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 52393531 LEVLBSGHPSSWKR-SNVBAGLBSA-N 318.333 0.799 5 40 DCBB CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)OC[C@@H](CO)O1 96531656 ZFUYCAYSWLQLOF-VXGBXAGGSA-N 317.319 0.200 5 40 DCBB CS(=O)(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 32923707 KTJYAAZWEXBTRD-JTQLQIEISA-N 314.367 0.755 5 40 DCBB O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)ccc1Cl 3897399 NGWUZGSHJOZWRB-ZNSHCXBVSA-N 304.686 0.099 5 40 DCBB Cc1cc(C(=O)O[C@H](C)CNS(C)(=O)=O)ccc1[N+](=O)[O-] 79106917 HPNXKTJIPURXOY-SECBINFHSA-N 316.335 0.998 5 40 DCBB O=[N+]([O-])c1ccc(NCCN[C@@H]2CCS(=O)(=O)C2)nc1 69535016 HECRXEGFQNTCQC-SECBINFHSA-N 300.340 0.178 5 40 DCBB O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3n[nH]cc3C2)c1 566005161 VQKRBLDHPBTGBC-PWSUYJOCSA-N 306.326 0.022 5 40 DCBB Cn1cc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)cn1 76063595 BXNDBUQIPURODS-VIFPVBQESA-N 318.341 0.781 5 40 DCBB CN(C)CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 22522175 VCHZPRDESOUWFC-UHFFFAOYSA-N 301.368 0.966 5 40 DCBB COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408590164 GJVUXRCCOAQJBL-WEVVVXLNSA-N 321.245 0.581 5 40 DCBB O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 72970304 HAFDPEZRIRARSF-CYBMUJFWSA-N 314.363 0.576 5 40 DCBB Nn1ccc2nc3ccn(Cc4cccnc4)c(=O)c3cc2c1=O 40398632 HCKIJVOKHKYWMI-UHFFFAOYSA-N 319.324 0.869 5 40 DCBB O=C(NCCNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccccc1Cl 52820255 NXVIARMFVJXGIC-GXSJLCMTSA-N 311.725 0.851 5 40 DCBB Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1[N+](=O)[O-] 4705779 KJADKBSXCPPVOZ-UHFFFAOYSA-N 309.326 0.366 5 40 DCBB O=[N+]([O-])c1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 40167125 BPQDPYBFCMCUPC-NXEZZACHSA-N 313.360 0.455 5 40 DCBB CCOC(=O)CSc1nc2[nH]c(C)c([N+](=O)[O-])c(=O)n2n1 100165532 YHZMCEDJWOCMDA-UHFFFAOYSA-N 313.295 0.289 5 40 DCBB O=[N+]([O-])c1cccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 5024968 FKJQEDDTTAPSSN-SNVBAGLBSA-N 320.348 0.524 5 40 DCBB CN1CCN(c2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])CC1 5029605 SKUDDHOUIWZEGW-UHFFFAOYSA-N 321.385 0.709 5 40 DCBB Cc1c(CCO)c(=O)n(C)n1C(=O)c1cccc([N+](=O)[O-])c1 1390473 KTFSGPVWGRCMEN-UHFFFAOYSA-N 305.290 0.627 5 40 DCBB COc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(OC)c1OC 32932539 XJYFAMBMSSUIEC-NXEZZACHSA-N 310.306 0.994 5 40 DCBB COc1ccc(S(=O)(=O)N2CCNCC2)cc1[N+](=O)[O-] 36021385 JSWKSHLRFKOQIB-UHFFFAOYSA-N 301.324 0.197 5 40 DCBB COCCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398651 SKXGNBRZQGCOAG-UHFFFAOYSA-N 314.345 0.555 5 40 DCBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2[n+](=O)[nH]1)C(F)(F)F 104281432 QGYRYQLIDKHSSX-UHFFFAOYSA-O 304.164 0.886 5 40 DCBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(N)=O 7985480 WUMSOUXRLJYAOD-YFKPBYRVSA-N 315.669 0.988 5 40 DCBB COC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 32256875 BZCIAEATWKPKCM-GFCCVEGCSA-N 310.354 0.306 5 40 DCBB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1 46902118 MSXASHMDLNURIZ-WCBMZHEXSA-N 314.319 0.790 5 40 DCBB Cn1[nH]cc2/c(=N\C[C@@H](O)c3ccc([N+](=O)[O-])cc3)ncnc1-2 102646585 HKGUSEYEGPBEQG-ODHUPUGDSA-N 314.305 0.791 5 40 DCBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccon1 8987402 WRYPIAHDYDKZKV-UHFFFAOYSA-N 315.245 0.931 5 40 DCBB COc1ccc2c(=O)n3nc(N(C)CCO)ccc3nc2c1 5509835 LOMFFYNUACGTRM-UHFFFAOYSA-N 300.318 0.680 5 40 DCBB C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 17326900 GBHPUCXTEGCNLS-PHIMTYICSA-N 321.333 0.960 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCC[C@H]1O 72293718 NHFJTFMWGHWQDA-CMPLNLGQSA-N 309.322 0.424 5 40 DCBB C[C@@H]1O[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1O 239377981 OIXCBKIWQLOFTQ-HASKGGTLSA-N 318.713 0.488 5 40 DCBB NC(=O)c1ccc(Sc2nc(N)cc(=O)[nH]2)c([N+](=O)[O-])c1 16384434 YSJVULZBBVKSIJ-UHFFFAOYSA-N 307.291 0.510 5 40 DCBB C[N+]1([O-])[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 113334014 GSYQNAMOFFWAPF-ILVJDIQBSA-N 319.357 0.931 5 40 DCBB CCCCN1C[C@]2([N+](=O)[O-])CC=C(C(=O)O)[C@]([N+](=O)[O-])(C1)C2 4614389 QKFINPPWOFXKNK-QWHCGFSZSA-N 313.310 0.938 5 40 DCBB O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)cc1 40167198 FVORPSABWHZDEJ-VHSXEESVSA-N 313.360 0.455 5 40 DCBB CN(C)C1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 97083961 AZAFCWNAMUTYNF-UHFFFAOYSA-N 305.381 0.810 5 40 DCBB O=[N+]([O-])c1ccc(CNCCN[C@H]2CCS(=O)(=O)C2)cc1 575421051 MQKAFCMOWBRVLI-LBPRGKRZSA-N 313.379 0.461 5 40 DCBB O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1C[C@H]1[N+](=O)[O-] 67937753 QBNAXEZEDMHHJP-CAHLUQPWSA-N 302.084 0.741 5 40 DCBB CS(=O)(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 45550797 RRNRYGWGOQPKQC-UHFFFAOYSA-N 303.315 0.816 5 40 DCBB CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 1473252 WGISUMVTKPEQFJ-CYBMUJFWSA-N 309.366 0.972 5 40 DCBB O=C(Cn1cccnc1=O)NCCNc1ccc([N+](=O)[O-])cc1 25268605 RJTQZBDKXVDWAJ-UHFFFAOYSA-N 317.305 0.380 5 40 DCBB Cc1[nH]c(=O)n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CC(=O)O 20156511 KMUOJVKQPXFOEN-UHFFFAOYSA-N 305.246 0.370 5 40 DCBB CN1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1 