smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2	1800285018	PNMOTCGOHMGWDN-IARIHHJXSA-N	468.488	-1.077	5	20	JABD	
CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839881118	MEVSLQOKYIESQI-XOBRGWDASA-N	465.463	-1.263	5	20	JABD	
O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1781834766	KCOULHRRHLKZHY-YLJYHZDGSA-N	468.511	-1.408	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837384764	HYNAOOKBHZMKCW-BTYIYWSLSA-N	494.505	-1.080	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1785032619	SADFOJYNXIWBHE-XIRDDKMYSA-N	484.535	-1.499	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)ncc1[N+](=O)[O-]	1832326220	QFLWVWNKMFJHGL-HXUWFJFHSA-N	476.446	-1.080	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1839213328	ZHCYNPAMVNDSTH-KXBFYZLASA-N	450.452	-1.132	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO3)C(=O)N1	1829481345	MMOFNDGIXFRCKV-GOSISDBHSA-N	451.392	-1.190	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1829485427	GSGOLUBTOVGLKK-MJGOQNOKSA-N	454.436	-1.092	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832801296	ZJTWFWQNZXJFIX-IBGZPJMESA-N	474.434	-1.550	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1838826874	DAEXBLWTJODCGC-PKOBYXMFSA-N	453.452	-1.357	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839413627	LANIOJKNZKUWKW-UZLBHIALSA-N	465.463	-1.037	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718382	RHIJXGAKVMYARW-JXFKEZNVSA-N	497.461	-1.723	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1832325316	FMOZGVIAEORAPU-KRWDZBQOSA-N	451.396	-2.060	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2	1835859454	ZTJJNGIGGVCSKC-IBGZPJMESA-N	462.419	-1.045	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837792976	QRVHVRIKUJXFLK-SJCJKPOMSA-N	474.496	-1.284	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1831325525	YMURCIQLRJLBIX-YVEFUNNKSA-N	474.496	-1.284	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1	1841894658	AVRQPGSSMOZHCP-UHFFFAOYSA-N	467.504	-1.310	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)C(=O)C(=O)O)C3)n1	1796719440	POGWEYNYHCLQTI-QHBPRCKVSA-N	465.419	-1.255	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)n1	1797801907	OSNHNWWXRJFBQB-KNLUSZGBSA-N	465.463	-1.148	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793156	FKFNGACNRYRSLH-SFHVURJKSA-N	465.423	-2.201	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1835128517	YTRVXVXXXYRXSU-XOBRGWDASA-N	463.447	-1.509	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(=O)C(=O)O	1839702358	VIWHXFVGXMKYJQ-GOSISDBHSA-N	468.423	-2.209	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837465962	ROWBGHASKQPXLM-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1835748778	USIUDEJCDCJFTC-VLIAUNLRSA-N	465.463	-1.037	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1836508279	STFYDWDPBNVRJA-YVEFUNNKSA-N	457.465	-1.035	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782784697	XACKEFFOBDWFMM-KRWDZBQOSA-N	473.379	-1.689	5	20	JABD	
CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)C(=O)O	1786898373	IMKNECQZWCDOTR-AYDFFVQHSA-N	465.463	-1.201	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)C(=O)N1	1782782978	QOAICZMBEGNMKE-LJQANCHMSA-N	462.419	-1.862	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1	1833784482	LTGBSVAIJLWUQC-UHFFFAOYSA-N	476.494	-1.085	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1834733960	MAILZVGLMABADB-KRWDZBQOSA-N	464.527	-1.044	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839655216	MDLLTUBPEGPVJF-FQEVSTJZSA-N	496.546	-1.303	5	20	JABD	
COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717238	AYNFYLTZBISPKR-FQEVSTJZSA-N	468.463	-1.124	5	20	JABD	
CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1782784523	UUTZYMUJMMPYID-YJYMSZOUSA-N	451.436	-1.351	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1	1832483118	GORBOOLDSSJURO-IBGZPJMESA-N	486.503	-1.012	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)N1	1839717229	AQRUZESMESHKPH-VBKZILBWSA-N	463.447	-1.509	5	20	JABD	
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	502724118	PUXDKFPHIDLKIY-JKSUJKDBSA-N	476.533	-1.123	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1779879743	RGGNAHJSHABUBU-HXUWFJFHSA-N	471.430	-1.211	5	20	JABD	
O=C(Cn1ccncc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1800198823	AZZWEBWPIYDJPW-HBCWATKFSA-N	458.431	-1.397	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837464533	GVEBMMHJERMHGJ-KRWDZBQOSA-N	455.497	-1.128	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1837798756	BWRIECBTGMFULU-GUYCJALGSA-N	457.465	-1.035	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1838323107	HZVHBHNSBSCUGS-LJQANCHMSA-N	474.434	-1.550	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)[C@H](O)N1CCOCC1	1788648394	MKAFGAUPQXRJBH-FJXLLPKBSA-N	452.468	-1.578	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2	1829481530	RLVUESPJTDEARD-SFHVURJKSA-N	451.392	-1.190	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2	1800281315	GTCRDKGXMZQPOZ-DPIQGUFMSA-N	462.419	-2.102	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)CC1	1837796161	POHAMNHJGWZTEK-HXUWFJFHSA-N	479.494	-1.448	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1839718163	DVENSPJVEUDFPB-FPOVZHCZSA-N	495.489	-2.137	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840181873	NWYQSVNPLBKCPQ-LEWJYISDSA-N	496.473	-1.171	5	20	JABD	
O=C(NCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1	919820378	YQXPNHIFYXEBPI-OAHLLOKOSA-N	474.517	-1.014	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1832800785	HWLSVJQEAATBRL-IEBWSBKVSA-N	468.467	-2.102	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)c([N+](=O)[O-])c1	1839462068	BOULFAGWWDAPRP-IBGZPJMESA-N	453.404	-1.238	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1)C(=O)C(=O)O	1839704050	WBVRXJDKVLDXJE-FQEVSTJZSA-N	480.430	-1.087	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)N1	1832697014	JMPCOJFWPFMCEL-FOIQADDNSA-N	477.430	-1.032	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)ncc1[N+](=O)[O-]	1835739573	MDHHULBJFHHBFW-VBKZILBWSA-N	464.479	-1.039	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2	1800284990	NMBLHSXLVCYRNH-DBWKPXFBSA-N	474.430	-1.079	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)C(=O)N1	1832479383	JKAWEVHOZRSOPC-KRWDZBQOSA-N	451.396	-2.060	5	20	JABD	
O=C(CN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835393235	NWINUSRVGUZBGX-IBGZPJMESA-N	452.468	-1.420	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)cc([N+](=O)[O-])c1OC	1839470282	JGVKYUKPCIFYCC-IBGZPJMESA-N	455.420	-1.007	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837737122	QANQJHWQBYAANN-KKSFZXQISA-N	495.489	-1.636	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)c([N+](=O)[O-])cc1O	1838602218	UNIFWQGXJDMQGD-LHSJRXKWSA-N	495.489	-1.028	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CC1	1836672040	LDBQNLWDGCREEJ-IBGZPJMESA-N	451.484	-1.365	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797040	OGIPNYOCLIAUNT-SUMWQHHRSA-N	456.412	-1.548	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)ncc1[N+](=O)[O-]	1839702622	FODWQXIVCLEHHH-FQEVSTJZSA-N	479.446	-1.089	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1839718743	LKBGEBKSRHGLJX-UZLBHIALSA-N	498.514	-1.210	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840264085	HVVAJSPIIGKZOO-OAQYLSRUSA-N	489.441	-1.862	5	20	JABD	
N=C1NCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796000	JGDITLSDCYZCNF-SFHVURJKSA-N	450.456	-1.912	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839780132	AEDFOLMUSMLTHS-QAPCUYQASA-N	471.492	-1.175	5	20	JABD	
O=C(Cn1ccncc1=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786635	BQBJKPRBJDGGIO-HXUWFJFHSA-N	458.431	-1.157	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)n1	1796718626	OJHVGZBAAOLXPZ-CULMDFNYSA-N	462.419	-1.247	5	20	JABD	
O=C(Cn1cnnn1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	603470525	BUDNXQPNGRDVCL-UHFFFAOYSA-N	466.480	-1.049	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839273441	OPJYLFFLEUMARR-XOBRGWDASA-N	465.463	-1.037	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1839654609	ZQBZGNCNHWVLGZ-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1839918852	IKXNTVXCDAJSSD-NRFANRHFSA-N	482.490	-1.343	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1832487440	KTTOULQHYJWSII-GOSISDBHSA-N	486.507	-1.882	5	20	JABD	
CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839886003	DJMSDDVNRSCZCE-HXUWFJFHSA-N	465.463	-1.261	5	20	JABD	
C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)n1cnnn1	1840480546	WIGNPEKBIXIHBY-KUHUBIRLSA-N	476.450	-1.539	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793736	RRUMRNZBXPJLRT-KSSFIOAISA-N	488.523	-1.425	5	20	JABD	
O=C(CN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717517	DPHFYXUYHQLUNL-HXUWFJFHSA-N	479.446	-1.335	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2	1801287098	VYXGUNCOEHGZIG-FAXLKDOZSA-N	460.451	-1.008	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2	1839782035	LTLQWEDCWGQRCF-SJCJKPOMSA-N	457.465	-1.035	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1832697952	UXLKCFYGCIBCPA-RNODOKPDSA-N	492.445	-2.189	5	20	JABD	
CN(C)C(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1	917232008	CGLQTNDXFYIWQS-UHFFFAOYSA-N	461.431	-1.034	5	20	JABD	
O=C(CN1CCOC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831013707	UEPGUZZJOTVRPU-SFHVURJKSA-N	452.424	-1.300	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO3)N1	1839413383	VTZRYIDNQLKBOK-YWZLYKJASA-N	477.430	-1.032	5	20	JABD	
CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717868	WSTVIKSCJPSZKL-IBGZPJMESA-N	451.436	-1.699	5	20	JABD	
CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCC1=O	1839717445	BKSHVPTZUORSBA-OAQYLSRUSA-N	490.473	-1.179	5	20	JABD	
CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800281199	WSNNKYRNTQYEHF-FVCICTRLSA-N	450.452	-1.383	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2	1796436797	AWIYEIZIWCNFNU-JJLQDPRZSA-N	456.481	-1.053	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCN1	1839718945	VWOLCXDVIKWTBI-YCRPNKLZSA-N	477.474	-1.261	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)n1	1835739936	UPUBZGGOEQMUDN-RBZFPXEDSA-N	480.478	-1.339	5	20	JABD	
O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1800207762	HUWBAJLMPOKPQP-DBWKPXFBSA-N	474.430	-1.079	5	20	JABD	
CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)C(=O)C(=O)O	1837799008	MDQLHAFUDYQTRP-QGZVFWFLSA-N	454.396	-2.069	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)n1	1797801910	OSNHNWWXRJFBQB-XBMZAUBUSA-N	465.463	-1.148	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793738	RRUMRNZBXPJLRT-RDTXWAMCSA-N	488.523	-1.425	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1	1839718369	QHEJONBDIWGSDZ-HXUWFJFHSA-N	474.430	-1.390	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1779382685	ISBYGZGJTMMURY-KRWDZBQOSA-N	456.481	-1.508	5	20	JABD	
O=C(Cn1nccn1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839237926	KMBHHCUKFQRIRL-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21	1785035603	PZYKPIUNCMJBBA-IHRRRGAJSA-N	470.508	-1.358	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2	1839662443	OYIDFWZAIJSXPC-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2	1830587262	BJMODSYTEKZGAE-WSNMIEGMSA-N	450.448	-1.016	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832796490	YNJFXAPEDPFXKG-KSSFIOAISA-N	453.456	-2.160	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)C(=O)N1	1832479406	JXGQZIPZAKLJTI-GOSISDBHSA-N	450.408	-1.455	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796466	WPNAEFTXSIVEQD-KDOFPFPSSA-N	453.456	-2.160	5	20	JABD	
COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)c([N+](=O)[O-])cc1O	1798595183	NTAQFEIZRUBHMJ-VTEUUUEMSA-N	482.490	-1.201	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832801246	WTOAUILYJDCGTJ-QFBILLFUSA-N	468.467	-1.601	5	20	JABD	
Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c(=O)nc1O	1801969487	BCAPUFQXLXCUOA-FVCICTRLSA-N	461.435	-1.348	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1835565796	POOKLZINPKWARK-VBKZILBWSA-N	465.463	-1.037	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718273	LGWHMQWMDJJBMW-VBKZILBWSA-N	480.478	-1.340	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1840371638	UYXIOYBEUPOKNN-FOIQADDNSA-N	490.477	-1.142	5	20	JABD	
O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835449676	NZGHWPQSICWMPH-QFIPXVFZSA-N	493.517	-1.065	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832804582	SKARLQWADPVEJK-MOPGFXCFSA-N	469.451	-1.137	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c([N+](=O)[O-])c1	1839462036	HJBZGAIQDTUVAK-MGPUTAFESA-N	465.463	-1.263	5	20	JABD	
O=C(CCN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832795763	FZHVLLBZEPXGCZ-HXUWFJFHSA-N	466.495	-1.030	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n(C)c1=O	1841984893	XLSKZENSBHICGJ-UHFFFAOYSA-N	471.434	-1.418	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2	1800281395	FJFZBGHOBSWDBD-IVWMJMPLSA-N	485.457	-1.400	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838825427	VFWAZJNADFMEIF-IBGZPJMESA-N	485.519	-1.277	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1838826872	DAEXBLWTJODCGC-IEBWSBKVSA-N	453.452	-1.357	5	20	JABD	
O=C(CCn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718552	AXLRPCKKCXCWMT-FQEVSTJZSA-N	475.462	-1.105	5	20	JABD	
O=C1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1	11199034	PFNXSVZKYOOSNG-UHFFFAOYSA-N	469.476	-1.025	5	20	JABD	
O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2	1781839067	NAVUYSGCENYZDM-DNVCBOLYSA-N	454.484	-1.268	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831316393	BOGXKIKCNCWSSZ-KDOFPFPSSA-N	488.523	-1.425	5	20	JABD	
O=C(CN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835397232	ABKCWFUIVOMJAU-NRFANRHFSA-N	479.490	-1.455	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835738460	QRDIDWGZVBYJQF-RDTXWAMCSA-N	453.456	-2.160	5	20	JABD	
CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)O	1839717722	UZCYBFSOWLLZQE-JLTOFOAXSA-N	481.462	-1.724	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)n(C)c1=O	1841999048	XOWMAHAPCCGCEP-UHFFFAOYSA-N	485.461	-1.558	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793318464	RNJWHWSJAQCSFF-ZJOBFFGXSA-N	485.519	-1.326	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)n1	1795530379	YNSJVDHWMCQFMJ-BUWBCJGYSA-N	450.452	-1.206	5	20	JABD	
Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1O	1839717659	KWTFHLCIFYDFIG-FQEVSTJZSA-N	476.446	-1.034	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)N1	1832687589	YZZFTMSNBJCOFZ-FZKQIMNGSA-N	465.423	-2.154	5	20	JABD	
CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1832796406	TWYNTQIUGFSNIB-OAQYLSRUSA-N	479.538	-1.115	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837513288	DUDFQCXECGUZRD-PKOBYXMFSA-N	468.467	-2.102	5	20	JABD	
O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839719030	ZZODSTKSBGQFLG-XOBRGWDASA-N	463.447	-1.651	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786104	XSMGAIKZSGUNCA-IFXJQAMLSA-N	485.519	-1.086	5	20	JABD	
O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1790584284	HKZGFKPOMHPSDB-ZOBUZTSGSA-N	472.458	-1.007	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1)C(=O)C(=O)O	1839704025	UWUQZCNWIKBAAL-SFHVURJKSA-N	453.408	-1.464	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718611	DOXNGHFGGDFPQH-OAQYLSRUSA-N	489.441	-1.862	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2	1829484616	LEMAYFFIRRYYLD-INIZCTEOSA-N	462.352	-1.017	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835749014	YNQPQLKIRJGJAU-VBKZILBWSA-N	480.478	-2.194	5	20	JABD	
NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839865144	KIWOVZJXMXHJFC-IBGZPJMESA-N	451.436	-1.522	5	20	JABD	
CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1786648043	SLOMTYOJAXAGSH-YDHLFZDLSA-N	456.477	-1.219	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1832020275	DQMJAFGQOKTLDO-LJQANCHMSA-N	462.419	-1.297	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797218	YVUJHMVWWIPSBZ-SFHVURJKSA-N	460.407	-1.409	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O	1848074475	ZRXZGNQZJCXOPF-GJZGRUSLSA-N	467.504	-1.311	5	20	JABD	
CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)CC1	1790653898	GFJBVKGPGASEBQ-LNLFQRSKSA-N	476.534	-1.016	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831341665	XIHJCUBPJWHTHK-IBGZPJMESA-N	486.503	-1.352	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)Cn5cccc([N+](=O)[O-])c5=O)C4)C3)cc21	1782783740	KGNXNMIUPYVPLW-NRFANRHFSA-N	485.457	-1.160	5	20	JABD	
Cn1cc(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O	15332383	BKXMZTXLOJQEKL-UHFFFAOYSA-N	487.516	-1.093	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	502719256	WIIZVYDKIADDAH-HIFRSBDPSA-N	454.461	-1.066	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837206640	NIYLEACKBLAOBA-CXAGYDPISA-N	456.412	-1.548	5	20	JABD	
CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)C(=O)C(=O)O	1790636896	TUJZNYVGTSYFRB-YDHLFZDLSA-N	479.446	-1.721	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1797786858	LZCKQMJTAZAJSN-CXHZTBPHSA-N	467.435	-1.124	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(=O)C(=O)O	1839702359	VIWHXFVGXMKYJQ-SFHVURJKSA-N	468.423	-2.209	5	20	JABD	
O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835440956	KVUKXVKORAVRMC-HXUWFJFHSA-N	466.495	-1.030	5	20	JABD	
C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717822	RREJJTZUAOEZFB-VLIAUNLRSA-N	465.463	-1.276	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837211141	IBHJKBIPAZAVMG-OXJNMPFZSA-N	497.461	-1.723	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)n(C)c1=O	1844411038	RUXDQIKGHSNZFW-UHFFFAOYSA-N	471.434	-1.418	5	20	JABD	
CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CC1	1797303323	CLTIPERWBXFPRB-CWPLJXCYSA-N	463.495	-1.455	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)C(=O)N1	1832480208	CDRKUPXISYPIRC-HXUWFJFHSA-N	477.430	-1.078	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717990	UZLDVIMQTWXJLR-HXUWFJFHSA-N	492.445	-2.235	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1839919394	DOITUTTXACZYLD-OAQYLSRUSA-N	482.490	-1.343	5	20	JABD	
NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718550	ARUAIBLEVIRQIS-IBGZPJMESA-N	451.436	-1.522	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2	1839784535	PBHFJMFXIQYZAJ-OXJNMPFZSA-N	498.514	-1.210	5	20	JABD	
C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)N1CCN(C)CC1	1832800061	GTYDVHXJZCPKNF-DYESRHJHSA-N	479.538	-1.116	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839783042	QSUGMQMANGOUNH-CXAGYDPISA-N	457.465	-1.035	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836484400	VLSKKHYHNLWYKM-VBKZILBWSA-N	480.478	-1.340	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1832487654	MILBTAOWUPVESE-LJQANCHMSA-N	485.519	-1.277	5	20	JABD	
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	502724116	PUXDKFPHIDLKIY-HOTGVXAUSA-N	476.533	-1.123	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)ncc1[N+](=O)[O-]	1832476763	XTWMZAIRLJUQJO-FQEVSTJZSA-N	476.446	-1.080	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc[nH]c2[N+](=O)[O-])n(C)c1=O	1848150972	JVQJZTALROFBCM-QWRGUYRKSA-N	471.434	-1.419	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2	1800283624	USLOHBNIZZBLET-DBWKPXFBSA-N	459.415	-1.729	5	20	JABD	
CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718952	WEWFWQUKOWPYGU-FQEVSTJZSA-N	496.546	-1.303	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837211143	IBHJKBIPAZAVMG-UZLBHIALSA-N	497.461	-1.723	5	20	JABD	
CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)CC1	1839718247	JREMJWMIILLAEB-QFIPXVFZSA-N	492.533	-1.540	5	20	JABD	
O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1785031968	GINBFMJWPSLJRK-YDHLFZDLSA-N	476.446	-1.712	5	20	JABD	
O=C(Cn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717839	VOKNSEMAPSJFQL-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
O=C(CCn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840449013	WNYFOMFSTBUNNG-FQEVSTJZSA-N	475.462	-1.105	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)n1	1796720099	RXFAKSAVYFIDFO-AODNKKSCSA-N	465.463	-1.148	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1834673099	DRPYYNDEGMJNSQ-KRWDZBQOSA-N	464.527	-1.044	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1796321429	DTXCOQAOFZZUFV-OQMKEHIESA-N	450.452	-1.207	5	20	JABD	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2	1839916494	QCUUESGFLYPCEJ-QMYPENSCSA-N	482.490	-1.056	5	20	JABD	
Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c(=O)nc1O	1782787509	YKBJUFCCFJLLGN-NRFANRHFSA-N	488.457	-1.143	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839719015	YZFBZCMFSKSJEM-NRFANRHFSA-N	497.505	-2.501	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2	1782784396	SHYKTVPYMNMDKQ-HXUWFJFHSA-N	484.429	-1.369	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2	1830587261	BJMODSYTEKZGAE-NODKNVJMSA-N	450.448	-1.016	5	20	JABD	
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	502721683	JFHOGSIHGZBXQO-HZPDHXFCSA-N	476.533	-1.123	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1839917421	MIRDNKNIWFZMMJ-IBGZPJMESA-N	470.483	-2.466	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)N1	1832696396	CSOOWGLQUBKCEA-ZUOKHONESA-N	477.430	-1.032	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1829485432	GSGOLUBTOVGLKK-PKOBYXMFSA-N	454.436	-1.092	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cc2n(n1)CCCNC2=O	1797323702	TUOOKCGHEAOWTQ-HBCWATKFSA-N	499.484	-1.010	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1	1832797381	DRXUMCFTRGUDNH-LJQANCHMSA-N	471.434	-1.001	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CC1	1836672041	LDBQNLWDGCREEJ-LJQANCHMSA-N	451.484	-1.365	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717315	FVGZKRAJKYPFCD-XOBRGWDASA-N	480.478	-2.194	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832800862	KUWIULPTRZSBIJ-FXAWDEMLSA-N	497.461	-1.258	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1839718164	DVENSPJVEUDFPB-PZJWPPBQSA-N	495.489	-2.137	5	20	JABD	
C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718264	LCLDZTVJWWYNJJ-BTYIYWSLSA-N	477.474	-1.096	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787400	POQZNXFHBLOEHI-KXBFYZLASA-N	467.435	-1.349	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO3)N1	1829481443	RHYAOXHVVCIZKY-ADLMAVQZSA-N	451.392	-1.144	5	20	JABD	
O=C(Cn1cncn1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836139173	FUMAHAAPTFWENZ-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1782784517	UUTZYMUJMMPYID-DJJJIMSYSA-N	451.436	-1.351	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1832800778	HWLSVJQEAATBRL-HKUYNNGSSA-N	468.467	-2.102	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1839718740	LKBGEBKSRHGLJX-JXFKEZNVSA-N	498.514	-1.210	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831341666	XIHJCUBPJWHTHK-LJQANCHMSA-N	486.503	-1.352	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CC1	1836676087	WNVOJXKRYPHMML-QFIPXVFZSA-N	492.533	-1.540	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837521316	ZKPDHLDTCBWPBU-MJGOQNOKSA-N	453.452	-1.357	5	20	JABD	
O=C(Cn1ccncc1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839665163	OCWPRLNHGDNIOD-NRFANRHFSA-N	488.457	-1.530	5	20	JABD	
CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)O	1839717825	UZCYBFSOWLLZQE-XOBRGWDASA-N	481.462	-1.724	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1	1843235605	HWKQFUYFWUHPIV-UHFFFAOYSA-N	455.391	-1.600	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)n1	1796718488	JYWSZTHIWKLKMZ-DDIVZENXSA-N	462.419	-1.200	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)N1	1837792711	BKRAJSPYPBNFOO-BMLIUANNSA-N	451.396	-2.014	5	20	JABD	
CS(=O)(=O)N1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	604543466	QFBZWTNKKMIJKP-UHFFFAOYSA-N	463.538	-1.043	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832801247	WTOAUILYJDCGTJ-VQIMIIECSA-N	468.467	-1.601	5	20	JABD	
C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793110	DGUGYARYMJSLQH-KDOFPFPSSA-N	473.508	-1.072	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837384767	HYNAOOKBHZMKCW-YCRPNKLZSA-N	494.505	-1.080	5	20	JABD	
N=C(N)SCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717540	NGZPNICDHRECRB-SFHVURJKSA-N	468.492	-1.160	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1782782506	JGMJHQJRIIWINX-BLVKFPJESA-N	462.419	-1.816	5	20	JABD	
Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)n1	1797628060	MFUTUKXRROBCBR-DPIQGUFMSA-N	460.451	-1.321	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839273439	OPJYLFFLEUMARR-VBKZILBWSA-N	465.463	-1.037	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21	1790654093	QTHYWANWVWPZGD-PYWIUJKZSA-N	479.490	-1.613	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1832487652	MILBTAOWUPVESE-IBGZPJMESA-N	485.519	-1.277	5	20	JABD	
CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(=O)O	1835751667	FWYWEQNOPBEQDA-RDTXWAMCSA-N	454.440	-1.690	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1839919266	YDFHXKPHRWXPMM-IBGZPJMESA-N	455.468	-1.721	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)n1	1840920077	VIOOSEUMKXOVSL-GOSISDBHSA-N	452.424	-1.263	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2	1781560624	WROUROIZTOQDNK-NQSCKRDGSA-N	493.517	-1.079	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1	1832796387	YWJSAZDHNIFZHJ-LJQANCHMSA-N	462.419	-1.040	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2	1794004006	YWPSHOGMYJXTPR-ZSBFGKGUSA-N	470.508	-1.194	5	20	JABD	
O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835449675	NZGHWPQSICWMPH-JOCHJYFZSA-N	493.517	-1.065	5	20	JABD	
CS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717604	QNNJJKSMHFBMCK-SFHVURJKSA-N	472.476	-1.743	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837608995	KZFGPUAISHVTFH-RBZFPXEDSA-N	488.461	-1.004	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837796150	OXCKQZANRXSAQA-GOSISDBHSA-N	486.507	-1.187	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2	1800284856	BDIBXVYORMIKTA-HBCWATKFSA-N	458.431	-1.397	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1	508387305	IDQJFRAQBGHWBL-GJZGRUSLSA-N	454.461	-1.378	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282100	IGKYFIYYECRYNF-LORHWOILSA-N	494.457	-1.159	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717314	FVGZKRAJKYPFCD-VBKZILBWSA-N	480.478	-2.194	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n(C)c1=O	15928834	MJUMMRJMMZYKDP-UHFFFAOYSA-N	491.486	-1.125	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793727	RRUMRNZBXPJLRT-KBXCAEBGSA-N	488.523	-1.425	5	20	JABD	
O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1800581570	JSRNAXYFEQDWOR-CCWDJLKJSA-N	467.479	-2.367	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2	1793836626	DQRDIHXMDPNJSV-DABQJJPHSA-N	456.481	-1.749	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CC1	1782781890	HWEWROFNDSZDEN-JOCHJYFZSA-N	490.517	-1.250	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21	1785217009	VWSOGQKTNCKUGQ-OWIUFQIYSA-N	452.468	-1.578	5	20	JABD	
CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837796955	KNHXDWBXQBOSGD-KRWDZBQOSA-N	455.497	-1.128	5	20	JABD	
CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2)C(=O)C(=O)O	1838828124	JCFYBOKKNQVCOZ-GOSISDBHSA-N	453.408	-1.464	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H](O)N1CCOCC1	1797809132	XEXCKWNLLJMQTO-ACNBBOPNSA-N	465.463	-2.003	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836484399	VLSKKHYHNLWYKM-JLTOFOAXSA-N	480.478	-1.340	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)C(=O)C(=O)O)n1	1800260377	SPDBZJFSSCNWMT-QHBPRCKVSA-N	465.419	-1.255	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)C(=O)O	1782788894	KVNLENIVVURRHJ-LJQANCHMSA-N	465.419	-1.871	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cnc(O)nc1O	1796349160	FLIZJGGUZZTZTJ-QHBPRCKVSA-N	460.403	-1.139	5	20	JABD	
C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O)N1CCN(C)CC1	1800284029	NIPURFYKFJJOIT-PDOICOKGSA-N	476.534	-1.018	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837465961	ROWBGHASKQPXLM-KRWDZBQOSA-N	455.497	-1.128	5	20	JABD	
Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)no1	1837544802	HMBGPUBIYROVRT-FQEVSTJZSA-N	491.461	-1.026	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793770	SYQPRALJPFWVNF-HXUWFJFHSA-N	476.446	-1.437	5	20	JABD	
C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837694406	CKVFOCUKQAXWSK-LIRRHRJNSA-N	450.452	-1.062	5	20	JABD	
Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1833845309	JOROXWPGDZELBA-LJQANCHMSA-N	461.435	-1.345	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1837796989	MMQPJKMAKRFHFF-AEFFLSMTSA-N	454.440	-1.962	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797790637	SHTVISGKRTVWEL-HIRMHNASSA-N	494.457	-1.159	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1	1839717666	LHOQHWUCMLDFBH-NODKNVJMSA-N	450.448	-1.016	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1	1845823726	KATHSJMOHVBFPS-UHFFFAOYSA-N	467.504	-1.310	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2	1833469948	OHLOPWIWQTXJQS-LJQANCHMSA-N	462.419	-1.040	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)C(=O)N1	1838825271	MIVLSJCQPQSXDK-GOSISDBHSA-N	450.408	-1.455	5	20	JABD	
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	502724117	PUXDKFPHIDLKIY-HZPDHXFCSA-N	476.533	-1.123	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1835748775	USIUDEJCDCJFTC-JLTOFOAXSA-N	465.463	-1.037	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO3)C(=O)N1	1839273588	KIZUFATVLHFPMC-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1832022609	FBOIHQLQWSJAPN-LJQANCHMSA-N	462.419	-1.297	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832796437	UYHGPWMTBAUOKP-KBXCAEBGSA-N	453.456	-1.305	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	612647987	UMSXHHATBOLNMS-UHFFFAOYSA-N	461.431	-1.150	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1778353388	SVNGPZFJURUUHC-FQEVSTJZSA-N	463.495	-1.215	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793154	FKFNGACNRYRSLH-GOSISDBHSA-N	465.423	-2.201	5	20	JABD	
CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718055	YEFJLMBNTZZNHB-LJQANCHMSA-N	451.436	-1.651	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)n1	1783255859	IHCOGFABUSTWJP-HXUWFJFHSA-N	467.479	-1.272	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837792985	RFUAETFMMMZOJQ-KRWDZBQOSA-N	451.396	-2.060	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2	1794000639	XMVOALSBGJGALL-DPIQGUFMSA-N	458.435	-1.365	5	20	JABD	
COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831038968	BEWASGCKPXZDSA-LJQANCHMSA-N	454.436	-1.168	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837727169	KQOJVKBMGSCWJJ-APWZRJJASA-N	468.467	-1.601	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)N1	1838825500	YTHRJNWNEYWINU-XIKOKIGWSA-N	450.408	-1.409	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1838328589	SBSZOILDGBKAGK-SFHVURJKSA-N	460.407	-1.409	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-]	1788812517	GOSXGWLERGMNAM-KWBADKCTSA-N	457.407	-1.044	5	20	JABD	
CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCC1=O	1832380515	MFDDBDQXDALWLD-NRFANRHFSA-N	490.473	-1.179	5	20	JABD	
O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)=NN1	1837366237	QENQDWYBBMBJCF-IBGZPJMESA-N	462.419	-1.911	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839782036	LTLQWEDCWGQRCF-SJKOYZFVSA-N	457.465	-1.035	5	20	JABD	
CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)C(=O)O	1782754460	RFVAOFRMCCIUDO-IBGZPJMESA-N	465.419	-1.871	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837467407	KCTBDEFLGTVJJU-HXUWFJFHSA-N	496.546	-1.303	5	20	JABD	
C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)n1cnnn1	1840480545	WIGNPEKBIXIHBY-IFXJQAMLSA-N	476.450	-1.539	5	20	JABD	
C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832800184	AHOJMXWMVDPQBX-IFXJQAMLSA-N	450.452	-1.062	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790652264	HJQHBNLUWQCPOF-AYDFFVQHSA-N	464.479	-1.671	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282800	XJLWTPPUQQXPTM-OQMKEHIESA-N	450.452	-1.207	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2	1800282746	RBJBSTLYNLCIHP-CCWDJLKJSA-N	497.530	-1.228	5	20	JABD	
O=C(CCn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718553	AXLRPCKKCXCWMT-HXUWFJFHSA-N	475.462	-1.105	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840264084	HVVAJSPIIGKZOO-NRFANRHFSA-N	489.441	-1.862	5	20	JABD	
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	502721682	JFHOGSIHGZBXQO-HOTGVXAUSA-N	476.533	-1.123	5	20	JABD	
CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)CC1	1778262983	BUNBGICIXCZMKM-OAQYLSRUSA-N	462.507	-1.166	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787398	POQZNXFHBLOEHI-HNAYVOBHSA-N	467.435	-1.349	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)n1	1795634456	WMUIFOJYHOIJOW-AZKPJATDSA-N	450.452	-1.206	5	20	JABD	
O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1839871363	GWCMRJXXDPTDGE-XOBRGWDASA-N	463.447	-1.651	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)Cn5cccc([N+](=O)[O-])c5=O)C4)C3)cc21	1782783741	KGNXNMIUPYVPLW-OAQYLSRUSA-N	485.457	-1.160	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832796441	UYHGPWMTBAUOKP-KDOFPFPSSA-N	453.456	-1.305	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)C(=O)C(=O)O	1837799007	MDQLHAFUDYQTRP-KRWDZBQOSA-N	454.396	-2.069	5	20	JABD	
O=C(CCN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717658	ROMCYEYLRRTPHD-JOCHJYFZSA-N	493.517	-1.065	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)ncc1[N+](=O)[O-]	1832691944	UUMLRDFMXZODFO-XCLFUZPHSA-N	476.446	-1.034	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717802	QHQRLVKRYOUGMQ-FQEVSTJZSA-N	480.478	-1.516	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783694	IOZQRRJOWHJDLM-BFUOFWGJSA-N	450.452	-1.821	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1836508276	STFYDWDPBNVRJA-PXAZEXFGSA-N	457.465	-1.035	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837799091	QXJJDXHEXPNDGU-SFHVURJKSA-N	463.407	-1.038	5	20	JABD	
O=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)=NN1	1839718472	XFEMVHWKHAABFA-IBGZPJMESA-N	462.419	-1.911	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)C(=O)O	1839718642	FXPOGKIFYIJIJP-FQEVSTJZSA-N	495.445	-2.244	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1	1832696153	AJPVNUISFGJDKR-SGTLLEGYSA-N	450.408	-1.409	5	20	JABD	
CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CC1	1797237532	GXQNDUUEJHAVRQ-CWPLJXCYSA-N	462.507	-1.407	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832804604	SKARLQWADPVEJK-RTBURBONSA-N	469.451	-1.137	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837731145	OGSRETXDPSGPQA-SCLBCKFNSA-N	454.440	-1.461	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)c([N+](=O)[O-])cc1O	1838602179	RLFHYVCFGUULRC-QKKBWIMNSA-N	495.489	-1.028	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-]	1798012128	WXHKJCLPIUAVPJ-FAXLKDOZSA-N	460.451	-1.008	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2	1829490499	XRLDULFYAZTDHS-LJQANCHMSA-N	456.452	-1.456	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797037	OGIPNYOCLIAUNT-CXAGYDPISA-N	456.412	-1.548	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1	1781560419	KUNCOVSBBDGYQV-CMPZQBNXSA-N	478.506	-1.137	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787392	POQZNXFHBLOEHI-BEFAXECRSA-N	467.435	-1.349	5	20	JABD	
CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(=O)O	1800282750	RKWVQSHXAMPLBV-IPJQOSJUSA-N	451.436	-1.591	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282767	TVEMLVYBQPXCJK-IPJQOSJUSA-N	450.452	-2.061	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CN1	1832793173	FWYKPNFWHWAKRE-LIRRHRJNSA-N	450.452	-1.226	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832800236	MNGGATODRAMRNM-LJQANCHMSA-N	477.434	-1.178	5	20	JABD	
Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)n1	1833883561	PSHXSQOCFSAPCK-LJQANCHMSA-N	461.435	-1.345	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1837796992	MMQPJKMAKRFHFF-WMZOPIPTSA-N	454.440	-1.962	5	20	JABD	
O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2	1800579952	SBCUBHUPZBHEHS-ZSBFGKGUSA-N	480.474	-1.187	5	20	JABD	
CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718443	UYJXDSVDBLIFBV-HXUWFJFHSA-N	496.546	-1.303	5	20	JABD	
NC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1783288394	QMIYNBKZVZSFDM-AUUYWEPGSA-N	450.452	-1.061	5	20	JABD	
Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(=O)nc1O	1840807206	CQJDLRGHEPVBMT-LJQANCHMSA-N	477.434	-1.341	5	20	JABD	
O=C(Cn1cnnn1)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	727431472	QMXFMZKXPPKASP-UHFFFAOYSA-N	466.480	-1.049	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c([N+](=O)[O-])c1	1839462040	HJBZGAIQDTUVAK-YWZLYKJASA-N	465.463	-1.263	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1835565622	FOVXGZFBIGCNSW-JXFKEZNVSA-N	465.463	-1.037	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783984	LNFMJLHNVPLVNM-DJJJIMSYSA-N	450.452	-1.821	5	20	JABD	
CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797760143	ZLHZCOUPNKWOCC-FVCICTRLSA-N	466.520	-1.170	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)n1	1800282324	UJDJMMWCMMRSBZ-DPIQGUFMSA-N	460.451	-1.321	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)N1	1832696390	CSOOWGLQUBKCEA-RNODOKPDSA-N	477.430	-1.032	5	20	JABD	
O=C(CN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835393236	NWINUSRVGUZBGX-LJQANCHMSA-N	452.468	-1.420	5	20	JABD	
O=C(Cn1cnnn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717320	GGUNFXYTRXFMTL-GOSISDBHSA-N	462.423	-2.100	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837512433	KSDWWVPWVMLJSR-PKOBYXMFSA-N	454.436	-1.092	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837799078	PYVHSJBPQSKIDC-GOSISDBHSA-N	456.456	-2.326	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1	1836508014	GYQNOZQYEZHDGX-FOIQADDNSA-N	490.477	-1.142	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837792978	QRVHVRIKUJXFLK-YVEFUNNKSA-N	474.496	-1.284	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1837796991	MMQPJKMAKRFHFF-SJLPKXTDSA-N	454.440	-1.962	5	20	JABD	
CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2)C(=O)C(=O)O	1839274521	CUKGZQCYMUCURB-HXUWFJFHSA-N	480.430	-1.087	5	20	JABD	
CNC(=O)CN1CCN(C(=O)c2ccc(C(=O)N3CCN(CC(=O)NC)CC3)c([N+](=O)[O-])c2)CC1	609043954	JVQAVNLOYHERPG-UHFFFAOYSA-N	489.533	-1.398	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832796442	UYHGPWMTBAUOKP-KSSFIOAISA-N	453.456	-1.305	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1839213326	ZHCYNPAMVNDSTH-HNAYVOBHSA-N	450.452	-1.132	5	20	JABD	
COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c([N+](=O)[O-])c1	1839232943	LOVLFUNVELBZAK-JXFKEZNVSA-N	451.480	-1.112	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1778788564	IGMJDSZPDIZKRE-HNAYVOBHSA-N	467.435	-1.349	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1	1796574640	UFNFDPGFASMLPI-ZSBIGDGJSA-N	469.418	-1.166	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837376086	RLVJRIBVLVAHOM-AUUYWEPGSA-N	467.483	-1.045	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832802712	APZKTSNOFUAOCB-IBGZPJMESA-N	462.419	-1.827	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718319	NRWJNNIMIBSHLY-YCRPNKLZSA-N	494.505	-1.080	5	20	JABD	
O=C(Cn1cnnn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717321	GGUNFXYTRXFMTL-SFHVURJKSA-N	462.423	-2.100	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835749013	YNQPQLKIRJGJAU-JLTOFOAXSA-N	480.478	-2.194	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1	1839718205	GIOLPOSSWRTJSL-LJQANCHMSA-N	462.419	-1.045	5	20	JABD	
CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)C(=O)O	1832800375	PDJMOPNVTDITCI-GOSISDBHSA-N	468.423	-2.209	5	20	JABD	
CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1835763738	MOFZSZKATDWDGX-VBKZILBWSA-N	481.462	-1.724	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1	1838627422	AVAXISPHARXRLH-QKKBWIMNSA-N	493.473	-1.014	5	20	JABD	
O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1784952499	CIIXVYZIIAXJNA-YDHLFZDLSA-N	476.446	-1.712	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)C(=O)N1	1832472086	UZPCOYFCCJIRTO-GOSISDBHSA-N	451.392	-1.190	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835738458	QRDIDWGZVBYJQF-KDOFPFPSSA-N	453.456	-2.160	5	20	JABD	
C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)N1CCN(C)CC1	1799186668	PAVFRYRZOLVEKJ-PDOICOKGSA-N	476.534	-1.018	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2)C(=O)C(=O)O	1829490114	QHXJTLNOCMUTLQ-SFHVURJKSA-N	454.392	-1.199	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1	1832696156	AJPVNUISFGJDKR-XIKOKIGWSA-N	450.408	-1.409	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840261710	UVBVEOWWEAODHW-IBGZPJMESA-N	462.419	-1.827	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837384766	HYNAOOKBHZMKCW-VFNWGFHPSA-N	494.505	-1.080	5	20	JABD	
C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718950	WCCSJKBTRAZBJP-KUHUBIRLSA-N	451.436	-1.653	5	20	JABD	
O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793945463	MCLAIWBFKJIQLK-BUWBCJGYSA-N	462.419	-2.056	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H]1CCCS1(=O)=O	1800394219	OESSYECDSFNOGN-YXPYIKCWSA-N	468.488	-1.077	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839717655	KPKRCKFGBRMMDQ-YCRPNKLZSA-N	477.474	-1.261	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)n1	1840262925	PRWSVHHVZPSGDW-OAQYLSRUSA-N	489.441	-1.007	5	20	JABD	
C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)n1cnnn1	1839718623	FFZUUZZBQCCMFM-LIRRHRJNSA-N	476.450	-1.539	5	20	JABD	
CN(C)C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717869	WSTVIKSCJPSZKL-LJQANCHMSA-N	451.436	-1.699	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282082	GZZLOZITRYJQHV-BASYENTBSA-N	465.463	-1.503	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832800233	MNGGATODRAMRNM-IBGZPJMESA-N	477.434	-1.178	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)n1	1835739939	UPUBZGGOEQMUDN-ZUOKHONESA-N	480.478	-1.339	5	20	JABD	
CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718054	YEFJLMBNTZZNHB-IBGZPJMESA-N	451.436	-1.651	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837519814	FOEJXSKBNFKTDH-AEFFLSMTSA-N	454.440	-1.962	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(=O)C(=O)O	1839703374	FNUKBBCTEPUJQE-KRWDZBQOSA-N	454.396	-2.069	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793484	MEUOHNRDBLEJTO-KRWDZBQOSA-N	459.481	-1.318	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1782788474	ZGIWLXZMNBEKQM-AZUAARDMSA-N	465.463	-1.763	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798420	ODBBJFKIBHMTCN-MAUKXSAKSA-N	470.439	-1.688	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21	1785215195	JALWVARAVMWECK-UBHSHLNASA-N	460.384	-1.504	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)N1	1832690979	MONMEWNOQFAEKS-BMLIUANNSA-N	451.396	-2.014	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838825428	VFWAZJNADFMEIF-LJQANCHMSA-N	485.519	-1.277	5	20	JABD	
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CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2	1836507965	FGBPKVLVDPFGJF-KRWDZBQOSA-N	455.497	-1.128	5	20	JABD	
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CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1831325512	YMURCIQLRJLBIX-PXAZEXFGSA-N	474.496	-1.284	5	20	JABD	
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CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837464534	GVEBMMHJERMHGJ-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2	1781560805	CJGOSRGIVSJGEJ-QVKFZJNVSA-N	490.473	-1.178	5	20	JABD	
O=C(Cn1ccncc1=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786634	BQBJKPRBJDGGIO-FQEVSTJZSA-N	458.431	-1.157	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2	1800284965	KOHRCACYYRXLNG-CCWDJLKJSA-N	467.479	-2.367	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1832017701	CGTSUEGUYUWWIO-HXUWFJFHSA-N	476.446	-1.437	5	20	JABD	
N=C(N)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835578140	HGLQJMXLRMBMEA-SFHVURJKSA-N	451.440	-2.304	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837203069	HQJMQMPNBQZGHW-YJBOKZPZSA-N	470.439	-1.688	5	20	JABD	
CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)C(=O)O	1782754469	RFVAOFRMCCIUDO-LJQANCHMSA-N	465.419	-1.871	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718316	NRWJNNIMIBSHLY-BTYIYWSLSA-N	494.505	-1.080	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832800872	KUWIULPTRZSBIJ-XLIONFOSSA-N	497.461	-1.258	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837694404	CKVFOCUKQAXWSK-KUHUBIRLSA-N	450.452	-1.062	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)n1	1796719255	ZSURTNAXMITYIV-AZKPJATDSA-N	450.452	-1.206	5	20	JABD	
CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832800688	XQLCVUXJWDBSNB-GOSISDBHSA-N	469.524	-1.268	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837500643	ZQXXIZZZVSGYKJ-HNAYVOBHSA-N	483.434	-1.117	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1	1781560459	DENJDDNEOMDMIN-CMPZQBNXSA-N	478.506	-1.137	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21	1790652187	HQGHSMJDOMNRJL-XPCVCDNBSA-N	476.446	-1.666	5	20	JABD	
O=C(Cn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836213112	XRWPYBUJYHLCSJ-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2	1836257672	GWHYFIXBUKFXOU-GOSISDBHSA-N	495.474	-1.147	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837792975	QRVHVRIKUJXFLK-PXAZEXFGSA-N	474.496	-1.284	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c([N+](=O)[O-])cc1O	1835560874	MXBPVJONHGCUQX-LHSJRXKWSA-N	495.489	-1.028	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837462444	JVOMOCJWLPTSPW-GOSISDBHSA-N	469.524	-1.268	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839415141	RWIZKVZSYBQBBV-NRFANRHFSA-N	482.490	-1.343	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800284898	FNIMYDFHRGUARE-QLBVAGGCSA-N	466.447	-1.038	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1801008648	VEBLHEIDKWLTGK-NGVQZCTJSA-N	466.447	-1.038	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)n1	1835563011	SFOODNYCGIUWEF-RNODOKPDSA-N	480.478	-1.339	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2	1829481625	VNFKYFRPMKWAEV-IBGZPJMESA-N	486.503	-1.012	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1832800788	HWLSVJQEAATBRL-MJGOQNOKSA-N	468.467	-2.102	5	20	JABD	
CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)CC1	1837796283	WKIORSIQUWZFJJ-LJQANCHMSA-N	451.484	-1.365	5	20	JABD	
Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)ncc1[N+](=O)[O-]	1800582397	IUBMNLXYGIQRCV-CCWDJLKJSA-N	451.480	-1.212	5	20	JABD	
COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718969	XFCXRJIQVYWQGL-LJQANCHMSA-N	467.435	-1.431	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837520582	CTXVQHSQIVGDMY-FPOVZHCZSA-N	495.489	-2.137	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837792986	RFUAETFMMMZOJQ-QGZVFWFLSA-N	451.396	-2.060	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797106	RBSXFMCSQOQPDF-RNODOKPDSA-N	488.461	-1.004	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	502719257	WIIZVYDKIADDAH-UKRRQHHQSA-N	454.461	-1.066	5	20	JABD	
CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O	914924010	ROOFRHKXMLRKLS-UHFFFAOYSA-N	478.505	-1.138	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1832020274	DQMJAFGQOKTLDO-IBGZPJMESA-N	462.419	-1.297	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1832487442	KTTOULQHYJWSII-SFHVURJKSA-N	486.507	-1.882	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)cc21	1834564061	VOESBWWCZPWYCS-IBGZPJMESA-N	474.434	-1.358	5	20	JABD	
Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717730	LWXWYBADEBQUMN-IBGZPJMESA-N	461.435	-1.345	5	20	JABD	
CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1)C(=O)C(=O)O	1785218959	OHFLTBMJDKAAMP-UBHSHLNASA-N	452.424	-1.686	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1840371116	PUFINYYSLXMNAK-FOIQADDNSA-N	490.477	-1.142	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837496836	QAAPKAMLBITAKC-PXNSSMCTSA-N	497.461	-1.258	5	20	JABD	
Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)no1	1837544803	HMBGPUBIYROVRT-HXUWFJFHSA-N	491.461	-1.026	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)n1	1832478062	ITKYDWWAGDDSKS-FQEVSTJZSA-N	492.445	-1.380	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790654071	PUZRKQKULLHPFZ-HPZZRFSDSA-N	481.462	-1.199	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797039	OGIPNYOCLIAUNT-GUYCJALGSA-N	456.412	-1.548	5	20	JABD	
NC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1	1838627713	KBTMTUJNKOUYIM-ORAYPTAESA-N	451.436	-1.321	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1829485421	GSGOLUBTOVGLKK-HKUYNNGSSA-N	454.436	-1.092	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1830048792	IQDIPRBWXAIMFQ-FQEVSTJZSA-N	480.478	-1.516	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1796436060	IZOUGOCONBCLAY-ZSBFGKGUSA-N	470.508	-1.194	5	20	JABD	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	29384085	IEDNMGKZLOGQMB-UHFFFAOYSA-N	467.460	-1.088	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1	1834736368	ODICYMOEDSTSHP-QGZVFWFLSA-N	491.549	-1.079	5	20	JABD	
O=C(COCCO)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839195566	YLFKUAGREIORJQ-LJQANCHMSA-N	454.436	-1.778	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1839654714	GJLNRDWOWFXUGB-KRWDZBQOSA-N	455.497	-1.128	5	20	JABD	
NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718551	ARUAIBLEVIRQIS-LJQANCHMSA-N	451.436	-1.522	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CN1	1832793168	FWYKPNFWHWAKRE-AUUYWEPGSA-N	450.452	-1.226	5	20	JABD	
O=C(Cn1nccn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718539	AGBWTBAOARJMQP-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2	1800282265	OKWLRHRQLAOPQX-QOIYZWAUSA-N	465.463	-2.003	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837516569	FBJKSTBZYSUHNS-SJLPKXTDSA-N	454.440	-1.962	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)N1	1838825499	YTHRJNWNEYWINU-SGTLLEGYSA-N	450.408	-1.409	5	20	JABD	
CN1CCN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1	30697751	JXWKXMVKIJMVKK-UHFFFAOYSA-N	454.509	-1.039	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)C(=O)N1	1832479385	JKAWEVHOZRSOPC-QGZVFWFLSA-N	451.396	-2.060	5	20	JABD	
CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835258499	QAFWPYMEYJXRND-SFHVURJKSA-N	472.476	-1.743	5	20	JABD	
CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837799109	SNVNDNPTNQWSKT-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1832800574	VHZPOPGQEBHYCT-QAPCUYQASA-N	471.492	-1.175	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1831325520	YMURCIQLRJLBIX-SJKOYZFVSA-N	474.496	-1.284	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1834733962	MAILZVGLMABADB-QGZVFWFLSA-N	464.527	-1.044	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1831323126	IOYUCMOTPPCKCR-PXAZEXFGSA-N	474.496	-1.284	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717260	CGHLEKABKRAMAW-VLIAUNLRSA-N	480.478	-2.194	5	20	JABD	
NC(=O)CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1	589807083	WVKSDBXSTNPCOM-UHFFFAOYSA-N	456.525	-1.187	5	20	JABD	
C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837702868	NXLMRSPOGOUZHW-YCRPNKLZSA-N	477.474	-1.096	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1779096828	OSLIDMIIPIINPG-AZUAARDMSA-N	465.463	-1.763	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832802729	APZKTSNOFUAOCB-LJQANCHMSA-N	462.419	-1.827	5	20	JABD	
O=C(Cn1ccnn1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836213111	XRWPYBUJYHLCSJ-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282768	TVEMLVYBQPXCJK-LKQDWFRTSA-N	450.452	-2.061	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1	1834676300	ZRIJLIJTFIWUMI-KRWDZBQOSA-N	491.549	-1.079	5	20	JABD	