26508738 GKGCMMMSOBJHDA-UHFFFAOYSA-N 309.282 0.354 5 40 DCBB O=[N+]([O-])c1sc(N2CCOCC2)nc1N1CCOCC1 69775146 NGNRYBONDYIMEO-UHFFFAOYSA-N 300.340 0.725 5 40 DCBB O=C1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1 9449608 YZLPNCFQLHZJNU-UHFFFAOYSA-N 312.713 0.619 5 40 DCBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@H](O)C1 89793140 URZOWXLEMYLNRD-BETUJISGSA-N 309.322 0.351 5 40 DCBB O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1cnc([N+](=O)[O-])c1 36397509 JQOOJICGXGIUJT-SECBINFHSA-N 316.273 0.448 5 40 DCBB CN(C)CCNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 9485755 HLZJQQNDLHKQKP-LBPRGKRZSA-N 321.381 0.884 5 40 DCBB Nc1nc2c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2[nH]1 100100154 HUIIKWKLKBWMGN-UHFFFAOYSA-N 313.142 0.778 5 40 DCBB O=C(CCn1ccc([N+](=O)[O-])n1)NCCCN1CCOCC1 22239122 VKRKEJDLQQUMGM-UHFFFAOYSA-N 311.342 0.020 5 40 DCBB CC(=O)c1ccc(N2CCCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 54389040 BGBRPKBDRYOYOJ-UHFFFAOYSA-N 320.349 0.795 5 40 DCBB Cc1nn(C[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] 58213747 OZCDPGUILVXMLZ-CWSCBRNRSA-N 312.370 0.878 5 40 DCBB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 1505838413 KMKSTKMTGIWKTH-UHFFFAOYSA-N 313.335 0.714 5 40 DCBB CC(C)NS(=O)(=O)c1ccc(NCCO)c([N+](=O)[O-])c1 23990868 LKLIVYFQHOVFCX-UHFFFAOYSA-N 303.340 0.686 5 40 DCBB CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 102969553 GDWGCHQDHZKFNW-SECBINFHSA-N 321.201 0.151 5 40 DCBB O=C(Cn1cccn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 72290227 BPBCEZHHIASGTD-NSHDSACASA-N 316.321 0.899 5 40 DCBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1c2ccccc2C[C@H]1O 96449097 IWWVTEHOAUFTRD-UKRRQHHQSA-N 316.317 0.956 5 40 DCBB CCNC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 3496306 JUZIECZHSRFBJR-UHFFFAOYSA-N 301.280 0.659 5 40 DCBB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 20842378 HTHWGFWRJMUGHV-UHFFFAOYSA-N 308.323 0.939 5 40 DCBB Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCOCC2)nn1C 22239119 KHRPAIYJKFJWDT-VIFPVBQESA-N 311.342 0.087 5 40 DCBB O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 40167200 FVORPSABWHZDEJ-UWVGGRQHSA-N 313.360 0.455 5 40 DCBB O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 67937750 QBNAXEZEDMHHJP-VDTYLAMSSA-N 302.084 0.741 5 40 DCBB O=[N+]([O-])c1ccc(NCCN[C@@H]2CCS(=O)(=O)C2)c(F)c1 69421168 WFWFZGAUKBBYAH-SECBINFHSA-N 317.342 0.923 5 40 DCBB COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCS(=O)(=O)C1 12545548 WJDXSHHCIRKRDL-MRVPVSSYSA-N 314.319 0.980 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-])NCc1cccnc1 3902065 OCCOVRQYXKNHJR-UHFFFAOYSA-N 306.238 0.411 5 40 DCBB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 46902116 MSXASHMDLNURIZ-PSASIEDQSA-N 314.319 0.790 5 40 DCBB Cn1cc(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 96480931 VETHAMAHHTXGGQ-UHFFFAOYSA-N 307.314 0.067 5 40 DCBB C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32 4023011 ZCLCRBMIHQMBMN-KWPVGEKTSA-N 302.350 0.893 5 40 DCBB O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)C2CCCCC2)c1 84335601 WSLHJEOSTTWBEO-CQSZACIVSA-N 312.370 0.779 5 40 DCBB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100172085 LKKZWDCIUPUKAE-OZTPJHRESA-N 316.269 0.400 5 40 DCBB O=[N+]([O-])c1cccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 5024969 FKJQEDDTTAPSSN-JTQLQIEISA-N 320.348 0.524 5 40 DCBB COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1 69848341 MVOXVQHPZXHUOK-UHFFFAOYSA-N 320.261 0.092 5 40 DCBB C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CCS(=O)(=O)C1 22549072 BHSDMDMSDSMMSN-SNVBAGLBSA-N 304.349 0.963 5 40 DCBB CN1CCN(C(=O)[C@H]2CCCN2c2ccncc2[N+](=O)[O-])CC1 79052532 DJBUWUYUYVUWJI-CYBMUJFWSA-N 319.365 0.733 5 40 DCBB C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 69929257 LTDVKONBBHGZKG-JOYOIKCWSA-N 320.349 0.780 5 40 DCBB COC(=O)[C@H](CCC(N)=O)N1Cc2c(cccc2[N+](=O)[O-])C1=O 85223936 XLBGYXPELSEKGK-NSHDSACASA-N 321.289 0.358 5 40 DCBB NC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 78988844 PVZOEJHJDJBEBO-JTQLQIEISA-N 313.697 0.575 5 40 DCBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NCC1CC1 1360658 KSYVDZFGYMZUJL-UHFFFAOYSA-N 302.294 0.775 5 40 DCBB COc1cc(NC(=O)CN2CCN(C)CC2)ccc1[N+](=O)[O-] 408553274 PQNNHQFWLGNGKR-UHFFFAOYSA-N 308.338 0.789 5 40 DCBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(CO)C=C[C@H]2O1 101356481 RAYRYKXJKVRUSN-BLTAXRJOSA-N 316.269 0.400 5 40 DCBB O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1Cc2ccccc2O1 53836577 UBJBBGJVYIKYQE-SNVBAGLBSA-N 303.278 0.306 5 40 DCBB O=[N+]([O-])c1ccc(N[C@H]2CCN(CCn3cncn3)C2)nc1 72665279 VLMHMCJPPOMFDR-NSHDSACASA-N 303.326 0.768 5 40 DCBB COc1ccc(S(=O)(=O)N[C@@H]2CCOC2=O)cc1[N+](=O)[O-] 9460183 NJWCUSUNKUOVEG-MRVPVSSYSA-N 316.291 0.197 5 40 DCBB NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21 26421674 OYRJCMKSBKFSBH-UHFFFAOYSA-N 314.305 0.508 5 40 DCBB CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 4682028 SRCOJGCCFHVUCL-UHFFFAOYSA-N 315.351 0.887 5 40 DCBB CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 125875 RKMLSEJNBSKLDI-SNVBAGLBSA-N 302.308 0.982 5 40 DCBB