N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1	1834678495	ZKJPESMSMPJSPV-UHFFFAOYSA-N	462.511	-1.189	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793318463	RNJWHWSJAQCSFF-VWPFQQQWSA-N	485.519	-1.326	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837792977	QRVHVRIKUJXFLK-SJKOYZFVSA-N	474.496	-1.284	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839717649	KPKRCKFGBRMMDQ-BTYIYWSLSA-N	477.474	-1.261	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)n1	1835739937	UPUBZGGOEQMUDN-RNODOKPDSA-N	480.478	-1.339	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797970237	HGJOLIQWXHRNEL-KRXQYRFLSA-N	465.463	-1.503	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2	1800281491	OROXZSFSCOSWLS-CCWDJLKJSA-N	497.530	-1.924	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1839669111	HQSSAWOJDBJUMO-GOSISDBHSA-N	463.407	-1.038	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717733	MABDLEHYLDXQBV-LJQANCHMSA-N	486.503	-1.352	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO4)cc21	1837794543	WKLCUCKYOUCINJ-IBGZPJMESA-N	474.434	-1.358	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840181875	NWYQSVNPLBKCPQ-RTWAWAEBSA-N	496.473	-1.171	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1	1835746161	SDXZQDVCWZYZJP-SPLOXXLWSA-N	493.473	-1.014	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797217	YVUJHMVWWIPSBZ-GOSISDBHSA-N	460.407	-1.409	5	20	JABD	
CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793321379	DZUUKCIXWHRJBN-FVCICTRLSA-N	456.477	-1.219	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837513285	DUDFQCXECGUZRD-HKUYNNGSSA-N	468.467	-2.102	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2)C(=O)C(=O)O	1839415219	XIENFJYEIZQHFN-FQEVSTJZSA-N	480.430	-1.087	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5nc[nH]c5[N+](=O)[O-])C4)C3)cc21	1834562279	RSXXYXBFXUPIRG-LJQANCHMSA-N	474.434	-1.358	5	20	JABD	
CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2)C(=O)C(=O)O	1836508245	RFIRVNRHCDWUCL-QGZVFWFLSA-N	454.396	-2.069	5	20	JABD	
Cn1cnc2c1c(=O)n(CC(=O)N1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)c(=O)n2C	15928608	GDTLSLDWHXBOEA-UHFFFAOYSA-N	491.486	-1.125	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797872573	CPZAVJNVULXGJX-ZTENYAIWSA-N	499.484	-1.045	5	20	JABD	
CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)O	1839717824	UZCYBFSOWLLZQE-VLIAUNLRSA-N	481.462	-1.724	5	20	JABD	
O=C(Cn1cncn1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836139170	FUMAHAAPTFWENZ-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1830041427	NEBLLNGJGOZMPM-SFHVURJKSA-N	453.456	-1.481	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)n1	1835739938	UPUBZGGOEQMUDN-XCLFUZPHSA-N	480.478	-1.339	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CCN1	1840228992	QNCAXPYNZHEGGI-IFXJQAMLSA-N	450.452	-1.226	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)c1nc[nH]c1[N+](=O)[O-]	1778063207	CXNZXRMEJBQOHP-AUUYWEPGSA-N	454.484	-1.268	5	20	JABD	
CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CC1	1795445732	ACKBIWMINBVYSU-UPHUGPLXSA-N	476.534	-1.016	5	20	JABD	
C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831607830	AHXPGVHTVSGJAI-JLTOFOAXSA-N	465.463	-1.276	5	20	JABD	
CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)O	1832796061	MAHUAJWQNKSQJT-KSSFIOAISA-N	454.440	-1.690	5	20	JABD	
Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c(=O)nc1O	1837800019	OJMGNWVXJGVTQO-LJQANCHMSA-N	477.434	-1.341	5	20	JABD	
O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1	1845824426	OXFCSNGGFOZMPT-UHFFFAOYSA-N	455.391	-1.600	5	20	JABD	
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C)c1=O	15326024	MXJCZGDBQSEDLL-UHFFFAOYSA-N	473.489	-1.313	5	20	JABD	
Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717762	ODDKMVOUZOSWRJ-IBGZPJMESA-N	461.435	-1.345	5	20	JABD	
O=C1CN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)C(=O)N1	1800281529	UDISRYXMTCCWOF-DPIQGUFMSA-N	462.419	-2.102	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1	1833784607	SJTFGQWFGKOKNF-MRXNPFEDSA-N	476.494	-1.039	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)N1	1837792713	BKRAJSPYPBNFOO-DYZYQPBXSA-N	451.396	-2.014	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2	1838641058	JOWMHZKAMDLVDB-HXUWFJFHSA-N	474.430	-1.390	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838828147	KFGZXUMMPLHXOI-IBGZPJMESA-N	455.468	-1.721	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=N)N)C3)C2)c([N+](=O)[O-])c1	1839462023	HDXYTLAZVAQBSW-FQEVSTJZSA-N	478.462	-1.066	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787395	POQZNXFHBLOEHI-DNVCBOLYSA-N	467.435	-1.349	5	20	JABD	
Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)c(=O)nc1O	1785353689	KVFPVUCFRJVYIZ-NRFANRHFSA-N	488.457	-1.143	5	20	JABD	
CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1832796404	TWYNTQIUGFSNIB-NRFANRHFSA-N	479.538	-1.115	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2	1836507938	BMXVNRCORNQFQJ-SFHVURJKSA-N	456.456	-2.326	5	20	JABD	
COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c([N+](=O)[O-])c1	1839232944	LOVLFUNVELBZAK-OXJNMPFZSA-N	451.480	-1.112	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837208970	PGQXUVXESNTECQ-SUMWQHHRSA-N	456.412	-1.548	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837500645	ZQXXIZZZVSGYKJ-KXBFYZLASA-N	483.434	-1.117	5	20	JABD	
O=C(COCCO)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718869	RXHZTIYSBPYFJY-LJQANCHMSA-N	454.436	-1.778	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2	1801285081	KLBDZNDOWKTWRA-AYRXBEOTSA-N	460.451	-1.008	5	20	JABD	
C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)N1CCN(C)CC1	1799186667	PAVFRYRZOLVEKJ-LJCCNALRSA-N	476.534	-1.018	5	20	JABD	
CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800283205	BNDJLHJQPNDLOD-FVCICTRLSA-N	456.477	-1.219	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)n1	1832325371	GFMRXOQBGYOKJO-FQEVSTJZSA-N	492.445	-1.380	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837497018	CDETYCUUDLLRCK-KUHUBIRLSA-N	483.434	-1.117	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cc(=O)n2[nH]cnc2n1	1795731550	RAPPRAUTWUSQCO-DPIQGUFMSA-N	484.429	-1.609	5	20	JABD	
N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835578139	HGLQJMXLRMBMEA-GOSISDBHSA-N	451.440	-2.304	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)N1	1839717817	RIOXPZXFXRUQSU-ZUOKHONESA-N	492.445	-2.189	5	20	JABD	
C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717820	RREJJTZUAOEZFB-JLTOFOAXSA-N	465.463	-1.276	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837520584	CTXVQHSQIVGDMY-TZIWHRDSSA-N	495.489	-2.137	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1838826873	DAEXBLWTJODCGC-MJGOQNOKSA-N	453.452	-1.357	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H](O)N1CCOCC1	1779419036	YEGXNJBIOMNRIJ-ZPMCFJSWSA-N	493.517	-1.079	5	20	JABD	
O=C(Cn1ccncc1=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1782665228	YYAMKDNRBMCRMO-HXUWFJFHSA-N	458.431	-1.157	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1797786859	LZCKQMJTAZAJSN-KPEUIFRASA-N	467.435	-1.124	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1836516469	AWIKRMDKIHOTEO-GOSISDBHSA-N	486.507	-1.187	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718100	ADAXLZTWJWCKKG-HRAATJIYSA-N	495.489	-1.636	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718272	LGWHMQWMDJJBMW-JLTOFOAXSA-N	480.478	-1.340	5	20	JABD	
O=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)=NN1	1839718473	XFEMVHWKHAABFA-LJQANCHMSA-N	462.419	-1.911	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CC1	1836764212	KOYNVTHESLDIRE-OAQYLSRUSA-N	493.521	-1.588	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837512431	KSDWWVPWVMLJSR-IEBWSBKVSA-N	454.436	-1.092	5	20	JABD	
COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)ccc1[N+](=O)[O-]	1839137463	VSZVAJXDWCDLLG-MGPUTAFESA-N	451.480	-1.112	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718265	LCLDZTVJWWYNJJ-QVKFZJNVSA-N	477.474	-1.096	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831316397	BOGXKIKCNCWSSZ-RDTXWAMCSA-N	488.523	-1.425	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21	1790652576	SBIMAJYQHLPXCK-YDHLFZDLSA-N	476.446	-1.712	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)c([N+](=O)[O-])cc1O	1838602180	RLFHYVCFGUULRC-SPLOXXLWSA-N	495.489	-1.028	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1778788563	IGMJDSZPDIZKRE-DNVCBOLYSA-N	467.435	-1.349	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCS(=O)(=O)CC2)C3)n1	1796718398	AUUVAJSWXOYJRL-ZSBFGKGUSA-N	497.530	-1.068	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-]	1796404308	LIJBMGQSRPHSAU-AYRXBEOTSA-N	460.451	-1.008	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1839669578	KKCOMEHLJHEQCO-SFHVURJKSA-N	463.407	-1.038	5	20	JABD	
O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835440955	KVUKXVKORAVRMC-FQEVSTJZSA-N	466.495	-1.030	5	20	JABD	
O=C(CN(CCO)CCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1790911512	BMSNQTOSGYVMGH-BQFCYCMXSA-N	481.506	-1.977	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1778788565	IGMJDSZPDIZKRE-KXBFYZLASA-N	467.435	-1.349	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1779317375	IBPYSWQQGDCAND-QRWLVFNGSA-N	465.463	-1.263	5	20	JABD	
C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1)n1cnnn1	1790654969	CEIQLLMNPLVPSZ-YXWQFLTLSA-N	460.451	-1.016	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1835540844	BCALPXIVZHXJNX-INIZCTEOSA-N	461.368	-1.282	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)n1	1796719256	ZSURTNAXMITYIV-BUWBCJGYSA-N	450.452	-1.206	5	20	JABD	
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2	1839916319	NDTSDJLITHDTMN-QFIPXVFZSA-N	480.518	-1.120	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CC1	1836674964	XQXLYLCVDDAWTQ-LJQANCHMSA-N	451.484	-1.365	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	502719255	WIIZVYDKIADDAH-DZGCQCFKSA-N	454.461	-1.066	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1	1832795631	BCRFHWUOFZVTEI-SFHVURJKSA-N	463.407	-1.237	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c([N+](=O)[O-])cc1O	1835560880	MXBPVJONHGCUQX-QKKBWIMNSA-N	495.489	-1.028	5	20	JABD	
C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831450656	AIEPWVIVBRVALT-KBXCAEBGSA-N	473.508	-1.072	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1837796990	MMQPJKMAKRFHFF-FUHWJXTLSA-N	454.440	-1.962	5	20	JABD	
CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	585704448	XEDCXAQOWNKNMW-HOCLYGCPSA-N	469.520	-1.049	5	20	JABD	
Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717731	LWXWYBADEBQUMN-LJQANCHMSA-N	461.435	-1.345	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798424	ODBBJFKIBHMTCN-QAPCUYQASA-N	470.439	-1.688	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837516567	FBJKSTBZYSUHNS-FUHWJXTLSA-N	454.440	-1.962	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797790638	SHTVISGKRTVWEL-LORHWOILSA-N	494.457	-1.159	5	20	JABD	
Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1	1839467038	IGECOVUORFZKHF-QFIPXVFZSA-N	496.517	-1.035	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CC1	1836667879	CHSXEWQXJBFMON-FQEVSTJZSA-N	465.511	-1.505	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790653970	LLMQVHJPOZIKCW-CUSZFKRNSA-N	479.490	-1.113	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837206643	NIYLEACKBLAOBA-GUYCJALGSA-N	456.412	-1.548	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793485	MEUOHNRDBLEJTO-QGZVFWFLSA-N	459.481	-1.318	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2	1793836974	DXPOQXFRVGKPMD-JJLQDPRZSA-N	456.481	-1.749	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840181876	NWYQSVNPLBKCPQ-SFTDATJTSA-N	496.473	-1.171	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839783043	QSUGMQMANGOUNH-DYVFJYSZSA-N	457.465	-1.035	5	20	JABD	
C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839166355	LGMQNKCRIUAKBE-KUHUBIRLSA-N	451.436	-1.653	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1	1839717580	PKFHWPZOBXBTBT-LJQANCHMSA-N	462.419	-1.045	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787878	RZFXIFBLAFUPDI-QRWLVFNGSA-N	465.463	-1.263	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1	1837794567	TXVRNQPPRPSWEV-GOSISDBHSA-N	495.474	-1.147	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839784536	PBHFJMFXIQYZAJ-OXQOHEQNSA-N	498.514	-1.210	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1835748776	USIUDEJCDCJFTC-VBKZILBWSA-N	465.463	-1.037	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837520581	CTXVQHSQIVGDMY-CTNGQTDRSA-N	495.489	-2.137	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798352	NUAMGATWWAQJCS-AUUYWEPGSA-N	467.483	-1.045	5	20	JABD	
O=C(NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1)c1n[nH]cc1[N+](=O)[O-]	1835869672	PNDCCZQSKMHIDC-UHFFFAOYSA-N	467.527	-1.210	5	20	JABD	
C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)N1CCN(C)CC1	1832800062	GTYDVHXJZCPKNF-LAUBAEHRSA-N	479.538	-1.116	5	20	JABD	
N=C1NCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717254	BZEMMRTZDKQHSA-FQEVSTJZSA-N	477.478	-1.947	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)C(=O)N1	1832480244	FFPZBUOOALFBEO-HXUWFJFHSA-N	477.430	-1.078	5	20	JABD	
O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1833760826	WBZMBZZCDLEYEN-MRXNPFEDSA-N	476.494	-1.039	5	20	JABD	
COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)c([N+](=O)[O-])c1	1799823036	FKXOMJTYHWACBU-CWPLJXCYSA-N	494.501	-1.129	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798428	ODBBJFKIBHMTCN-YJBOKZPZSA-N	470.439	-1.688	5	20	JABD	
Cn1c(=O)ccn(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O	915393466	AJKUBNPDAHRUTE-UHFFFAOYSA-N	495.470	-1.469	5	20	JABD	
NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1	1838627712	KBTMTUJNKOUYIM-DJJJIMSYSA-N	451.436	-1.321	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])n(C)c1=O	1848149882	IFOGAVSEHWKUOM-QWRGUYRKSA-N	471.434	-1.419	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718317	NRWJNNIMIBSHLY-QVKFZJNVSA-N	494.505	-1.080	5	20	JABD	
O=C(CN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796072	MSRFCJXKQZEJEX-LJQANCHMSA-N	452.468	-1.420	5	20	JABD	
O=C(Cn1ccncc1=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1782665225	YYAMKDNRBMCRMO-FQEVSTJZSA-N	458.431	-1.157	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800283883	IVQXEYJILZBWFW-JJLQDPRZSA-N	471.430	-1.451	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837208964	PGQXUVXESNTECQ-CXAGYDPISA-N	456.412	-1.548	5	20	JABD	
Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)n1	1839717455	BOSBJHARMMSBNB-LJQANCHMSA-N	461.435	-1.345	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)n(C)c1=O	1794249763	SDOFTFULIFYMBK-BTTYYORXSA-N	499.488	-1.123	5	20	JABD	
CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)O	1832796062	MAHUAJWQNKSQJT-RDTXWAMCSA-N	454.440	-1.690	5	20	JABD	
O=C(CN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835397233	ABKCWFUIVOMJAU-OAQYLSRUSA-N	479.490	-1.455	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)ncc1[N+](=O)[O-]	1835739572	MDHHULBJFHHBFW-JLTOFOAXSA-N	464.479	-1.039	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837203066	HQJMQMPNBQZGHW-CRAIPNDOSA-N	470.439	-1.688	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO3)N1	1839413381	VTZRYIDNQLKBOK-MGPUTAFESA-N	477.430	-1.032	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=N)N)C3)C2)c([N+](=O)[O-])c1	1839462028	HDXYTLAZVAQBSW-HXUWFJFHSA-N	478.462	-1.066	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2	1800282264	OKWLRHRQLAOPQX-CSHUHZATSA-N	465.463	-2.003	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782782953	PPKPZQXUXOGYIA-FQEVSTJZSA-N	497.530	-1.683	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cc(O)nc(O)n1	1796356069	ACWBUZUDQFJFGE-CULMDFNYSA-N	460.403	-1.139	5	20	JABD	
C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717821	RREJJTZUAOEZFB-VBKZILBWSA-N	465.463	-1.276	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	502719258	WIIZVYDKIADDAH-ZFWWWQNUSA-N	454.461	-1.066	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786108	XSMGAIKZSGUNCA-LIRRHRJNSA-N	485.519	-1.086	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793467	LSNSMZVYSVDVNS-SFHVURJKSA-N	453.456	-1.481	5	20	JABD	
COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718968	XFCXRJIQVYWQGL-IBGZPJMESA-N	467.435	-1.431	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782788973	MTVLWOLGJAWXJG-HXUWFJFHSA-N	467.479	-2.127	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782784703	XACKEFFOBDWFMM-QGZVFWFLSA-N	473.379	-1.689	5	20	JABD	
C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831450662	AIEPWVIVBRVALT-KSSFIOAISA-N	473.508	-1.072	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837203067	HQJMQMPNBQZGHW-MAUKXSAKSA-N	470.439	-1.688	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1	1839718476	XHFBNXYYZGYPRI-FQEVSTJZSA-N	490.429	-1.272	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839413625	LANIOJKNZKUWKW-OXJNMPFZSA-N	465.463	-1.037	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282068	FNORZCQBVSIJFR-VZAMPYOESA-N	467.435	-1.589	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837702866	NXLMRSPOGOUZHW-QVKFZJNVSA-N	477.474	-1.096	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1839653411	PKPRIDQHKVADNA-SFHVURJKSA-N	469.524	-1.268	5	20	JABD	
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	522893150	QQTHRKZGRWSSNR-UHFFFAOYSA-N	483.503	-1.207	5	20	JABD	
O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1781840542	BGLRXLFXRFPODP-XMSQKQJNSA-N	495.533	-1.443	5	20	JABD	
CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C(=O)O	1795647203	JUVKHWDLHAGOGM-IPJQOSJUSA-N	451.436	-1.591	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282067	FNORZCQBVSIJFR-NOXHYTERSA-N	467.435	-1.589	5	20	JABD	
COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717527	DUBKVZGUAOUFKL-LJQANCHMSA-N	454.436	-1.168	5	20	JABD	
C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)n1cnnn1	1839718621	FFZUUZZBQCCMFM-IFXJQAMLSA-N	476.450	-1.539	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1779096831	OSLIDMIIPIINPG-UYAOXDASSA-N	465.463	-1.763	5	20	JABD	
O=C(CCn1ccnn1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840449014	WNYFOMFSTBUNNG-HXUWFJFHSA-N	475.462	-1.105	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)C(=O)N1	1832483163	VLDOZXAZFMXZJD-FQEVSTJZSA-N	492.445	-2.235	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)ncc1[N+](=O)[O-]	1832691934	UUMLRDFMXZODFO-RBZFPXEDSA-N	476.446	-1.034	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1	1832691028	JBUHMHJLZXZDFN-BMLIUANNSA-N	451.396	-2.014	5	20	JABD	
C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)N1CCN(C)CC1	1839100422	RUDBJXPZMWSZTB-UWJYYQICSA-N	479.538	-1.116	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)n1	1790910078	ABNVRBRUCXULIL-ZOBUZTSGSA-N	481.506	-1.122	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1832800572	VHZPOPGQEBHYCT-MAUKXSAKSA-N	471.492	-1.175	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839919543	OOCSKCHFJHTLTC-NRFANRHFSA-N	497.505	-2.501	5	20	JABD	
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1	1829625769	NLOPLFDUDMVHHR-JOCHJYFZSA-N	480.518	-1.120	5	20	JABD	
CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)CC1	1839718246	JREMJWMIILLAEB-JOCHJYFZSA-N	492.533	-1.540	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21	1785217007	VWSOGQKTNCKUGQ-MBGYTDRXSA-N	452.468	-1.578	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1832022608	FBOIHQLQWSJAPN-IBGZPJMESA-N	462.419	-1.297	5	20	JABD	
O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832804073	PGECOYBRTNKYNT-INIZCTEOSA-N	478.384	-1.074	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1	1839718470	XDHAHOBNDANLSN-NRFANRHFSA-N	498.456	-1.036	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1	1832483119	GORBOOLDSSJURO-LJQANCHMSA-N	486.503	-1.012	5	20	JABD	
O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1833675721	HOXAPYKGOUWMJO-UHFFFAOYSA-N	476.494	-1.085	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837607846	HEGRHYMHXYFMFG-RBZFPXEDSA-N	488.461	-1.004	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)N1	1837792712	BKRAJSPYPBNFOO-BTDLBPIBSA-N	451.396	-2.014	5	20	JABD	
N=C(N)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717385	KOSRCZKMZJHVER-SFHVURJKSA-N	451.440	-2.304	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839784537	PBHFJMFXIQYZAJ-UZLBHIALSA-N	498.514	-1.210	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@H](O)N1CCOCC1	1779411274	JVZHHJZQCWSRTQ-LSTHTHJFSA-N	466.495	-1.044	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1)C(=O)C(=O)O	1839704051	WBVRXJDKVLDXJE-HXUWFJFHSA-N	480.430	-1.087	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-]	1787476526	QTCYQDBFTSJRKL-IHRRRGAJSA-N	470.508	-1.358	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H]1C[C@H](O)CN1	1780602847	XDHODXHIIAJUSZ-QSLMVLCRSA-N	463.491	-1.007	5	20	JABD	
CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)CC1	1788245223	CBMYECYTLUPOET-WDSOQIARSA-N	477.522	-1.065	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1795533145	RSCZPSOJGVJBLJ-LKQDWFRTSA-N	450.452	-2.061	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797588853	ZGGGBVVBGJKMJW-DJZPMSPPSA-N	467.435	-1.589	5	20	JABD	
O=C(CN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793527	OZFOJNOPUZBWHV-SFHVURJKSA-N	452.424	-1.300	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)n1	1837269187	PGDDZBAUXONOSW-SFHVURJKSA-N	463.455	-1.419	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840177761	KCBUEWNJRJWMCT-RBUKOAKNSA-N	469.451	-1.137	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)N1	1832697017	JMPCOJFWPFMCEL-QRWLVFNGSA-N	477.430	-1.032	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CC1	1836764206	KOYNVTHESLDIRE-NRFANRHFSA-N	493.521	-1.588	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839413124	FXJMERWPEJCMEU-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839166353	LGMQNKCRIUAKBE-AUUYWEPGSA-N	451.436	-1.653	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1	1832800084	HLGQEIXZEUOLNB-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	502724115	PUXDKFPHIDLKIY-CVEARBPZSA-N	476.533	-1.123	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)ncc1[N+](=O)[O-]	1832691943	UUMLRDFMXZODFO-RNODOKPDSA-N	476.446	-1.034	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1	1839718278	LHOQHWUCMLDFBH-MDOVXXIYSA-N	450.448	-1.016	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1	1834736367	ODICYMOEDSTSHP-KRWDZBQOSA-N	491.549	-1.079	5	20	JABD	
Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c(=O)nc1O	1782787515	YKBJUFCCFJLLGN-OAQYLSRUSA-N	488.457	-1.143	5	20	JABD	
CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1)C(=O)O	1790652276	ITFVIEPFMUQMDP-AYDFFVQHSA-N	465.463	-1.201	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cn5cc([N+](=O)[O-])cn5)C4)C3)cc21	1834560840	QMYRLTGLMAZQHY-HXUWFJFHSA-N	488.461	-1.499	5	20	JABD	
CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CC1	1835401053	XCKNVWHPERXKOA-NRFANRHFSA-N	479.538	-1.115	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)n1	1782788037	VMKPJQADEYEQFC-IBGZPJMESA-N	460.451	-1.081	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839415142	RWIZKVZSYBQBBV-OAQYLSRUSA-N	482.490	-1.343	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)C(=O)C(=O)O	1839702555	BZJFBZVLDDOOEL-KRWDZBQOSA-N	454.396	-2.069	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1839919268	YDFHXKPHRWXPMM-LJQANCHMSA-N	455.468	-1.721	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1784116877	WCVNHGVXAFUBDB-FQEVSTJZSA-N	459.415	-1.489	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H](O)N1CCOCC1	1797809134	XEXCKWNLLJMQTO-HXFPYSNGSA-N	465.463	-2.003	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)N1	1832684319	PXVMRJBSRPUHDU-ADLMAVQZSA-N	451.392	-1.144	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)n1	1837361632	YQLWXVCBBDQUQF-LJQANCHMSA-N	462.419	-1.056	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1838328588	SBSZOILDGBKAGK-GOSISDBHSA-N	460.407	-1.409	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839413125	FXJMERWPEJCMEU-HXUWFJFHSA-N	477.430	-1.078	5	20	JABD	
C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831607842	AHXPGVHTVSGJAI-XOBRGWDASA-N	465.463	-1.276	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1835748325	SMXUTPGAIAUSOG-OXQOHEQNSA-N	465.463	-1.037	5	20	JABD	
Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836304851	MDWHVSOEQNOFPW-LJQANCHMSA-N	461.435	-1.047	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786106	XSMGAIKZSGUNCA-KUHUBIRLSA-N	485.519	-1.086	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832799650	ALLOAJOTYVCBLN-KXBFYZLASA-N	450.452	-1.132	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2	1836507937	BMXVNRCORNQFQJ-GOSISDBHSA-N	456.456	-2.326	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837211140	IBHJKBIPAZAVMG-JXFKEZNVSA-N	497.461	-1.723	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2	1839780130	AEDFOLMUSMLTHS-CRAIPNDOSA-N	471.492	-1.175	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)C(=O)C(=O)O	1839702556	BZJFBZVLDDOOEL-QGZVFWFLSA-N	454.396	-2.069	5	20	JABD	
C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1)n1cnnn1	1790654961	CEIQLLMNPLVPSZ-HOSILWTGSA-N	460.451	-1.016	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1832697938	UXLKCFYGCIBCPA-RBZFPXEDSA-N	492.445	-2.189	5	20	JABD	
N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835516859	XPRMNAXRUSUWKJ-SFHVURJKSA-N	468.492	-1.160	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796944	JXGUHAQRNFYUHO-DNVCBOLYSA-N	483.434	-1.117	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21	1790652173	GPMVVNMKMSWXRP-YDHLFZDLSA-N	476.446	-1.712	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21	1790652226	CAYPRBJIYOOXMZ-XEZPLFJOSA-N	498.456	-1.219	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1835748780	USIUDEJCDCJFTC-XOBRGWDASA-N	465.463	-1.037	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1839653410	PKPRIDQHKVADNA-GOSISDBHSA-N	469.524	-1.268	5	20	JABD	
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O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2	1781560820	FUNRWIZOWJHZBV-QDUSTFBWSA-N	490.473	-1.132	5	20	JABD	
CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CCC1=O	1832371623	TWFVYWOVSPOBQF-LJQANCHMSA-N	463.451	-1.144	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)n1	1796718489	JYWSZTHIWKLKMZ-JNIYBQFBSA-N	462.419	-1.200	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839215943	UOJOHVNYCKORGP-YCRPNKLZSA-N	477.474	-1.166	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1	1839717668	LHOQHWUCMLDFBH-WSNMIEGMSA-N	450.448	-1.016	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783485	WNOLVEKZMDUHSO-IBGZPJMESA-N	462.419	-1.862	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1	1832691033	JBUHMHJLZXZDFN-DYZYQPBXSA-N	451.396	-2.014	5	20	JABD	
Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717381	KHRXARSGOHXZOE-LJQANCHMSA-N	461.435	-1.047	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1838328236	XVQPNCQDXMXBEY-GOSISDBHSA-N	460.407	-1.409	5	20	JABD	
CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C(=O)O	1795647204	JUVKHWDLHAGOGM-LKQDWFRTSA-N	451.436	-1.591	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1	1832691031	JBUHMHJLZXZDFN-BTDLBPIBSA-N	451.396	-2.014	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2	1839079573	DJKPXIAXVHXENE-AVYPCKFXSA-N	465.463	-2.064	5	20	JABD	
O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCN1	1840233310	JCQYCOYXDSCHCA-QVKFZJNVSA-N	477.474	-1.261	5	20	JABD	
CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)CC1	1788195646	VXHIXPLVKLMTTR-LNLFQRSKSA-N	476.534	-1.016	5	20	JABD	
CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)CC1	1778262977	BUNBGICIXCZMKM-NRFANRHFSA-N	462.507	-1.166	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	1794000557	CEMYFGUFGXVFIC-NFFDBFGFSA-N	458.497	-1.291	5	20	JABD	
CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839859964	RAHKXIZXCKRUKB-IBGZPJMESA-N	451.436	-1.651	5	20	JABD	
Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c(=O)nc1O	1794006444	RAXAZUCGXYMKMP-FVCICTRLSA-N	461.435	-1.348	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)n(C)c1=O	1794275572	IZTLLIVKUFHVET-BTTYYORXSA-N	499.488	-1.123	5	20	JABD	
N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1786844956	AKKRCBDZQWNRRO-DZKIICNBSA-N	461.479	-1.424	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1832335415	UGLSZVGHAUXRPX-HXUWFJFHSA-N	492.445	-2.235	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837208968	PGQXUVXESNTECQ-GUYCJALGSA-N	456.412	-1.548	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)n1	1832797417	GAACHNRAPWMMQX-GOSISDBHSA-N	463.455	-1.419	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837732341	UYLNBQFBGUNBGN-UGSOOPFHSA-N	454.440	-1.461	5	20	JABD	
O=C(COCCO)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839195565	YLFKUAGREIORJQ-IBGZPJMESA-N	454.436	-1.778	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718101	ADAXLZTWJWCKKG-IERDGZPVSA-N	495.489	-1.636	5	20	JABD	
O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)CC3)CC2)C(=O)N1	1833710424	GGYOFYKNNJKVEL-UHFFFAOYSA-N	476.494	-1.085	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840261711	UVBVEOWWEAODHW-LJQANCHMSA-N	462.419	-1.827	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839719016	YZFBZCMFSKSJEM-OAQYLSRUSA-N	497.505	-2.501	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2	1833478365	IZXSEPYZEOCVGT-OAQYLSRUSA-N	489.441	-1.074	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282369	WFNHQUSTUKCHAU-ZTENYAIWSA-N	499.484	-1.045	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1782782518	JGMJHQJRIIWINX-HXPMCKFVSA-N	462.419	-1.816	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CCN1	1832804116	PRWJSLIUGRTICX-IFXJQAMLSA-N	450.452	-1.226	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)n1	1837277560	MFTQONOUHYWCOV-FQEVSTJZSA-N	490.477	-1.454	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837792873	LKRPPAQGDUENBJ-IBGZPJMESA-N	462.419	-1.297	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783487	WNOLVEKZMDUHSO-LJQANCHMSA-N	462.419	-1.862	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1cc2n(n1)CCNC2=O	1786260557	WBIYDABDFSMZAH-DEYYWGMASA-N	499.484	-1.010	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1831325515	YMURCIQLRJLBIX-SJCJKPOMSA-N	474.496	-1.284	5	20	JABD	
O=C1NC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)O1	1831577083	RDHMFGRFPJFCNS-LIRRHRJNSA-N	465.419	-1.679	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1835128516	YTRVXVXXXYRXSU-VBKZILBWSA-N	463.447	-1.509	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1839918048	CGQIPDPGFIUROE-SFHVURJKSA-N	456.456	-2.326	5	20	JABD	
NC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1	1781562765	STQSTWKCKFSKAM-AUUYWEPGSA-N	450.452	-1.061	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1	1836508015	GYQNOZQYEZHDGX-QRWLVFNGSA-N	490.477	-1.142	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837513286	DUDFQCXECGUZRD-IEBWSBKVSA-N	468.467	-2.102	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)C(=O)O	1832800379	PDJMOPNVTDITCI-SFHVURJKSA-N	468.423	-2.209	5	20	JABD	
O=C(CN(CCO)CCO)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1783261329	FJMPDQGCFKNEKO-HXUWFJFHSA-N	467.479	-2.127	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cc(=O)n2[nH]cnc2n1	1786976545	QMXVFENSXCHHAV-NHCYSSNCSA-N	457.407	-1.044	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CN1	1829946346	MLNZQTREWVRYOU-AUUYWEPGSA-N	450.452	-1.226	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1839919393	DOITUTTXACZYLD-NRFANRHFSA-N	482.490	-1.343	5	20	JABD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1[N+](=O)[O-]	16177209	QWCBQJXTZPABFW-UHFFFAOYSA-N	453.433	-1.014	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1	1835746159	SDXZQDVCWZYZJP-LHSJRXKWSA-N	493.473	-1.014	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1829960297	MNSJEXAZDPIXNM-VFNWGFHPSA-N	477.474	-1.261	5	20	JABD	
C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793111	DGUGYARYMJSLQH-KSSFIOAISA-N	473.508	-1.072	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO3)N1	1839273911	UXHRCWSPAIUOHH-ZUOKHONESA-N	477.430	-1.032	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2	1800281326	HQFCEANUQKRDOL-VTEUUUEMSA-N	473.442	-1.339	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282099	IGKYFIYYECRYNF-HIRMHNASSA-N	494.457	-1.159	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1832332887	XWXWYWCFWJIHFS-GOSISDBHSA-N	450.408	-1.455	5	20	JABD	
CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832798933	YTXBCDUOECXSFJ-GOSISDBHSA-N	469.524	-1.268	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2	1839079572	DJKPXIAXVHXENE-AUSJPIAWSA-N	465.463	-2.064	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cn5cc([N+](=O)[O-])cn5)C4)C3)cc21	1834560839	QMYRLTGLMAZQHY-FQEVSTJZSA-N	488.461	-1.499	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1835565797	POOKLZINPKWARK-XOBRGWDASA-N	465.463	-1.037	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837521314	ZKPDHLDTCBWPBU-HKUYNNGSSA-N	453.452	-1.357	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1788470247	WMHYFFPHVIWGAP-PLNCSYRRSA-N	454.440	-1.165	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCN1	1840233309	JCQYCOYXDSCHCA-BTYIYWSLSA-N	477.474	-1.261	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1	1839916912	YVWWXXIWIXPQSP-IBGZPJMESA-N	456.452	-1.456	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)ccc1[N+](=O)[O-]	1839920169	PDMGUYVOPXKKFF-QFIPXVFZSA-N	496.517	-1.040	5	20	JABD	
Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c(=O)nc1O	1785350725	NMZQTHZHMVQCAV-IBGZPJMESA-N	461.435	-1.108	5	20	JABD	
O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835408321	FLTXHCADCMDIKH-LJQANCHMSA-N	450.452	-1.130	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787209	NRKZEOUGGUTMTF-FQEVSTJZSA-N	471.430	-1.211	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	1785216636	FZAGDNBSSDSWAY-PCBIJLKTSA-N	454.440	-1.165	5	20	JABD	
O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840201902	PDAPAJGJWRQBOW-INIZCTEOSA-N	478.384	-1.074	5	20	JABD	
C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831450665	AIEPWVIVBRVALT-RDTXWAMCSA-N	473.508	-1.072	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21	1785219119	ZUQKNBHMSOKBGK-XIRDDKMYSA-N	454.484	-1.942	5	20	JABD	
O=C(CN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796071	MSRFCJXKQZEJEX-IBGZPJMESA-N	452.468	-1.420	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1833785083	GNSCZLHJIWYQEF-KRWDZBQOSA-N	464.527	-1.044	5	20	JABD	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	507910561	JNELYUIAOGFVAC-OCCSQVGLSA-N	452.445	-1.195	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718864	RRXVQCOMXHMVSD-RTWAWAEBSA-N	496.473	-1.171	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)N1	1832691001	MONMEWNOQFAEKS-BTDLBPIBSA-N	451.396	-2.014	5	20	JABD	