Nc1nc(C(=O)NC[C@@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] 95468844 FBWGYPZRCXWIAF-NSHDSACASA-N 316.317 0.905 5 40 DCBB CC(C)[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(N)=O 69844583 JYQJBBSKDXDLKH-NSHDSACASA-N 315.351 0.524 5 40 DCBB CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 10490713 PHQRYNSHKPWEPA-UHFFFAOYSA-N 301.324 0.399 5 40 DCBB CN(C)C(=O)OCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 480251 IVCKRYJGRMKAJA-UHFFFAOYSA-N 307.262 0.889 5 40 DCBB O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1Cl 52820254 NXVIARMFVJXGIC-MWLCHTKSSA-N 311.725 0.851 5 40 DCBB COC(=O)c1cc(NC(=O)[C@H]2COCCO2)cc([N+](=O)[O-])c1 75141758 LKUMQARYQQWDRF-LLVKDONJSA-N 310.262 0.735 5 40 DCBB C[C@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O 3897428 OIXCBKIWQLOFTQ-FSVXGXJESA-N 318.713 0.488 5 40 DCBB CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCOCC1 71897220 JWIBVRMHMIWPAR-UHFFFAOYSA-N 307.350 0.928 5 40 DCBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1c2ccccc2C[C@@H]1O 96449098 IWWVTEHOAUFTRD-ZFWWWQNUSA-N 316.317 0.956 5 40 DCBB CCn1c(=O)n(CC)c2cc(S(=O)(=O)O)c([N+](=O)[O-])cc21 9879824 IQZLGKDDAXRLTL-UHFFFAOYSA-N 315.307 0.998 5 40 DCBB NC(=O)C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 25389369 RXYMEMQTUGHBAW-UHFFFAOYSA-N 307.306 0.698 5 40 DCBB CCN1C[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1=O 33181107 QWWZPVYBCOEJTG-LLVKDONJSA-N 320.349 0.991 5 40 DCBB O=C(CN1C(=O)CSC1=O)Nc1cc([N+](=O)[O-])ccc1O 16905347 BVUZSTDMAAYAIJ-UHFFFAOYSA-N 311.275 0.934 5 40 DCBB O=[N+]([O-])c1cc2[nH]c(O)nc2c([N+](=O)[O-])c1N1CCOCC1 6444479 YLWDTJSFARXIHT-UHFFFAOYSA-N 309.238 0.922 5 40 DCBB COCCNC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 15510999 KZOICPCDBOOHFT-QPJJXVBHSA-N 307.306 0.487 5 40 DCBB C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 17326902 GBHPUCXTEGCNLS-QWRGUYRKSA-N 321.333 0.960 5 40 DCBB Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1NS(C)(=O)=O 65478505 HRUPVDOICHDFDF-MWLCHTKSSA-N 313.335 0.970 5 40 DCBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCN1CCOCC1 16209013 JEZLECSHYTVRSX-UHFFFAOYSA-N 305.290 0.523 5 40 DCBB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1 25925676 HXTSBIDXPHRQOP-GFCCVEGCSA-N 307.306 0.458 5 40 DCBB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1cccc([N+](=O)[O-])c1 22996968 XMEIYTGFSAKPST-GFCCVEGCSA-N 322.321 0.282 5 40 DCBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C1=O 8974654 IOCDTAKKEQWREO-AWEZNQCLSA-N 318.289 0.282 5 40 DCBB COc1ccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1O 30840479 BVRWVEJDMLJZMR-RQOWECAXSA-N 305.246 0.856 5 40 DCBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCOCC2)c1 36611199 AINHHSLDCMHTIF-UHFFFAOYSA-N 315.351 0.205 5 40 DCBB O=C(NCCNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1Cl 52820253 NXVIARMFVJXGIC-ONGXEEELSA-N 311.725 0.851 5 40 DCBB Cn1cnc([N+](=O)[O-])c1Sc1nnnn1C1CCOCC1 69589227 HYDALWQIHJZVEY-UHFFFAOYSA-N 311.327 0.818 5 40 DCBB Cn1c(=O)ccn(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1=O 72274407 ASFTZDRGIDLWNA-UHFFFAOYSA-N 322.252 0.233 5 40 DCBB Nn1ccc2nc3ccn(Cc4ccncc4)c(=O)c3cc2c1=O 40398642 CMYUPXVISLPRDH-UHFFFAOYSA-N 319.324 0.869 5 40 DCBB COC(=O)CN1CCO[C@@H](COc2cccc([N+](=O)[O-])c2)C1 217501625 WEMDZXVXWJEHGA-CYBMUJFWSA-N 310.306 0.847 5 40 DCBB C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 24986446 YDKPHEKDIDUHDI-NSHDSACASA-N 321.333 0.962 5 40 DCBB CC(C)N[C@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)O 65090362 KTVXFUVTNAPNMT-SNVBAGLBSA-N 310.310 0.957 5 40 DCBB O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 102984651 GZQMGFUZNAZADQ-LNFKQOIKSA-N 304.686 0.099 5 40 DCBB Cc1cc(C(=O)NCCS(C)(=O)=O)c(N)c([N+](=O)[O-])c1 78497690 AWFFTYGURSADLP-UHFFFAOYSA-N 301.324 0.260 5 40 DCBB O=[N+]([O-])c1ccc(NC(=S)NCCN2CCOCC2)nc1 223891197 RNBGNEZFXLTLOF-UHFFFAOYSA-N 311.367 0.608 5 40 DCBB CC(=O)c1cn(Cc2csc([N+](=O)[O-])c2)c(=O)n(C)c1=O 96466337 USOHLDNOVLTZRE-UHFFFAOYSA-N 309.303 0.768 5 40 DCBB Cc1ccc(NC(=O)COC(=O)[C@H]2CCC(=O)N2)c([N+](=O)[O-])c1 4985560 HECVXHRVCBMXLA-SNVBAGLBSA-N 321.289 0.664 5 40 DCBB COC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 61997063 ZKAFUQBDFYTQDH-SECBINFHSA-N 323.305 0.392 5 40 DCBB C[N+]1([O-])[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100133670 GSYQNAMOFFWAPF-BMQCULPASA-N 319.357 0.931 5 40 DCBB in-vitro O=C1[C@H]2[C@@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100674245 DRDIELJJGFXSFB-JIQZXMICSA-N 318.285 0.072 5 40 DCBB COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 107363351 SJEKXKDHRGZLFP-OCCSQVGLSA-N 321.333 0.758 5 40 DCBB COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 107363349 SJEKXKDHRGZLFP-TZMCWYRMSA-N 321.333 0.758 5 40 DCBB C[N+]1(C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CCOCC1 2692818 SLJWLCJQRBGNKX-HUUCEWRRSA-N 324.397 0.681 5 40 DCBB CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 32903863 URNLZLFIASMODA-QMMMGPOBSA-N 302.308 0.837 5 40 DCBB CCOc1cc(C(=O)NCC(=O)NC)c([N+](=O)[O-])cc1OC 25265516 BBPLUMWQOPCJLZ-UHFFFAOYSA-N 311.294 0.478 5 40 DCBB COC(=O)c1ccc(OCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 23103738 UHDZACZXRFHJSV-UHFFFAOYSA-N 322.273 0.909 5 40 DCBB COc1ccc(S(=O)(=O)N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 84637227 PEQFTRQWXYDTAJ-VIFPVBQESA-N 318.351 0.995 5 40 DCBB Nc1nc(NCC(=O)O)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 9244715 OZHTWYLJSQNTEL-LURJTMIESA-N 312.286 0.054 5 40 DCBB O=[N+]([O-])c1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 40167127 BPQDPYBFCMCUPC-ZJUUUORDSA-N 313.360 0.455 5 40 DCBB Nc1nc(N2CCOCC2)nc(N2CCCCC2)c1[N+](=O)[O-] 5025468 XWXLNILSGGRLFC-UHFFFAOYSA-N 308.342 0.794 5 40 DCBB CN(CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 8383257 KENOTZCTLZAJLZ-UHFFFAOYSA-N 316.186 0.582 5 40 DCBB CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@@H](C)O 252693510 DLNWZIVYKQXLTN-FDICVXPISA-N 301.383 0.794 5 40 DCBB biogenic O=C(CN1C(=O)c2ccccc2C1=O)Cn1nccc1[N+](=O)[O-] 89857700 IMAJBMBAMOCKHY-UHFFFAOYSA-N 314.257 0.657 5 40 DCBB O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCn3cncn3)C2)nc1 72665278 VLMHMCJPPOMFDR-LLVKDONJSA-N 303.326 0.768 5 40 DCBB O=C([C@H]1CCS(=O)(=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 57837185 VJULWAALARRYCS-JTQLQIEISA-N 310.331 0.919 5 40 DCBB CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 69390457 ZEHZBPUOPAIZDV-VIFPVBQESA-N 324.337 0.879 5 40 DCBB CN(C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 5637452 ZDZWHZMMXKAMJE-UHFFFAOYSA-N 302.356 0.606 5 40 DCBB O=C(Nc1cc([N+](=O)[O-])ccc1O)N[C@@H]1CCS(=O)(=O)C1 21548854 FCBUEUZGYQPIRN-SSDOTTSWSA-N 315.307 0.609 5 40 DCBB O=C(NCCCO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20647458 RLVMCQYZKOVQGA-UHFFFAOYSA-N 308.338 0.705 5 40 DCBB O=[N+]([O-])c1ccc(CS(=O)(=O)c2nc([N+](=O)[O-])n[nH]2)cc1 59417378 VEQNOLFZEISNIE-UHFFFAOYSA-N 313.251 0.595 5 40 DCBB O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)C2CCCCC2)c1 84335604 WSLHJEOSTTWBEO-AWEZNQCLSA-N 312.370 0.779 5 40 DCBB NS(=O)(=O)C[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 71899631 ZCFQEDZUSFVNMI-VIFPVBQESA-N 300.340 0.495 5 40 DCBB CNCCCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 95996581 VDWDMDKOAHTHOH-UHFFFAOYSA-N 305.331 0.930 5 40 DCBB C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1 25147739 JJHXCVBTIFVXLH-GFCCVEGCSA-N 307.350 0.974 5 40 DCBB O=C1SCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 258619 DHWAXEAJBUHEFN-ZETCQYMHSA-N 302.333 0.905 5 40 DCBB O=c1c2sccc2ncn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 97212674 YCWVNFIFQXCPNU-VIFPVBQESA-N 321.318 0.624 5 40 DCBB C[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O 3066226 UCDMGJAKPULAKB-UHFFFAOYSA-N 312.458 0.299 5 40 DCBB COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 14232004 ZHWKEFTXQZMVDT-VIFPVBQESA-N 314.319 0.520 5 40 DCBB CN(C)C(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 25925290 VDLSIBLLAVSLRA-UHFFFAOYSA-N 306.366 0.801 5 40 DCBB Cn1nc([N+](=O)[O-])nc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 15414924 JEDVNCJILNDFJP-VHSXEESVSA-N 316.321 0.509 5 40 DCBB Cn1nnnc1SCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 2641417 OOALNETWFNJNJU-UHFFFAOYSA-N 322.306 0.167 5 40 DCBB C[N+]1(C[C@H](O)COC[C@H]2COc3ccccc3O2)CCOCC1 2692814 SLJWLCJQRBGNKX-GJZGRUSLSA-N 324.397 0.681 5 40 DCBB CCOC(=O)C1=C(C)N=C(NN)N[C@H]1c1cccc([N+](=O)[O-])c1 408729935 FGBXPCBASYGDTK-LBPRGKRZSA-N 319.321 0.896 5 40 DCBB O=C(NCc1ccco1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12374911 NQGNFWKLNJFPSH-UHFFFAOYSA-N 318.249 0.746 5 40 DCBB Cc1ccc(NC(=O)Cn2cnnc2[S@@](C)=O)cc1[N+](=O)[O-] 70037611 AXZQTPJPOFNWTC-QFIPXVFZSA-N 323.334 0.871 5 40 DCBB O=C(O)CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Cl)C1 4548218 NYIRDBZKDUVJMT-ZJUUUORDSA-N 305.674 0.334 5 40 DCBB O=C(O)CN1C[C@]2([N+](=O)[O-])CC=C(Cl)[C@]([N+](=O)[O-])(C1)C2 4548216 NYIRDBZKDUVJMT-VHSXEESVSA-N 305.674 0.334 5 40 DCBB Cc1nn(CC(=O)OCC(=O)N2CCCC2=O)c(C)c1[N+](=O)[O-] 6068916 ZPKPWEGLDPBCGM-UHFFFAOYSA-N 324.293 0.100 5 40 DCBB COC(=O)[C@@H](C)NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 61997060 XAHKUWCUDRLSPY-SECBINFHSA-N 323.305 0.392 5 40 DCBB Cc1c(C(=O)NCCCS(N)(=O)=O)cccc1[N+](=O)[O-] 40382689 PWPHLALYAUWAJW-UHFFFAOYSA-N 301.324 0.312 5 40 DCBB C[C@H]1CN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 58018686 PLKMDUBDGLRVEU-PHIMTYICSA-N 311.342 0.017 5 40 DCBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCNCC2)ccc1Cl 20006560 OBPLGBFOVZTVKW-UHFFFAOYSA-N 305.743 0.842 5 40 DCBB Cc1c(C(=O)Nc2nn(C)cc2C(N)=O)cccc1[N+](=O)[O-] 89540467 NHDYYWJOYIZNLC-UHFFFAOYSA-N 303.278 0.988 5 40 DCBB C[C@@H](C(=O)NC1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 22195968 VXCIYOYLOVVBCK-NSHDSACASA-N 319.365 0.779 5 40 DCBB O=C(CCOc1ccccc1[N+](=O)[O-])NCC(=O)NC1CC1 55045654 QTKCCBXVSKSUQV-UHFFFAOYSA-N 307.306 0.759 5 40 DCBB CC(C)NS(=O)(=O)c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1 58430482 OSQFFHDQOMAUEM-UHFFFAOYSA-N 315.351 0.462 5 40 DCBB Cc1n[nH]c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1=O 5183683 DXOWQGBUTIPUPM-UHFFFAOYSA-N 316.321 0.708 5 40 DCBB C[C@@H]1O[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@@H]1O 236589 OIXCBKIWQLOFTQ-ALROSTPSSA-N 318.713 0.488 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2[nH]nnc2c1 