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	502721681	JFHOGSIHGZBXQO-CVEARBPZSA-N	476.533	-1.123	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cc2n(n1)CCNC2=O	1794974637	BZCDARRXYGWMAL-IVWMJMPLSA-N	485.457	-1.400	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837496834	QAAPKAMLBITAKC-FXAWDEMLSA-N	497.461	-1.258	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786102	XSMGAIKZSGUNCA-AUUYWEPGSA-N	485.519	-1.086	5	20	JABD	
CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1	1800282260	OIEAVYXLMRRHGU-CWPLJXCYSA-N	462.507	-1.407	5	20	JABD	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1	1830911890	LUOQHKXNWKFLBV-SGRIQBTBSA-N	482.490	-1.056	5	20	JABD	
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C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)n1cnnn1	1791690766	LRLWUCSQRUJYHA-HOSILWTGSA-N	460.451	-1.016	5	20	JABD	
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CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1832797238	BCVFIPMZUQUCFQ-HXUWFJFHSA-N	465.511	-1.505	5	20	JABD	
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O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1	1832691036	JBUHMHJLZXZDFN-QGHHPUGFSA-N	451.396	-2.014	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1793835873	LSPYYIOXSOBHFZ-ZSBFGKGUSA-N	470.508	-1.889	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1n[nH]c2c1CS(=O)(=O)C2	1795930272	WZWIATHPJNARQP-YFKFIEJBSA-N	465.448	-1.014	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)n1	1800582477	RWAAKKURRCDNSR-ZSBFGKGUSA-N	467.479	-1.512	5	20	JABD	
CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2)C(=O)O	1839717723	UZCYBFSOWLLZQE-VBKZILBWSA-N	481.462	-1.724	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1832322398	RLSYHCIZTBBFGZ-SFHVURJKSA-N	465.423	-2.201	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796467	WPNAEFTXSIVEQD-KSSFIOAISA-N	453.456	-2.160	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CN1	1832793169	FWYKPNFWHWAKRE-IFXJQAMLSA-N	450.452	-1.226	5	20	JABD	
N=C1NCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832795994	JGDITLSDCYZCNF-GOSISDBHSA-N	450.456	-1.912	5	20	JABD	
N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835640010	FSTDMCGOHLVYOE-HXUWFJFHSA-N	477.478	-1.947	5	20	JABD	
O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CCN1	1840228989	QNCAXPYNZHEGGI-AUUYWEPGSA-N	450.452	-1.226	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837376088	RLVJRIBVLVAHOM-IFXJQAMLSA-N	467.483	-1.045	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787212	NRKZEOUGGUTMTF-HXUWFJFHSA-N	471.430	-1.211	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837796151	OXCKQZANRXSAQA-SFHVURJKSA-N	486.507	-1.187	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796946	JXGUHAQRNFYUHO-KXBFYZLASA-N	483.434	-1.117	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840181874	NWYQSVNPLBKCPQ-NHCUHLMSSA-N	496.473	-1.171	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1	1832795624	BCRFHWUOFZVTEI-GOSISDBHSA-N	463.407	-1.237	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1	1839718832	PXGVNIHTCCICQZ-AUSJPIAWSA-N	465.463	-2.064	5	20	JABD	
CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718921	VFQIUAOROLJHLQ-XOBRGWDASA-N	465.463	-1.263	5	20	JABD	
Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(=O)nc1O	1840807205	CQJDLRGHEPVBMT-IBGZPJMESA-N	477.434	-1.341	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782782955	PPKPZQXUXOGYIA-HXUWFJFHSA-N	497.530	-1.683	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1	1799878336	UHHPLKKIDWBOMA-HBCWATKFSA-N	476.490	-1.039	5	20	JABD	
CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718541	AGLLKYTWBOIXAD-LJQANCHMSA-N	451.436	-1.651	5	20	JABD	
O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCN1	1839718944	VWOLCXDVIKWTBI-VFNWGFHPSA-N	477.474	-1.261	5	20	JABD	
CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839886002	DJMSDDVNRSCZCE-FQEVSTJZSA-N	465.463	-1.261	5	20	JABD	
O=C(Cn1nccn1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839237925	KMBHHCUKFQRIRL-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1779879740	RGGNAHJSHABUBU-FQEVSTJZSA-N	471.430	-1.211	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)c([N+](=O)[O-])cc1O	1838602178	RLFHYVCFGUULRC-LHSJRXKWSA-N	495.489	-1.028	5	20	JABD	
C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)N1CCN(C)CC1	1839100419	RUDBJXPZMWSZTB-DYESRHJHSA-N	479.538	-1.116	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717261	CGHLEKABKRAMAW-XOBRGWDASA-N	480.478	-2.194	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	1785216624	DYKPIVKCNCIMTQ-HJWJTTGWSA-N	452.468	-1.078	5	20	JABD	
C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831607837	AHXPGVHTVSGJAI-VBKZILBWSA-N	465.463	-1.276	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718744	LNEHNJQPWSQRNO-BTYIYWSLSA-N	477.474	-1.166	5	20	JABD	
CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2)C(=O)C(=O)O	1829490113	QHXJTLNOCMUTLQ-GOSISDBHSA-N	454.392	-1.199	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)n1	1837269185	PGDDZBAUXONOSW-GOSISDBHSA-N	463.455	-1.419	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832796444	UYHGPWMTBAUOKP-RDTXWAMCSA-N	453.456	-1.305	5	20	JABD	
O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1785154194	CJWBSBIRDSMAIG-ABHRYQDASA-N	476.446	-1.666	5	20	JABD	
NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1789090640	BOQIGWXWIZDPAB-UBHSHLNASA-N	458.435	-1.026	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)n1	1832691043	MXTJAHPXLITAGJ-ODXCJYRJSA-N	492.445	-1.334	5	20	JABD	
CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)C(=O)O	1781540265	BBICPOOBUDZRCM-KZULUSFZSA-N	452.424	-1.012	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831333503	PLYNPQBPYYBGRR-KRWDZBQOSA-N	459.481	-1.318	5	20	JABD	
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NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835557706	BXABWNZAWXLQEC-KBXCAEBGSA-N	453.456	-2.160	5	20	JABD	
CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1)C(=O)C(=O)O	1778063730	ODBXGGHNKQXZSH-ADLMAVQZSA-N	452.424	-1.012	5	20	JABD	
CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)C(=O)O	1786898374	IMKNECQZWCDOTR-YXWQFLTLSA-N	465.463	-1.201	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2	1836507930	BHHIIFXWFOSDHT-SFHVURJKSA-N	463.407	-1.038	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1839669577	KKCOMEHLJHEQCO-GOSISDBHSA-N	463.407	-1.038	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2	1836507929	BHHIIFXWFOSDHT-GOSISDBHSA-N	463.407	-1.038	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839655217	MDLLTUBPEGPVJF-HXUWFJFHSA-N	496.546	-1.303	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1839918522	GIAMFVCALOMBTC-SFHVURJKSA-N	456.456	-2.326	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1788774090	ZRFAPBLRALNGFP-LLLHUVSDSA-N	452.468	-1.078	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839273197	AHNRYKUDUOZZLM-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)C(=O)N1	1839717959	UBOYJGIGTPEBBG-HXUWFJFHSA-N	492.445	-2.235	5	20	JABD	
CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)C(=O)O	1781541504	MDAQYKQMVJOSLS-ADLMAVQZSA-N	452.424	-1.012	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838828148	KFGZXUMMPLHXOI-LJQANCHMSA-N	455.468	-1.721	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836484402	VLSKKHYHNLWYKM-XOBRGWDASA-N	480.478	-1.340	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1	508387309	IDQJFRAQBGHWBL-HUUCEWRRSA-N	454.461	-1.378	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1836508278	STFYDWDPBNVRJA-SJKOYZFVSA-N	457.465	-1.035	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1796321431	DTXCOQAOFZZUFV-ZWUHOBOKSA-N	450.452	-1.207	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2)c1nc[nH]c1[N+](=O)[O-]	1796401124	ABKMDRIGZICECD-DABQJJPHSA-N	456.481	-1.053	5	20	JABD	
COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835248388	LGGFMJOHEQLSNR-HXUWFJFHSA-N	468.463	-1.124	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837500642	ZQXXIZZZVSGYKJ-DNVCBOLYSA-N	483.434	-1.117	5	20	JABD	
O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)O1	1831577074	RDHMFGRFPJFCNS-IFXJQAMLSA-N	465.419	-1.679	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796468	WPNAEFTXSIVEQD-RDTXWAMCSA-N	453.456	-2.160	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838824994	CVTARWWENGZABJ-SFHVURJKSA-N	450.408	-1.455	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798416	ODBBJFKIBHMTCN-CRAIPNDOSA-N	470.439	-1.688	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837384765	HYNAOOKBHZMKCW-QVKFZJNVSA-N	494.505	-1.080	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786038	WWCCDXMPRXKJMS-LJQANCHMSA-N	450.452	-1.142	5	20	JABD	
COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840322154	ZLKVQCMEBDKLCU-IBGZPJMESA-N	467.435	-1.431	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2	1781562296	FQMGVQXSOOIPGW-XMSQKQJNSA-N	495.533	-1.443	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1839718162	DVENSPJVEUDFPB-CTNGQTDRSA-N	495.489	-2.137	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)n1	1839718465	WVGYBANELYVDLV-HXUWFJFHSA-N	490.477	-1.454	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1	1832320059	CTQWGUCALJQZMJ-SFHVURJKSA-N	451.392	-1.190	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839719029	ZZODSTKSBGQFLG-VLIAUNLRSA-N	463.447	-1.651	5	20	JABD	
Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c(=O)nc1O	1785350726	NMZQTHZHMVQCAV-LJQANCHMSA-N	461.435	-1.108	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO	1801735461	MVQXWUUKRDJFLE-MUJYYYPQSA-N	451.480	-1.319	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837513287	DUDFQCXECGUZRD-MJGOQNOKSA-N	468.467	-2.102	5	20	JABD	
O=C(Cn1ccncc1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718810	OIWZZGZDRFULHJ-NRFANRHFSA-N	488.457	-1.530	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717259	CGHLEKABKRAMAW-VBKZILBWSA-N	480.478	-2.194	5	20	JABD	
CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839859965	RAHKXIZXCKRUKB-LJQANCHMSA-N	451.436	-1.651	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)C(=O)N1	1832475981	JMGZZQGBGFVHJC-KRWDZBQOSA-N	451.396	-2.060	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837731146	OGSRETXDPSGPQA-UGSOOPFHSA-N	454.440	-1.461	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1	1839718368	QHEJONBDIWGSDZ-FQEVSTJZSA-N	474.430	-1.390	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796465	WPNAEFTXSIVEQD-KBXCAEBGSA-N	453.456	-2.160	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1ccc(O)c([N+](=O)[O-])c1	1799487039	XPKLSAVMAVPYRL-CCWDJLKJSA-N	452.464	-1.210	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1833785084	GNSCZLHJIWYQEF-QGZVFWFLSA-N	464.527	-1.044	5	20	JABD	
CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1)C(=O)O	1790652277	ITFVIEPFMUQMDP-YXWQFLTLSA-N	465.463	-1.201	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21	1790654824	DPGJMCDCLNHUQA-ZOBUZTSGSA-N	472.458	-1.007	5	20	JABD	
CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800281476	NFDVFKWMWCJHOI-FVCICTRLSA-N	456.477	-1.219	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798362	NUAMGATWWAQJCS-IFXJQAMLSA-N	467.483	-1.045	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832801244	WTOAUILYJDCGTJ-APWZRJJASA-N	468.467	-1.601	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c([N+](=O)[O-])c1	1835575398	NIPYTLNNYWIEJT-HXUWFJFHSA-N	478.462	-1.066	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837702867	NXLMRSPOGOUZHW-VFNWGFHPSA-N	477.474	-1.096	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2	1838627682	ITGJDRWKUVRELI-SPLOXXLWSA-N	493.473	-1.014	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832800870	KUWIULPTRZSBIJ-PXNSSMCTSA-N	497.461	-1.258	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cc2n(n1)CCNC2=O	1794972843	UJAPCPJRUXXLDH-DPIQGUFMSA-N	458.435	-1.365	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832796489	YNJFXAPEDPFXKG-KBXCAEBGSA-N	453.456	-2.160	5	20	JABD	
N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835631616	DMZBGVPAFXYPTO-GOSISDBHSA-N	450.456	-1.912	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835557711	BXABWNZAWXLQEC-KSSFIOAISA-N	453.456	-2.160	5	20	JABD	
COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717525	DUBKVZGUAOUFKL-IBGZPJMESA-N	454.436	-1.168	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1	1839718339	OJYITTFNGSEPMY-HXUWFJFHSA-N	490.429	-1.272	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2	1800282693	MHOFWRMCBRVJFS-CULMDFNYSA-N	460.403	-1.139	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832799648	ALLOAJOTYVCBLN-HNAYVOBHSA-N	450.452	-1.132	5	20	JABD	
CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1782784519	UUTZYMUJMMPYID-ORAYPTAESA-N	451.436	-1.351	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1782788481	ZGIWLXZMNBEKQM-UYAOXDASSA-N	465.463	-1.763	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H](O)N1CCOCC1	1779419033	YEGXNJBIOMNRIJ-VOQZNFBZSA-N	493.517	-1.079	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1839871362	GWCMRJXXDPTDGE-VLIAUNLRSA-N	463.447	-1.651	5	20	JABD	
CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718540	AGLLKYTWBOIXAD-IBGZPJMESA-N	451.436	-1.651	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)n1	1832478063	ITKYDWWAGDDSKS-HXUWFJFHSA-N	492.445	-1.380	5	20	JABD	
CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1835763740	MOFZSZKATDWDGX-XOBRGWDASA-N	481.462	-1.724	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1838328237	XVQPNCQDXMXBEY-SFHVURJKSA-N	460.407	-1.409	5	20	JABD	
O=C(Cn1cnnn1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836150236	HROMZCVYTSGOCH-SFHVURJKSA-N	462.423	-2.100	5	20	JABD	
C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837702865	NXLMRSPOGOUZHW-BTYIYWSLSA-N	477.474	-1.096	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1)C(=O)C(=O)O	1839703956	PEZCSBPMSSVYDD-FQEVSTJZSA-N	480.430	-1.087	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1	1839273634	WAHWIACTUXGZEG-VBKZILBWSA-N	465.463	-1.037	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1	1839717577	PKFHWPZOBXBTBT-IBGZPJMESA-N	462.419	-1.045	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)C(=O)N1	1832483166	VLDOZXAZFMXZJD-HXUWFJFHSA-N	492.445	-2.235	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1782788477	ZGIWLXZMNBEKQM-ICSRJNTNSA-N	465.463	-1.763	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1832800576	VHZPOPGQEBHYCT-YJBOKZPZSA-N	471.492	-1.175	5	20	JABD	
CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839881117	MEVSLQOKYIESQI-VLIAUNLRSA-N	465.463	-1.263	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)n1	1839077586	LIUWRMAMUXQZOF-YRVVQQKDSA-N	465.463	-1.209	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO3)C(=O)N1	1839413205	KGTYLYAWZDQHOZ-HXUWFJFHSA-N	477.430	-1.078	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c([N+](=O)[O-])cc1O	1835745553	LTQZLALXGLOPRR-SPLOXXLWSA-N	495.489	-1.028	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)n1	1837361630	YQLWXVCBBDQUQF-IBGZPJMESA-N	462.419	-1.056	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)cc21	1834564062	VOESBWWCZPWYCS-LJQANCHMSA-N	474.434	-1.358	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2	1839780131	AEDFOLMUSMLTHS-MAUKXSAKSA-N	471.492	-1.175	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840548681	UFDDIHZHDQATMP-QGZVFWFLSA-N	459.481	-1.318	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(CCO)CCO)C3)C2)ccc1[N+](=O)[O-]	1840759250	YAYJTMJDRIZVQL-QFIPXVFZSA-N	496.517	-1.040	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n(C)c1=O	15928339	SDIQCBBSWMYQRK-UHFFFAOYSA-N	491.486	-1.125	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1837798754	BWRIECBTGMFULU-DYVFJYSZSA-N	457.465	-1.035	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)n1	1840262924	PRWSVHHVZPSGDW-NRFANRHFSA-N	489.441	-1.007	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1ccc([N+](=O)[O-])c2c1OCO2	1798628072	PDMYTNDTEYJUOX-ZSBFGKGUSA-N	480.474	-1.187	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1835312442	YTRVXVXXXYRXSU-JLTOFOAXSA-N	463.447	-1.509	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837206644	NIYLEACKBLAOBA-SUMWQHHRSA-N	456.412	-1.548	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)N1	1839717815	RIOXPZXFXRUQSU-RNODOKPDSA-N	492.445	-2.189	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282738	QBEPLBHJVZWRGC-LKQDWFRTSA-N	450.452	-2.061	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)ncc1[N+](=O)[O-]	1835739574	MDHHULBJFHHBFW-VLIAUNLRSA-N	464.479	-1.039	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1788778699	UEPCTYCKSNWJOV-OVWQWFNUSA-N	479.490	-1.113	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1832332758	VJZACZOKZHQFFL-HXUWFJFHSA-N	477.430	-1.078	5	20	JABD	
CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1)C(=O)C(=O)O	1839701593	NOJUTDCLQFUVIU-SFHVURJKSA-N	454.392	-1.199	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790652265	HJQHBNLUWQCPOF-YXWQFLTLSA-N	464.479	-1.671	5	20	JABD	
Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c(=O)nc1O	1800283264	DTDXGHIFTOEPGK-ZSBFGKGUSA-N	488.457	-1.383	5	20	JABD	
Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1O	1833409441	AZMNOFFOYZMFCT-HXUWFJFHSA-N	476.446	-1.034	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)ncc1[N+](=O)[O-]	1835563087	WPPYYWBJRNTCEJ-XOBRGWDASA-N	464.479	-1.039	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837467406	KCTBDEFLGTVJJU-FQEVSTJZSA-N	496.546	-1.303	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717258	CGHLEKABKRAMAW-JLTOFOAXSA-N	480.478	-2.194	5	20	JABD	