79022834 KHKSKQMRXWAZTO-UHFFFAOYSA-N 314.261 0.667 5 40 DCBB Cc1nn(C)c(C(=O)N[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] 20028522 JXEAHIUUZXOCJH-SECBINFHSA-N 311.342 0.087 5 40 DCBB O=C([C@H]1CCCN1c1ccc([N+](=O)[O-])cn1)N1CCOCC1 25570494 ZOJGNPHUBLDGPS-GFCCVEGCSA-N 306.322 0.817 5 40 DCBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(CO)C=C[C@H]2O1 101356627 LKKZWDCIUPUKAE-BLTAXRJOSA-N 316.269 0.400 5 40 DCBB O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)ccc1Cl 102805858 NGWUZGSHJOZWRB-LNFKQOIKSA-N 304.686 0.099 5 40 DCBB biogenic COC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 8390396 UKGSPTILOWOKQU-SECBINFHSA-N 324.289 0.819 5 40 DCBB CCOC(=O)C1=C(COc2cccnc2[N+](=O)[O-])NC(=O)NC1 12517134 QIWAIJNCZDDVSZ-UHFFFAOYSA-N 322.277 0.499 5 40 DCBB O=C(O)c1[nH]nc(-c2n[nH]c(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-] 8742081 FJNYETPKQGSJRT-UHFFFAOYSA-N 312.154 0.013 5 40 DCBB CN(C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1 5031583 NJMKRABQUHBKIG-UHFFFAOYSA-N 309.374 0.931 5 40 DCBB COC(=O)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 7007738 YBNAEMHAKRXQHW-UHFFFAOYSA-N 310.262 0.674 5 40 DCBB CCOC(=O)[C@](C)(O)CNc1nc2ccccn2c1[N+](=O)[O-] 95941790 BUPRETQSAHQJKD-CYBMUJFWSA-N 308.294 0.969 5 40 DCBB O=[N+]([O-])c1ncn(C[C@H](O)CN2CCc3ccccc3C2)n1 95438921 FPNUAKJWQMDVRW-CYBMUJFWSA-N 303.322 0.606 5 40 DCBB C[C@@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O 3897427 OIXCBKIWQLOFTQ-LNOLMHQLSA-N 318.713 0.488 5 40 DCBB NCCCNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 5025319 AOIGGSBAIMFUDV-UHFFFAOYSA-N 307.314 0.933 5 40 DCBB C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C1 5516398 DUSXPQNWBUQICT-RKDXNWHRSA-N 310.358 0.854 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCOC1=O 10021486 BVKYEUVANIJVQK-VIFPVBQESA-N 300.292 0.497 5 40 DCBB O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1cccc([N+](=O)[O-])c1 2649141 WFWFEWITENYEOY-JTQLQIEISA-N 307.262 0.355 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 110284441 OAQQFORKUCQDQK-WEVVVXLNSA-N 321.245 0.366 5 40 DCBB CN1CCN(CC[C@@H]2Oc3ccc([N+](=O)[O-])cc3NC2=O)CC1 4395641 GGMLKVXNCVOXDQ-AWEZNQCLSA-N 320.349 0.932 5 40 DCBB COC(=O)C1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CC1 9420761 XYMYMIONGRUVSI-UHFFFAOYSA-N 310.310 0.511 5 40 DCBB COC(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 1723524 GCKWEXSWALQJCS-LLVKDONJSA-N 324.289 0.819 5 40 DCBB O=c1[nH]c(O)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1590300 FJACEYIVAAFHEQ-UHFFFAOYSA-N 312.263 0.185 5 40 DCBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCC(O)CC1 10327814 FBRSPKRSYYAYTF-UHFFFAOYSA-N 307.306 0.825 5 40 DCBB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1 25925672 HXTSBIDXPHRQOP-LBPRGKRZSA-N 307.306 0.458 5 40 DCBB O=c1[nH]c(=O)n(Cc2noc(-c3ccoc3)n2)cc1[N+](=O)[O-] 72292145 BVGPPPZOYWVFAV-UHFFFAOYSA-N 305.206 0.136 5 40 DCBB CCc1nnc(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1N 70462335 BOPPSNHVDGEKBT-UHFFFAOYSA-N 308.323 0.713 5 40 DCBB O=C(CSc1n[nH]c(=O)[nH]c1=O)c1cccc([N+](=O)[O-])c1 13544010 VWXCMSJVTMDYIS-UHFFFAOYSA-N 308.275 0.341 5 40 DCBB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1cccc([N+](=O)[O-])c1 13691481 NKCGXSAOKNJFIP-SECBINFHSA-N 302.250 0.708 5 40 DCBB O=C(Nc1cc([N+](=O)[O-])ccc1O)N[C@H]1CCS(=O)(=O)C1 21548855 FCBUEUZGYQPIRN-ZETCQYMHSA-N 315.307 0.609 5 40 DCBB CCN1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1 26508743 GAWMPOMPIRMGMC-UHFFFAOYSA-N 323.309 0.744 5 40 DCBB Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)OCO2 4772592 PNLJOMWTUCWYJR-UHFFFAOYSA-N 304.262 0.987 5 40 DCBB O=C(NCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409052664 JBQQCBPWMWBFAO-UHFFFAOYSA-N 321.333 0.556 5 40 DCBB CN(C)S(=O)(=O)c1ccc(C(=O)OCC[N+](C)(C)C)o1 495727 OMSVFYFWVSZWNG-UHFFFAOYSA-N 305.376 0.393 5 40 DCBB Cc1nc(N2CCOCC2)nc(OCCN(C)C)c1[N+](=O)[O-] 4981962 QFBCOKFMONDKOI-UHFFFAOYSA-N 311.342 0.470 5 40 DCBB O=c1[nH]nc(CNc2ncc(Br)cc2[N+](=O)[O-])[nH]1 84338562 JIWLSQWRYOASSU-UHFFFAOYSA-N 315.087 0.776 5 40 DCBB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 69390463 ZEHZBPUOPAIZDV-SECBINFHSA-N 324.337 0.879 5 40 DCBB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 46902114 MSXASHMDLNURIZ-WPRPVWTQSA-N 314.319 0.790 5 40 DCBB Cn1cc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)cn1 76063598 BXNDBUQIPURODS-SECBINFHSA-N 318.341 0.781 5 40 DCBB COC(=O)[C@H](NC(C)=O)[C@H](OC(C)=O)c1ccccc1[N+](=O)[O-] 3040459 KTSATNYJOVLCHN-CHWSQXEVSA-N 324.289 0.877 5 40 DCBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1 5164782 HIPZBJXVALGEOW-UHFFFAOYSA-N 312.330 0.252 5 40 DCBB O=CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 7467622 GWQWNYKUZYZBBO-UHFFFAOYSA-N 320.349 0.710 5 40 DCBB CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O 575423095 YACHULVDAIXQQN-QWHCGFSZSA-N 314.363 0.575 5 40 DCBB C[C@@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O 3897429 OIXCBKIWQLOFTQ-VVBYJNJRSA-N 318.713 0.488 5 40 DCBB O=c1c2ccccc2nc2ccc(N(CCO)CCO)nn12 5604832 GAIDKYONBWOCIR-UHFFFAOYSA-N 300.318 0.034 5 40 DCBB Cc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1[N+](=O)[O-] 15629546 NYGWXBFOQJAIHJ-UHFFFAOYSA-N 304.262 0.392 5 40 DCBB CC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 572068 PEBXCZSSVPOELU-UHFFFAOYSA-N 306.230 0.323 5 40 DCBB CC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7156598 PLPHEDJTWDJYOJ-UHFFFAOYSA-N 307.306 0.807 5 40 DCBB CCn1nc(C)c([N+](=O)[O-])c1C(=O)NCC1(C(N)=O)CCCC1 95463076 OVPIATGWXVKYOY-UHFFFAOYSA-N 323.353 0.895 5 40 DCBB CC(=O)N1CCN(C(=O)COc2ccc(C)cc2[N+](=O)[O-])CC1 24732957 KXWZLJGAHXQOKT-UHFFFAOYSA-N 321.333 0.973 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCOc1ccccc1 7470733 OAGJBAJZZLQZSA-UHFFFAOYSA-N 317.301 0.952 5 40 DCBB Cc1nn(CC(=O)NCCNc2ncccn2)c(C)c1[N+](=O)[O-] 48010777 YCHGQCBBFUGMDK-UHFFFAOYSA-N 319.325 0.426 5 40 DCBB CC(C)NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 24586274 PYZKNKXJIFFAPJ-UHFFFAOYSA-N 307.354 0.636 5 40 DCBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[n+]([O-])c1 22061616 MAZJQPMUZSPHGY-CYBMUJFWSA-N 303.274 0.692 5 40 DCBB Cc1nn(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] 58213749 OZCDPGUILVXMLZ-GIPNMCIBSA-N 312.370 0.878 5 40 DCBB CS(=O)(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 12730969 YZLAQUAARWNCDY-UHFFFAOYSA-N 300.340 0.826 5 40 DCBB O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CC1(CO)COC1 568087122 PTOOOEHDBCFJNL-UHFFFAOYSA-N 307.262 0.420 5 40 DCBB Cc1nn(C)cc1CNC(=O)CCn1ncc([N+](=O)[O-])c1C 2794147 DWHOYQZDYRGTSJ-UHFFFAOYSA-N 306.326 0.848 5 40 DCBB Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 13878642 SALILBLZTONRAO-UHFFFAOYSA-N 321.318 0.991 5 40 DCBB C[N+]1([O-])[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 113334019 GSYQNAMOFFWAPF-DPXFZOKRSA-N 319.357 0.931 5 40 DCBB Cc1nn2c(nc1=O)SC[C@]2(O)c1cccc([N+](=O)[O-])c1 1100629 YSYRHLBTKPAQEK-LBPRGKRZSA-N 306.303 0.654 5 40 DCBB CCOCCO[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 84802717 YVWSQFLYZKSBFO-JTQLQIEISA-N 300.315 0.349 5 40 DCBB CS(=O)(=O)CCSCc1ccc(C(N)=O)cc1[N+](=O)[O-] 71884087 HAARVRJGZVSTGP-UHFFFAOYSA-N 318.376 0.972 5 40 DCBB C[C@@]1(n2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 40166755 HSNYVIJTXKMMBX-GFCCVEGCSA-N 311.319 0.772 5 40 DCBB O=C(Cn1cc([N+](=O)[O-])cn1)NCc1nc2ccccc2[nH]1 1430684 YGIHXRZUODNDIA-UHFFFAOYSA-N 300.278 0.984 5 40 DCBB O=C(NC[C@@H]1CCCO1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 1432997 NHHXLXNEQRACGW-VIFPVBQESA-N 322.281 0.131 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 408547915 ASVVMPKOZAZBIL-VMPITWQZSA-N 321.245 0.366 5 40 DCBB CCOC(=O)N1CCN(c2nc(C)c([N+](=O)[O-])c(N)n2)CC1 95117409 QMLOCQMOLRNMGX-UHFFFAOYSA-N 310.314 0.554 5 40 DCBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](O)C1 33014447 HVFIUXLZYBSJGK-SECBINFHSA-N 301.324 0.203 5 40 DCBB CCOC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12522854 DJHILMWPIHCHDU-UHFFFAOYSA-N 317.323 0.607 5 40 DCBB O=C1[C@H]2[C@@H]3C[C@@H]([C@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 38574161 DRDIELJJGFXSFB-FQIARQCESA-N 318.285 0.072 5 40 DCBB Cc1nn(C)c(C(=O)NCCCN2CCCC2=O)c1[N+](=O)[O-] 2781759 KGYZDVYVLYPJEN-UHFFFAOYSA-N 309.326 0.379 5 40 DCBB NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O 5581445 JBDFXSDBDFXTCY-UHFFFAOYSA-N 307.291 0.419 5 40 DCBB Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCCC1=O 12526758 IOIIKEPZZBDWQA-UHFFFAOYSA-N 307.262 0.483 5 40 DCBB Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 20842320 AFXZYHHFWLLGJU-UHFFFAOYSA-N 308.323 0.939 5 40 DCBB CN1CCN(C(=S)Sc2nc([N+](=O)[O-])nn2C)CC1 19828297 OXHKRJYNPKQCFT-UHFFFAOYSA-N 302.385 0.348 5 40 DCBB Nc1nc(NCC(=O)O)nc(N2CCCCCC2)c1[N+](=O)[O-] 4305946 PHSZHZSCLXMSJC-UHFFFAOYSA-N 310.314 0.844 5 40 DCBB Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1[N+](=O)[O-] 71890231 LDIGAAMJIWRLRC-LLVKDONJSA-N 323.353 0.464 5 40 DCBB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-] 20715759 TUZZKIFBHBHDSN-VIFPVBQESA-N 302.250 0.708 5 40 DCBB COC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OC 16189900 NAOYQRGLNLIHJN-UHFFFAOYSA-N 306.234 0.749 5 40 DCBB C[C@@H]1CN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 58018689 PLKMDUBDGLRVEU-GHMZBOCLSA-N 311.342 0.017 5 40 DCBB O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)ccc1Cl 3897400 NGWUZGSHJOZWRB-CHWFTXMASA-N 304.686 0.099 5 40 DCBB C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C1 5516397 DUSXPQNWBUQICT-IUCAKERBSA-N 310.358 0.854 5 40 DCBB O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)ccc1Cl 12656514 NGWUZGSHJOZWRB-ZRUFSTJUSA-N 304.686 0.099 5 40 DCBB biogenic C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 4763121 XVVUGNDGMVOWSK-UHUARQJVSA-N 301.320 0.514 5 40 DCBB CN(CCCNC(=O)c1c([N+](=O)[O-])cnn1C)CC(F)(F)F 95452336 AXFKUQDBAKDLEL-UHFFFAOYSA-N 323.275 0.942 5 40 DCBB O=C(O)c1cc([N+](=O)[O-])c(NCCOCCO)c([N+](=O)[O-])c1 6444473 CMOGLIWRKAQBCZ-UHFFFAOYSA-N 315.238 0.622 5 40 DCBB CCN1CCN(c2nc(N(CC)CC)nc(N)c2[N+](=O)[O-])CC1 4305994 MECYSSNKITURMJ-UHFFFAOYSA-N 323.401 0.955 5 40 DCBB C[C@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 4763118 XVVUGNDGMVOWSK-FDMIMSKNSA-N 301.320 0.514 5 40 DCBB CN1CCN(C(=O)[C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)CC1 71904122 JHDGFGFOMQYDLP-LLVKDONJSA-N 322.369 0.071 5 40 DCBB CN(Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1=O 71900371 OHUXTOPNZXLJKU-VIFPVBQESA-N 321.259 0.844 5 40 DCBB CC(C)(CO)NCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 5632645 CXKQUAVGBNLOTR-UHFFFAOYSA-N 324.381 0.874 5 40 DCBB NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21 26421696 KRLNUBKCBPTWIE-UHFFFAOYSA-N 314.305 0.508 5 40 DCBB CCCc1nc(Cn2cc([N+](=O)[O-])cc(C(=O)OC)c2=O)no1 67098016 BRKZRSLIXMJMHR-UHFFFAOYSA-N 322.277 0.927 5 40 DCBB COC(=O)CN1CCO[C@H](COc2ccccc2[N+](=O)[O-])C1 217500119 YCTPQDFWNCJYLB-NSHDSACASA-N 310.306 0.847 5 40 DCBB COC(=O)C1=C[C@H](O)[C@@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1 5080751 JJMQZAYOQCSLOO-UFGOTCBOSA-N 311.246 0.109 5 40 DCBB O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCc1c[nH]cn1 13735904 LSFRDQVOWGDURO-UHFFFAOYSA-N 304.310 0.874 5 40 DCBB COCCS(=O)(=O)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 72280772 UUNWBOFBHNQAAQ-UHFFFAOYSA-N 302.308 0.609 5 40 DCBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)CC1 5031823 GXNTYQLHIFTKFD-UHFFFAOYSA-N 321.385 0.709 5 40 DCBB O=CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 2582420 ZREANRQVQYXVIV-UHFFFAOYSA-N 308.250 0.417 5 40 DCBB C[C@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O 3897426 OIXCBKIWQLOFTQ-NWOINBQQSA-N 318.713 0.488 5 40 DCBB COC[C@H]1CN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])CCO1 521394462 LATVRYAPDNWYTG-LLVKDONJSA-N 320.309 0.422 5 40 DCBB O=[N+]([O-])c1c(N2CCN(CCCO)CC2)nc2ccccn12 58158892 TUKRMDHRRXSZQB-UHFFFAOYSA-N 305.338 0.747 5 40 DCBB CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 69774495 LGEKCLZTMBCHCJ-SNVBAGLBSA-N 301.324 0.383 5 40 DCBB NC(=O)[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] 79046897 HKJGEQYERQHVHO-NSHDSACASA-N 307.306 0.840 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 408549257 RNJOUZOEWJXDSL-UXBLZVDNSA-N 305.246 0.661 5 40 DCBB O=C1[C@H]2[C@@H]3C[C@@H]([C@H](O)[C@H]3O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 38574162 DRDIELJJGFXSFB-FRTGSEIKSA-N 318.285 0.072 5 40 DCBB O=c1[nH]c2ccc([N+](=O)[O-])cc2n1C[C@@H]1CCS(=O)(=O)C1 40166762 KESPXRPSTVWZLS-QMMMGPOBSA-N 311.319 0.673 5 40 DCBB CN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 13648332 SIWNCFNJMQMPJD-UHFFFAOYSA-N 306.366 0.962 5 40 DCBB Cc1nn2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2nc1=O 55718 NXEIFSXMRPOKKS-POHAHGRESA-N 316.298 0.276 5 40 DCBB COCCNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 5249680 TWYAHTGWNWEVSV-MRVPVSSYSA-N 312.330 0.616 5 40 DCBB C[C@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CCS(=O)(=O)C1 22549074 BHSDMDMSDSMMSN-JTQLQIEISA-N 304.349 0.963 5 40 DCBB NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1 83317953 UYCRHWKBWDWRGS-RJRFIUFISA-N 318.333 0.795 5 40 DCBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(N)C2=O 6668383 VNGUVPPAMDKRFQ-LLVKDONJSA-N 303.278 0.261 5 40 DCBB NC(=O)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517590 OLIFDVJRECUYJH-MRVPVSSYSA-N 312.238 0.634 5 40 DCBB C[C@H]1C[C@@H](C)CN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C1 13758502 MKYFUESMLOFAMS-DTORHVGOSA-N 310.358 0.854 5 40 DCBB Cc1cc(=O)nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n12 3196125 QMWGKHWDNYIYRE-XFFZJAGNSA-N 315.310 0.881 5 40 DCBB CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 12527088 WNYBQQYHXCLKDA-UHFFFAOYSA-N 301.324 0.759 5 40 DCBB NC(=O)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 24492439 XPGQAIKOMKIEKV-UHFFFAOYSA-N 303.278 0.458 5 40 DCBB O=C(NCCN1CCNCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6452874 GXGGTHCFNDPVSF-UHFFFAOYSA-N 323.309 0.138 5 40 DCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOC1=O 10021483 BVKYEUVANIJVQK-SECBINFHSA-N 300.292 0.497 5 40 DCBB CN(C)c1ccc(S(=O)(=O)NCC(=O)O)cc1[N+](=O)[O-] 3887497 XUTPCJXRHJRFSQ-UHFFFAOYSA-N 303.296 0.024 5 40 DCBB COc1ccc(S(=O)(=O)NCCCC(=O)O)cc1[N+](=O)[O-] 22151516 RQIQCSHAKFFTGZ-UHFFFAOYSA-N 318.307 0.747 5 40 DCBB COC(=O)CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O 408548590 JFIIRCFCLHGWOL-RMKNXTFCSA-N 305.246 0.661 5 40 DCBB NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3299932 NHEZMAHIHJAARI-UHFFFAOYSA-N 315.669 0.007 5 40 DCBB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 42295035 ORCNHZNZTFZFDL-ZETCQYMHSA-N 317.323 0.103 5 40 DCBB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 4765433 DRDIELJJGFXSFB-BCFCROPCSA-N 318.285 0.072 5 40 DCBB CN(CC(=O)NC(C)(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7020435 CWKKTHRISHHWSV-UHFFFAOYSA-N 324.337 0.130 5 40 DCBB O=C([C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1)N1CCOCC1 25570492 ZOJGNPHUBLDGPS-LBPRGKRZSA-N 306.322 0.817 5 40 DCBB CCn1c2ccccc2n2c1nn1c(S(=O)(=O)O)nnc12 226849667 BOJQUKQEZMCGJV-UHFFFAOYSA-N 306.307 0.598 5 40 DCBB O=C1SCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 258623 DHWAXEAJBUHEFN-SSDOTTSWSA-N 302.333 0.905 5 40 DCBB CN1CCN(CC[C@H]2Oc3ccc([N+](=O)[O-])cc3NC2=O)CC1 20405099 GGMLKVXNCVOXDQ-CQSZACIVSA-N 320.349 0.932 5 40 DCBB O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1Cc2ccccc2O1 53836579 UBJBBGJVYIKYQE-JTQLQIEISA-N 303.278 0.306 5 40 DCBB Cc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n(N)c1=O 4942539 YRJXRMGEWISJAF-UHFFFAOYSA-N 321.318 0.544 5 40 DCBB O=C(NCCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 12918278 YMQNYZMZEBJTOK-UHFFFAOYSA-N 307.306 0.574 5 40 DCBB Cn1[nH]cc2/c(=N\C[C@H](O)c3ccc([N+](=O)[O-])cc3)ncnc1-2 102646582 HKGUSEYEGPBEQG-PRSJPOKTSA-N 314.305 0.791 5 40 DCBB O=C(COc1ccc([N+](=O)[O-])cc1)OCCN1CCOCC1 31938787 PAIXMTGXICANES-UHFFFAOYSA-N 310.306 0.849 5 40 DCBB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 34800858 IYGSZRBSGJTEKJ-UHFFFAOYSA-N 315.351 0.540 5 40 DCBB CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409024020 HCDPXENGWVCYGP-UHFFFAOYSA-N 301.324 0.497 5 40 DCBB C[N@+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 253862710 GSYQNAMOFFWAPF-JDLDVZEOSA-N 319.357 0.931 5 40 DCBB in-vitro O=[N+]([O-])c1c(N[C@@H]2CCS(=O)(=O)C2)nc2sccn12 8216015 HZOKKSDRIDLQJF-ZCFIWIBFSA-N 302.337 0.903 5 40 DCBB O=C(NCc1ccccc1[N+](=O)[O-])N1CCS(=O)(=O)CC1 89813959 FRERQFCMFPECST-UHFFFAOYSA-N 313.335 0.535 5 40 DCBB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cccc([N+](=O)[O-])c1 40386635 VAEHEFRIJCBYAN-QMMMGPOBSA-N 316.277 0.783 5 40 DCBB Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] 20028521 JXEAHIUUZXOCJH-VIFPVBQESA-N 311.342 0.087 5 40 DCBB Nc1nc(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 2622739 VXVKGLARFOFNRA-UHFFFAOYSA-N 322.306 0.344 5 40 DCBB Cn1cnc([N+](=O)[O-])c1NC1CCN(S(C)(=O)=O)CC1 12794122 UNTCALBSRAYDLM-UHFFFAOYSA-N 303.344 0.164 5 40 DCBB Cc1ncc([N+](=O)[O-])n1-c1nc(N2CCOCC2)ncc1F 194188 RUSMHXSGZMWSSB-UHFFFAOYSA-N 308.273 0.855 5 40 DCBB CCCN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1 5339779 YUXYRWBLHMZNFB-UHFFFAOYSA-N 307.310 0.901 5 40 DCBB O=C(Cn1ccccc1=O)NCCNc1ccccc1[N+](=O)[O-] 8146288 MQIMPUACAACQCQ-UHFFFAOYSA-N 316.317 0.985 5 40 DCBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461859 CKVKBVIEGOXCCW-UHFFFAOYSA-N 316.321 0.844 5 40 DCBB O=[N+]([O-])c1cc2nc(N(CCO)CCO)[nH]c2cc1[N+](=O)[O-] 16383580 BLGWLKPGQWOBJN-UHFFFAOYSA-N 311.254 0.170 5 40 DCBB O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)ccc1Cl 3897398 NGWUZGSHJOZWRB-DBIOUOCHSA-N 304.686 0.099 5 40 DCBB COc1ccc(S(=O)(=O)NCCC(=O)O)cc1[N+](=O)[O-] 3887690 VTBDVDJFXQZCQE-UHFFFAOYSA-N 304.280 0.356 5 40 DCBB COCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H](C)C(N)=O 71879535 JBUOLCPVGXFDFC-SNVBAGLBSA-N 309.322 0.866 5 40 DCBB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2 4028878 HGPZOPYXWPAUKK-MCYUEQNJSA-N 316.269 0.966 5 40 DCBB biogenic Cc1n[n+]2c(C(=O)NCc3ccco3)c(C)[nH]n2c1[N+](=O)[O-] 15276374 RIBBWMJVJULDQV-UHFFFAOYSA-O 305.274 0.296 5 40 DCBB O=C(c1ccccc1)[C@H]1CN2CN3CN1C[C@@]([N+](=O)[O-])(C2)C3 19324835 XITRGBYWPOZLMP-UKRRQHHQSA-N 302.334 0.115 5 40 DCBB O=C(Cn1nc([N+](=O)[O-])nc1Br)N1CCCCC1 535884 GWGRTFOBLYFBNA-UHFFFAOYSA-N 318.131 0.961 5 40 DCBB Nc1nc(N2CCN(Cc3ccon3)CC2)ncc1[N+](=O)[O-] 76064179 KBMGYHDMEOPYID-UHFFFAOYSA-N 305.298 0.277 5 40 DCBB C[C@H]1C[C@H](C)CN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C1 5148544 MKYFUESMLOFAMS-IUCAKERBSA-N 310.358 0.854 5 40 DCBB NC(=O)[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 25395787 RZNYFBMGRLFKHD-JTQLQIEISA-N 307.306 0.698 5 40 DCBB O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](N2CCCC2)C1 96404803 KIHJTORMICPRDR-LBPRGKRZSA-N 307.354 0.878 5 40 DCBB Nc1nccnc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 25122164 WOZXYMAEISPRGZ-UHFFFAOYSA-N 317.261 0.763 5 40 DCBB O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 3893282 GZYHDKAARZHCIT-SECBINFHSA-N 314.319 0.277 5 40 DCBB COCCNC(=O)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] 56189532 JAMGFNLPZRKAOX-UHFFFAOYSA-N 309.322 0.786 5 40 DCBB CN(C[C@@H](O)CN1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 252498012 QTVNSLHEJXSJOD-GFCCVEGCSA-N 313.329 0.863 5 40 DCBB C[C@H](C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 85468157 CGGCGCBBNKTIKM-LLVKDONJSA-N 319.365 0.779 5 40 DCBB COC(=O)CNC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3336717 MTWPMTYERHRIOS-QPJJXVBHSA-N 322.273 0.440 5 40 DCBB Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1[N+](=O)[O-] 24180834 RSGMFEDYXAFFSB-UHFFFAOYSA-N 318.289 0.816 5 40 DCBB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 16450538 IASFTKWVULIFKI-SECBINFHSA-N 300.292 0.833 5 40 DCBB COC(=O)C1(C(=O)OC)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 3037801 HDMQXVNDRKQUII-UWVGGRQHSA-N 324.245 0.670 5 40 DCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCn2ncnc21 78556782 DPKDRCOVXPUUFC-UHFFFAOYSA-N 309.307 0.785 5 40 DCBB CC(=O)NCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 12984568 XJLAMKZHXLFSQK-UHFFFAOYSA-N 301.324 0.399 5 40 DCBB CN1C(=O)/C(=C2\N=C(S)NC2=O)c2cc([N+](=O)[O-])ccc21 4302163 JQDSVIFEVYCPAL-HJWRWDBZSA-N 304.287 0.698 5 40 DCBB NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3ncccc3[nH]2)c1=O 58264189 VHPVTZZMRJOVCN-UHFFFAOYSA-N 314.261 0.175 5 40 DCBB Cc1cc(C(=O)NCCN2CCN(C)CC2)ccc1[N+](=O)[O-] 13673500 QXDWVFSFULNWJR-UHFFFAOYSA-N 306.366 0.880 5 40 DCBB O=[N+]([O-])c1ccc(OCC[N+]23CN4CN(CN(C4)C2)C3)cc1 19318906 YMILTZSAYBVAFT-UHFFFAOYSA-N 306.346 0.482 5 40 DCBB