O=C(CCn1cncn1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840359688	NDJMGUJDAHRAKL-FQEVSTJZSA-N	475.462	-1.105	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1784116880	WCVNHGVXAFUBDB-HXUWFJFHSA-N	459.415	-1.489	5	20	JABD	
COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)c([N+](=O)[O-])cc1O	1800579985	WSPQJANNHOOUHE-VTEUUUEMSA-N	482.490	-1.201	5	20	JABD	
CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C(=O)C(=O)O	1781543475	PEJBGHPSCBUXIE-QVKFZJNVSA-N	493.473	-1.187	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1	1835536292	NLYFWRHGSVVYGF-MRXNPFEDSA-N	462.352	-1.017	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783697	IOZQRRJOWHJDLM-YJYMSZOUSA-N	450.452	-1.821	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1832697957	UXLKCFYGCIBCPA-ZUOKHONESA-N	492.445	-2.189	5	20	JABD	
CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(=O)O	1835751665	FWYWEQNOPBEQDA-KDOFPFPSSA-N	454.440	-1.690	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1829485425	GSGOLUBTOVGLKK-IEBWSBKVSA-N	454.436	-1.092	5	20	JABD	
CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CC1	1797308135	QXZNASIQRFHIBG-UPHUGPLXSA-N	490.517	-1.490	5	20	JABD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1cc(=O)n2[nH]nnc2n1	1801356030	CZFZMEAFEZJZFK-ZSBIGDGJSA-N	469.418	-1.166	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1	508387294	IDQJFRAQBGHWBL-CABCVRRESA-N	454.461	-1.378	5	20	JABD	
CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835435716	JMMKFFXCQIILIZ-LJQANCHMSA-N	451.436	-1.699	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)N1	1839717816	RIOXPZXFXRUQSU-XCLFUZPHSA-N	492.445	-2.189	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787879	RZFXIFBLAFUPDI-YWZLYKJASA-N	465.463	-1.263	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)[C@H](O)N1CCOCC1	1788654486	GSHWKIKCORLFMH-WLNNIECUSA-N	479.490	-1.613	5	20	JABD	
CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(=O)O	1835751666	FWYWEQNOPBEQDA-KSSFIOAISA-N	454.440	-1.690	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837496837	QAAPKAMLBITAKC-XLIONFOSSA-N	497.461	-1.258	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837512432	KSDWWVPWVMLJSR-MJGOQNOKSA-N	454.436	-1.092	5	20	JABD	
CN1CCN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)CC1	24698070	JEMGCZGJPSRTCH-UHFFFAOYSA-N	482.519	-1.043	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718383	RHIJXGAKVMYARW-OXJNMPFZSA-N	497.461	-1.723	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)n1	1840920078	VIOOSEUMKXOVSL-SFHVURJKSA-N	452.424	-1.263	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)n1	1793941014	CCYMGYHTYWXYBB-DDIVZENXSA-N	462.419	-1.200	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1	1832795693	CSGWQWHMYLZICX-GOSISDBHSA-N	463.407	-1.237	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832798366	NUAMGATWWAQJCS-KUHUBIRLSA-N	467.483	-1.045	5	20	JABD	
C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839166354	LGMQNKCRIUAKBE-IFXJQAMLSA-N	451.436	-1.653	5	20	JABD	
O=C(CN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717516	DPHFYXUYHQLUNL-FQEVSTJZSA-N	479.446	-1.335	5	20	JABD	
O=C(CCn1cncn1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840359689	NDJMGUJDAHRAKL-HXUWFJFHSA-N	475.462	-1.105	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)N1	1832795678	BWAFYPRVFZZTGP-FZKQIMNGSA-N	465.423	-2.154	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2	1839784534	PBHFJMFXIQYZAJ-JXFKEZNVSA-N	498.514	-1.210	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2	1781560628	WSTQQUOYCKYYFB-DNVCBOLYSA-N	460.451	-1.043	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783695	IOZQRRJOWHJDLM-DJJJIMSYSA-N	450.452	-1.821	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)n1	1796719362	OEINYSARVRHDFT-ZSBFGKGUSA-N	467.479	-1.512	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)n1	1832691040	MXTJAHPXLITAGJ-MPBGBICISA-N	492.445	-1.334	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839274706	PBCHCRXATWSIJQ-NRFANRHFSA-N	482.490	-1.343	5	20	JABD	
N=C1NCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717255	BZEMMRTZDKQHSA-HXUWFJFHSA-N	477.478	-1.947	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)[C@@H](O)N1CCOCC1	1788648396	MKAFGAUPQXRJBH-QBWPOKONSA-N	452.468	-1.578	5	20	JABD	
CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1800189120	YIINHAAVOLZSCZ-FVCICTRLSA-N	466.520	-1.170	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)n1	1839077585	LIUWRMAMUXQZOF-PJSUUKDQSA-N	465.463	-1.209	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839273438	OPJYLFFLEUMARR-JLTOFOAXSA-N	465.463	-1.037	5	20	JABD	
C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831450659	AIEPWVIVBRVALT-KDOFPFPSSA-N	473.508	-1.072	5	20	JABD	
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CN(C)CCNS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1	105237161	DTKBNPJOGOBVIZ-UHFFFAOYSA-N	498.562	-1.058	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1786892767	LJXZYPMIAKSUNZ-AYDFFVQHSA-N	464.479	-1.671	5	20	JABD	
CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718918	VFQIUAOROLJHLQ-JLTOFOAXSA-N	465.463	-1.263	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)n(C)c1=O	1848151264	MLOCYTCFXDPQSM-KBPBESRZSA-N	485.461	-1.560	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)C(=O)N1	1832796313	WUSDYPXURDHGHK-GOSISDBHSA-N	465.423	-2.201	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2	1833478363	IZXSEPYZEOCVGT-NRFANRHFSA-N	489.441	-1.074	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCN1	1839718942	VWOLCXDVIKWTBI-BTYIYWSLSA-N	477.474	-1.261	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)c([N+](=O)[O-])cc1O	1838602219	UNIFWQGXJDMQGD-QKKBWIMNSA-N	495.489	-1.028	5	20	JABD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)cc1[N+](=O)[O-]	604465508	IELBPRLMTKCHOC-UHFFFAOYSA-N	457.465	-1.311	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1840371117	PUFINYYSLXMNAK-QRWLVFNGSA-N	490.477	-1.142	5	20	JABD	
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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cc(=O)n2[nH]cnc2n1	1795728521	HZVOAZRHBNLFKX-CULMDFNYSA-N	457.407	-1.574	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-]	1787477284	LQGRDFWGYUWNFU-NHCYSSNCSA-N	457.407	-1.044	5	20	JABD	
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O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1	1839718338	OJYITTFNGSEPMY-FQEVSTJZSA-N	490.429	-1.272	5	20	JABD	
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O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21	1790652254	GGAJXRNLQKCBRQ-YDHLFZDLSA-N	487.406	-1.539	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837497016	CDETYCUUDLLRCK-AUUYWEPGSA-N	483.434	-1.117	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782785844	VZMPQOKEPHYTST-OAQYLSRUSA-N	473.442	-1.099	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1830041423	NEBLLNGJGOZMPM-GOSISDBHSA-N	453.456	-1.481	5	20	JABD	
CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1832797232	BCVFIPMZUQUCFQ-FQEVSTJZSA-N	465.511	-1.505	5	20	JABD	
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CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CC1	1836767946	TXRRFUHLMSHFQW-FQEVSTJZSA-N	479.494	-1.448	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CC1	1836676086	WNVOJXKRYPHMML-JOCHJYFZSA-N	492.533	-1.540	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1779382687	ISBYGZGJTMMURY-QGZVFWFLSA-N	456.481	-1.508	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837799090	QXJJDXHEXPNDGU-GOSISDBHSA-N	463.407	-1.038	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832800186	AHOJMXWMVDPQBX-KUHUBIRLSA-N	450.452	-1.062	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1839918047	CGQIPDPGFIUROE-GOSISDBHSA-N	456.456	-2.326	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CC1	1782782122	LGLZPXOYELVFMY-NRFANRHFSA-N	462.507	-1.166	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1830048793	IQDIPRBWXAIMFQ-HXUWFJFHSA-N	480.478	-1.516	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c([N+](=O)[O-])cc1O	1838601844	WQFKARNJXNROMU-DJJJIMSYSA-N	453.452	-1.335	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1797863672	NIYWPIRMZZLZQG-FLTUCWPJSA-N	472.462	-1.011	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835749016	YNQPQLKIRJGJAU-XOBRGWDASA-N	480.478	-2.194	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837799970	MKFOZFAAZXKJDI-FOIQADDNSA-N	490.477	-1.142	5	20	JABD	
O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CCN1	1840228993	QNCAXPYNZHEGGI-KUHUBIRLSA-N	450.452	-1.226	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282083	GZZLOZITRYJQHV-KRXQYRFLSA-N	465.463	-1.503	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838826478	HVMALIYGQPVFMD-MRXNPFEDSA-N	461.368	-1.282	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO3)N1	1839273908	UXHRCWSPAIUOHH-RBZFPXEDSA-N	477.430	-1.032	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837516565	FBJKSTBZYSUHNS-AEFFLSMTSA-N	454.440	-1.962	5	20	JABD	
Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)c(=O)nc1O	1785353692	KVFPVUCFRJVYIZ-OAQYLSRUSA-N	488.457	-1.143	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)ncc1[N+](=O)[O-]	1839918255	PXLVBEBMMNGPSW-NRFANRHFSA-N	481.506	-1.345	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837516570	FBJKSTBZYSUHNS-WMZOPIPTSA-N	454.440	-1.962	5	20	JABD	
O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1833760824	WBZMBZZCDLEYEN-INIZCTEOSA-N	476.494	-1.039	5	20	JABD	
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	517950494	ICJFSBJZTKDZOR-UHFFFAOYSA-N	483.503	-1.207	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1779317373	IBPYSWQQGDCAND-FOIQADDNSA-N	465.463	-1.263	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)CC1	1837796160	POHAMNHJGWZTEK-FQEVSTJZSA-N	479.494	-1.448	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786369	CLXZOSZIIDZWAS-HXUWFJFHSA-N	459.415	-1.489	5	20	JABD	
N=C(N)SCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717539	NGZPNICDHRECRB-GOSISDBHSA-N	468.492	-1.160	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793838565	DQPKYNUVGXTDKO-CCWDJLKJSA-N	497.530	-1.924	5	20	JABD	
CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282426	XTRWTBWCPURMNB-FVCICTRLSA-N	466.520	-1.170	5	20	JABD	
CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(=O)C(=O)O	1800285034	RVEKDZMRMZWMRR-DRXBFXEBSA-N	465.419	-2.111	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)cc([N+](=O)[O-])c1OC	1839471661	JFFBRNAUWSVZRM-XOBRGWDASA-N	467.479	-1.032	5	20	JABD	
O=C1CN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)C(=O)N1	1793834074	AONJVGZMHUVQNK-DPIQGUFMSA-N	462.419	-2.102	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1	1833784605	SJTFGQWFGKOKNF-INIZCTEOSA-N	476.494	-1.039	5	20	JABD	
O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839665164	OCWPRLNHGDNIOD-OAQYLSRUSA-N	488.457	-1.530	5	20	JABD	
O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CCN1	1832804113	PRWJSLIUGRTICX-AUUYWEPGSA-N	450.452	-1.226	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837497019	CDETYCUUDLLRCK-LIRRHRJNSA-N	483.434	-1.117	5	20	JABD	
O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835414053	RXBKDPGYLCRGPM-OAQYLSRUSA-N	477.474	-1.165	5	20	JABD	
COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840322155	ZLKVQCMEBDKLCU-LJQANCHMSA-N	467.435	-1.431	5	20	JABD	
CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2	1836507966	FGBPKVLVDPFGJF-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837520583	CTXVQHSQIVGDMY-PZJWPPBQSA-N	495.489	-2.137	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)c1n[nH]cc1[N+](=O)[O-]	1779606323	OACIJTRVIJVUBS-DNVCBOLYSA-N	454.484	-1.268	5	20	JABD	
C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)n1cnnn1	1791690771	LRLWUCSQRUJYHA-YXWQFLTLSA-N	460.451	-1.016	5	20	JABD	
CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C(=O)C(=O)O	1800262919	IKYITUXEUMVZGC-DRXBFXEBSA-N	465.419	-2.111	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)n1	1782746559	DRBJKGZCKKTAEQ-IBGZPJMESA-N	465.419	-1.015	5	20	JABD	
CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CCC1=O	1832371622	TWFVYWOVSPOBQF-IBGZPJMESA-N	463.451	-1.144	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835564867	YGTGGHWFDJFEJD-XOBRGWDASA-N	480.478	-2.194	5	20	JABD	
CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)C(=O)C(=O)O	1790633536	ZXSHWPDQOYJXOZ-UBHSHLNASA-N	452.424	-1.686	5	20	JABD	
CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835258498	QAFWPYMEYJXRND-GOSISDBHSA-N	472.476	-1.743	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1832335414	UGLSZVGHAUXRPX-FQEVSTJZSA-N	492.445	-2.235	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)N1	1832795681	BWAFYPRVFZZTGP-SCLBCKFNSA-N	465.423	-2.154	5	20	JABD	
Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)n1	1839717454	BOSBJHARMMSBNB-IBGZPJMESA-N	461.435	-1.345	5	20	JABD	
CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839881115	MEVSLQOKYIESQI-JLTOFOAXSA-N	465.463	-1.263	5	20	JABD	
O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832796157	NRLASQHDMFCFIA-IBGZPJMESA-N	450.452	-1.130	5	20	JABD	
O=C(CCn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718635	FSLSJTFKWGGWLY-HXUWFJFHSA-N	475.462	-1.105	5	20	JABD	
CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718749	LRSNNNKJGXZHAP-HXUWFJFHSA-N	465.463	-1.261	5	20	JABD	
C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718948	WCCSJKBTRAZBJP-AUUYWEPGSA-N	451.436	-1.653	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1	1786979204	OYCJBFRBACQUOR-XEZPLFJOSA-N	498.456	-1.219	5	20	JABD	
CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837376092	RLVJRIBVLVAHOM-LIRRHRJNSA-N	467.483	-1.045	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837792944	PKWWKWGCDRTFSH-SFHVURJKSA-N	486.507	-1.882	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)ncc1[N+](=O)[O-]	1839918256	PXLVBEBMMNGPSW-OAQYLSRUSA-N	481.506	-1.345	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1786892768	LJXZYPMIAKSUNZ-YXWQFLTLSA-N	464.479	-1.671	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1	1832696147	AJPVNUISFGJDKR-KPZWWZAWSA-N	450.408	-1.409	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718746	LOBXWJCZKUCVJM-IBGZPJMESA-N	486.503	-1.352	5	20	JABD	
O=C(CCN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832795762	FZHVLLBZEPXGCZ-FQEVSTJZSA-N	466.495	-1.030	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	1833785392	RBLJIJDGWHMIKG-KRWDZBQOSA-N	464.527	-1.044	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837792943	PKWWKWGCDRTFSH-GOSISDBHSA-N	486.507	-1.882	5	20	JABD	
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O	30494676	JJHORNPZYOZNTF-UHFFFAOYSA-N	473.489	-1.313	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO3)N1	1839273909	UXHRCWSPAIUOHH-RNODOKPDSA-N	477.430	-1.032	5	20	JABD	
CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CC1	1835401054	XCKNVWHPERXKOA-OAQYLSRUSA-N	479.538	-1.115	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1832017700	CGTSUEGUYUWWIO-FQEVSTJZSA-N	476.446	-1.437	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)N1	1838825497	YTHRJNWNEYWINU-KPZWWZAWSA-N	450.408	-1.409	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793617326	UDEHAAHAPQVXPI-VTEUUUEMSA-N	473.442	-1.339	5	20	JABD	
O=C(NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1)c1nc[nH]c1[N+](=O)[O-]	1835101206	RSPQRIJDNFTKQK-UHFFFAOYSA-N	467.527	-1.210	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836484401	VLSKKHYHNLWYKM-VLIAUNLRSA-N	480.478	-1.340	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837694394	CKVFOCUKQAXWSK-AUUYWEPGSA-N	450.452	-1.062	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1831323142	IOYUCMOTPPCKCR-SJCJKPOMSA-N	474.496	-1.284	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839413626	LANIOJKNZKUWKW-OXQOHEQNSA-N	465.463	-1.037	5	20	JABD	
O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840201903	PDAPAJGJWRQBOW-MRXNPFEDSA-N	478.384	-1.074	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832804597	SKARLQWADPVEJK-RBUKOAKNSA-N	469.451	-1.137	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1	1839718204	GIOLPOSSWRTJSL-IBGZPJMESA-N	462.419	-1.045	5	20	JABD	
O=C1CCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717285	DCJAPVVSZYAAIE-OAQYLSRUSA-N	477.474	-1.165	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)C(=O)N1	1832474171	BXQHYZPUXOMRDP-GOSISDBHSA-N	465.423	-2.201	5	20	JABD	
O=C(CNC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832804076	PGECOYBRTNKYNT-MRXNPFEDSA-N	478.384	-1.074	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2	1838071054	MWZAAAVKZOWIOU-IBGZPJMESA-N	462.419	-1.045	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1	1839718477	XHFBNXYYZGYPRI-HXUWFJFHSA-N	490.429	-1.272	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2	1781560625	WROUROIZTOQDNK-PIPMEXSNSA-N	493.517	-1.079	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)ncc1[N+](=O)[O-]	1839702623	FODWQXIVCLEHHH-HXUWFJFHSA-N	479.446	-1.089	5	20	JABD	
CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718522	ZCNUHAZIOQMQBB-NRFANRHFSA-N	479.490	-1.015	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790653971	LLMQVHJPOZIKCW-OVWQWFNUSA-N	479.490	-1.113	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	1794004897	XNKLIHYTCUBZRG-CWPLJXCYSA-N	463.495	-1.455	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837737119	QANQJHWQBYAANN-HRAATJIYSA-N	495.489	-1.636	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(=O)C(=O)O	1839703375	FNUKBBCTEPUJQE-QGZVFWFLSA-N	454.396	-2.069	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)N1	1832687579	YZZFTMSNBJCOFZ-ACJLOTCBSA-N	465.423	-2.154	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1	1832800083	HLGQEIXZEUOLNB-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2	1781561421	DEPMOUHTBWKWKO-QSLMVLCRSA-N	463.491	-1.007	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2	1839413624	LANIOJKNZKUWKW-JXFKEZNVSA-N	465.463	-1.037	5	20	JABD	
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1	1829625770	NLOPLFDUDMVHHR-QFIPXVFZSA-N	480.518	-1.120	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cn5cc([N+](=O)[O-])cn5)CCO4)C3)cc21	1832796042	MWYZZHJRTKKVHD-FQEVSTJZSA-N	488.461	-1.499	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837203068	HQJMQMPNBQZGHW-QAPCUYQASA-N	470.439	-1.688	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1837798758	BWRIECBTGMFULU-SUMWQHHRSA-N	457.465	-1.035	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21	1790654864	IROCGDFPRNCZHU-BQFCYCMXSA-N	481.506	-1.977	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)C(=O)N1	1782782975	QOAICZMBEGNMKE-IBGZPJMESA-N	462.419	-1.862	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1	1832332754	VJZACZOKZHQFFL-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)n1	1832691027	MXTJAHPXLITAGJ-FKIZINRSSA-N	492.445	-1.334	5	20	JABD	
Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c(=O)nc1O	1840807287	IYSGSCRMLMTDCA-IBGZPJMESA-N	477.434	-1.341	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1	1832332890	XWXWYWCFWJIHFS-SFHVURJKSA-N	450.408	-1.455	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1	1833786811	NGUSQCJXODRYOO-UHFFFAOYSA-N	481.554	-1.351	5	20	JABD	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2	1839916496	QCUUESGFLYPCEJ-SGRIQBTBSA-N	482.490	-1.056	5	20	JABD	
CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831280004	WVOXXDFZPLCLFJ-LJQANCHMSA-N	451.436	-1.651	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n(C)c1=O	603455005	KHGXYGWRLFQJEA-UHFFFAOYSA-N	491.486	-1.125	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1	1839717486	CLNWDRZKUOFEPQ-NRFANRHFSA-N	489.441	-1.074	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1832329284	QKMAJOVVIIVYJY-QGZVFWFLSA-N	451.396	-2.060	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CN1	1829946354	MLNZQTREWVRYOU-LIRRHRJNSA-N	450.452	-1.226	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	1794003937	FWISULHPCRJMDG-CXHZTBPHSA-N	467.435	-1.124	5	20	JABD	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1	508387312	IDQJFRAQBGHWBL-LSDHHAIUSA-N	454.461	-1.378	5	20	JABD	
CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C(=O)C(=O)O	1781539028	JCTQAUVANJUMQD-AUUYWEPGSA-N	466.451	-1.152	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796930	JMEDHBUJAKVYPH-FZKQIMNGSA-N	454.440	-1.461	5	20	JABD	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	507910856	JNELYUIAOGFVAC-TZMCWYRMSA-N	452.445	-1.195	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832800874	KUWIULPTRZSBIJ-YLJYHZDGSA-N	497.461	-1.258	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)n1	1783255856	IHCOGFABUSTWJP-FQEVSTJZSA-N	467.479	-1.272	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21	1785215889	VRXNDWCZGAZFOG-WHOFXGATSA-N	471.434	-1.184	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)c1n[nH]cc1[N+](=O)[O-]	1798010755	JZARTIJIRNFDOH-YFKFIEJBSA-N	465.448	-1.014	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)ncc1[N+](=O)[O-]	1835563086	WPPYYWBJRNTCEJ-VBKZILBWSA-N	464.479	-1.039	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837799971	MKFOZFAAZXKJDI-QRWLVFNGSA-N	490.477	-1.142	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CC1	1782781894	HWEWROFNDSZDEN-QFIPXVFZSA-N	490.517	-1.250	5	20	JABD	
CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CCC1=O	1832793471	LYDJVBNWZLLIIS-LJQANCHMSA-N	463.451	-1.144	5	20	JABD	
C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839166356	LGMQNKCRIUAKBE-LIRRHRJNSA-N	451.436	-1.653	5	20	JABD	
C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)n1cnnn1	1840480547	WIGNPEKBIXIHBY-LIRRHRJNSA-N	476.450	-1.539	5	20	JABD	
Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)n(C)c1=O	1843388397	CAZOGDZSJXFQTM-UHFFFAOYSA-N	471.434	-1.418	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)N1	1832684322	PXVMRJBSRPUHDU-ZMZPIMSZSA-N	451.392	-1.144	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1839718165	DVENSPJVEUDFPB-TZIWHRDSSA-N	495.489	-2.137	5	20	JABD	
CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1	1800281369	BJHYCMKRSQULAX-UPHUGPLXSA-N	476.534	-1.016	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718747	LOBXWJCZKUCVJM-LJQANCHMSA-N	486.503	-1.352	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)n1	1793941016	CCYMGYHTYWXYBB-JNIYBQFBSA-N	462.419	-1.200	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c([N+](=O)[O-])c1	1835575392	NIPYTLNNYWIEJT-FQEVSTJZSA-N	478.462	-1.066	5	20	JABD	
CS(=O)(=O)N1CCN(CCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	604468059	WSFALSWQRIWUGW-UHFFFAOYSA-N	463.538	-1.043	5	20	JABD	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	507910557	JNELYUIAOGFVAC-JSGCOSHPSA-N	452.445	-1.195	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837607847	HEGRHYMHXYFMFG-RNODOKPDSA-N	488.461	-1.004	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837727176	KQOJVKBMGSCWJJ-VQIMIIECSA-N	468.467	-1.601	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2	1839662444	OYIDFWZAIJSXPC-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839273440	OPJYLFFLEUMARR-VLIAUNLRSA-N	465.463	-1.037	5	20	JABD	
NC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839719276	NTGHEQYGDPUGQL-SFHVURJKSA-N	452.424	-2.119	5	20	JABD	
O=C(NCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1	919820308	YQXPNHIFYXEBPI-HNNXBMFYSA-N	474.517	-1.014	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796943	JXGUHAQRNFYUHO-BEFAXECRSA-N	483.434	-1.117	5	20	JABD	
Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)ncc1[N+](=O)[O-]	1832476766	XTWMZAIRLJUQJO-HXUWFJFHSA-N	476.446	-1.080	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c([N+](=O)[O-])cc1O	1838601846	WQFKARNJXNROMU-ORAYPTAESA-N	453.452	-1.335	5	20	JABD	
CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837376090	RLVJRIBVLVAHOM-KUHUBIRLSA-N	467.483	-1.045	5	20	JABD	
O=C(Cn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717900	YKIBELQBBCYPPB-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)N1	1832795683	BWAFYPRVFZZTGP-UGSOOPFHSA-N	465.423	-2.154	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c([N+](=O)[O-])cc1O	1835745552	LTQZLALXGLOPRR-QKKBWIMNSA-N	495.489	-1.028	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1837798752	BWRIECBTGMFULU-CXAGYDPISA-N	457.465	-1.035	5	20	JABD	
COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831038962	BEWASGCKPXZDSA-IBGZPJMESA-N	454.436	-1.168	5	20	JABD	
CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839881116	MEVSLQOKYIESQI-VBKZILBWSA-N	465.463	-1.263	5	20	JABD	
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C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	1794004367	RZKHRRSQDSDLKM-FLTUCWPJSA-N	472.462	-1.011	5	20	JABD	
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CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800281504	QRHJCRVZXCKTOI-VWPFQQQWSA-N	485.519	-1.326	5	20	JABD	
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CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1788476439	UVVHQPGNNCCWPF-BWQRHGBYSA-N	481.462	-1.199	5	20	JABD	
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COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)n1	1795634457	WMUIFOJYHOIJOW-BUWBCJGYSA-N	450.452	-1.206	5	20	JABD	
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O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835408320	FLTXHCADCMDIKH-IBGZPJMESA-N	450.452	-1.130	5	20	JABD	
CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1835763736	MOFZSZKATDWDGX-JLTOFOAXSA-N	481.462	-1.724	5	20	JABD	
CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832798934	YTXBCDUOECXSFJ-SFHVURJKSA-N	469.524	-1.268	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)c([N+](=O)[O-])cc1O	1838602181	RLFHYVCFGUULRC-SZNDQCEHSA-N	495.489	-1.028	5	20	JABD	
CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1)C(=O)C(=O)O	1781561819	VCDVFGMBNWCGRH-QVKFZJNVSA-N	493.473	-1.187	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CN1	1829946350	MLNZQTREWVRYOU-IFXJQAMLSA-N	450.452	-1.226	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1)C(=O)C(=O)O	1839703957	PEZCSBPMSSVYDD-HXUWFJFHSA-N	480.430	-1.087	5	20	JABD	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	507910551	JNELYUIAOGFVAC-GXTWGEPZSA-N	452.445	-1.195	5	20	JABD	
O=C(CN(CCO)CCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1790908454	UXUKCDSLVWSRRU-XIRDDKMYSA-N	454.484	-1.942	5	20	JABD	
CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831279986	WVOXXDFZPLCLFJ-IBGZPJMESA-N	451.436	-1.651	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800281505	QRHJCRVZXCKTOI-ZJOBFFGXSA-N	485.519	-1.326	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2)C(=O)C(=O)O	1836508244	RFIRVNRHCDWUCL-KRWDZBQOSA-N	454.396	-2.069	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839717652	KPKRCKFGBRMMDQ-QVKFZJNVSA-N	477.474	-1.261	5	20	JABD	
C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718949	WCCSJKBTRAZBJP-IFXJQAMLSA-N	451.436	-1.653	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1835738457	QRDIDWGZVBYJQF-KBXCAEBGSA-N	453.456	-2.160	5	20	JABD	
O=C(COCCO)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718868	RXHZTIYSBPYFJY-IBGZPJMESA-N	454.436	-1.778	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840550581	FTZIGZJIVXFFSA-LJQANCHMSA-N	486.503	-1.352	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO3)N1	1829481444	RHYAOXHVVCIZKY-BBATYDOGSA-N	451.392	-1.144	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1779096829	OSLIDMIIPIINPG-ICSRJNTNSA-N	465.463	-1.763	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796931	JMEDHBUJAKVYPH-SCLBCKFNSA-N	454.440	-1.461	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1	1800282092	HTTCRACRAKRZBA-UPHUGPLXSA-N	490.517	-1.490	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797105	RBSXFMCSQOQPDF-RBZFPXEDSA-N	488.461	-1.004	5	20	JABD	
O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1786793081	WLYGCLROTWKQEN-YDHLFZDLSA-N	487.406	-1.539	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840177760	KCBUEWNJRJWMCT-OALUTQOASA-N	469.451	-1.137	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1	1832796384	YWJSAZDHNIFZHJ-IBGZPJMESA-N	462.419	-1.040	5	20	JABD	
Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)cc1O	1833409439	AZMNOFFOYZMFCT-FQEVSTJZSA-N	476.446	-1.034	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)c1nc[nH]c1[N+](=O)[O-]	1796401797	WNJSGUBAPDQUEB-BZBKMWRSSA-N	465.448	-1.014	5	20	JABD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1[N+](=O)[O-]	31487176	WOZMCHXAEVHLEU-UHFFFAOYSA-N	467.460	-1.003	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1832332383	PBAXULNKBGWBOF-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
Cc1cn(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c(=O)nc1O	1832804470	RNTABIUTQRVBSZ-FQEVSTJZSA-N	491.461	-1.481	5	20	JABD	
Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c(=O)nc1O	1836511183	QWSXXCAINFRBIL-IBGZPJMESA-N	477.434	-1.341	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2	1800281456	KKBFOQRWGHJBDE-AZKPJATDSA-N	462.419	-2.056	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1829960298	MNSJEXAZDPIXNM-YCRPNKLZSA-N	477.474	-1.261	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1795637271	ACZRTHJUJIRKAH-LKQDWFRTSA-N	450.452	-2.061	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)C(=O)N1	1837792852	KIUGLVBYSPWZIG-QGZVFWFLSA-N	451.396	-2.060	5	20	JABD	
C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718951	WCCSJKBTRAZBJP-LIRRHRJNSA-N	451.436	-1.653	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790654146	SVZIFCDRPIDLJU-YDHLFZDLSA-N	485.457	-1.061	5	20	JABD	
CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CCC1=O	1800281459	LJASWGHOGSCINN-IVWMJMPLSA-N	460.447	-1.046	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)C(=O)N1	1837792851	KIUGLVBYSPWZIG-KRWDZBQOSA-N	451.396	-2.060	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718865	RRXVQCOMXHMVSD-SFTDATJTSA-N	496.473	-1.171	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c([N+](=O)[O-])cc1O	1835745554	LTQZLALXGLOPRR-SZNDQCEHSA-N	495.489	-1.028	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCN1	1840233312	JCQYCOYXDSCHCA-YCRPNKLZSA-N	477.474	-1.261	5	20	JABD	
CN(C)C(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	917222446	CPYDNNMLFJIRLZ-UHFFFAOYSA-N	461.431	-1.034	5	20	JABD	
C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793108	DGUGYARYMJSLQH-KBXCAEBGSA-N	473.508	-1.072	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(O)O)C3)C2)cc([N+](=O)[O-])c1OC	1839470283	JGVKYUKPCIFYCC-LJQANCHMSA-N	455.420	-1.007	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1832322397	RLSYHCIZTBBFGZ-GOSISDBHSA-N	465.423	-2.201	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1839871360	GWCMRJXXDPTDGE-JLTOFOAXSA-N	463.447	-1.651	5	20	JABD	
C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)N1CCN(C)CC1	1839100420	RUDBJXPZMWSZTB-LAUBAEHRSA-N	479.538	-1.116	5	20	JABD	
O=C(Cn1ccncc1=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718811	OIWZZGZDRFULHJ-OAQYLSRUSA-N	488.457	-1.530	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)N1	1832697019	JMPCOJFWPFMCEL-YWZLYKJASA-N	477.430	-1.032	5	20	JABD	
C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831607839	AHXPGVHTVSGJAI-VLIAUNLRSA-N	465.463	-1.276	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832804590	SKARLQWADPVEJK-OALUTQOASA-N	469.451	-1.137	5	20	JABD	
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CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839215942	UOJOHVNYCKORGP-BTYIYWSLSA-N	477.474	-1.166	5	20	JABD	
Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)ncc1[N+](=O)[O-]	1796603114	FMVBUZYFUUOASN-CCWDJLKJSA-N	451.480	-1.212	5	20	JABD	
O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CCN1	1832804122	PRWJSLIUGRTICX-LIRRHRJNSA-N	450.452	-1.226	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2	1800285019	PNMOTCGOHMGWDN-YXPYIKCWSA-N	468.488	-1.077	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837737120	QANQJHWQBYAANN-IERDGZPVSA-N	495.489	-1.636	5	20	JABD	
O=C(CN1CCOC1=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831024105	PZFVUZAJCVODKZ-FQEVSTJZSA-N	479.446	-1.335	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)C(=O)O	1782788893	KVNLENIVVURRHJ-IBGZPJMESA-N	465.419	-1.871	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)N1	1832795675	BWAFYPRVFZZTGP-ACJLOTCBSA-N	465.423	-2.154	5	20	JABD	
O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCN1	1839718943	VWOLCXDVIKWTBI-QVKFZJNVSA-N	477.474	-1.261	5	20	JABD	
Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1	1839467037	IGECOVUORFZKHF-JOCHJYFZSA-N	496.517	-1.035	5	20	JABD	
CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718953	WEWFWQUKOWPYGU-HXUWFJFHSA-N	496.546	-1.303	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837737121	QANQJHWQBYAANN-IIBYNOLFSA-N	495.489	-1.636	5	20	JABD	
O=C(Cn1nccn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718538	AGBWTBAOARJMQP-IBGZPJMESA-N	461.435	-1.495	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1788470245	WMHYFFPHVIWGAP-MJFSBKNWSA-N	454.440	-1.165	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1838323081	HZVHBHNSBSCUGS-IBGZPJMESA-N	474.434	-1.550	5	20	JABD	
O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835414052	RXBKDPGYLCRGPM-NRFANRHFSA-N	477.474	-1.165	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1	1839718279	LHOQHWUCMLDFBH-QEEYODRMSA-N	450.448	-1.016	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837519816	FOEJXSKBNFKTDH-FUHWJXTLSA-N	454.440	-1.962	5	20	JABD	
Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1836304850	MDWHVSOEQNOFPW-IBGZPJMESA-N	461.435	-1.047	5	20	JABD	
C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)n1cnnn1	1840480544	WIGNPEKBIXIHBY-AUUYWEPGSA-N	476.450	-1.539	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1778353389	SVNGPZFJURUUHC-HXUWFJFHSA-N	463.495	-1.215	5	20	JABD	
O=C(NCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)NCc1ccc([N+](=O)[O-])cc1	498357762	ZZZAFGBKDPYXOS-UHFFFAOYSA-N	462.463	-1.076	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)n1	1782746561	DRBJKGZCKKTAEQ-LJQANCHMSA-N	465.419	-1.015	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c([N+](=O)[O-])c1	1830402708	GEZBITIYMIQIHQ-LJQANCHMSA-N	453.404	-1.238	5	20	JABD	
CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837500640	ZQXXIZZZVSGYKJ-BEFAXECRSA-N	483.434	-1.117	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1	1839413581	HIHRXCROFYRNGH-OXJNMPFZSA-N	465.463	-1.037	5	20	JABD	
O=C(CN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717279	CTQSLIAWBDGVJH-OAQYLSRUSA-N	479.490	-1.455	5	20	JABD	
O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1791395984	LQDLUKNRLFQVCS-DZKIICNBSA-N	473.442	-1.339	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c([N+](=O)[O-])cc1O	1835745551	LTQZLALXGLOPRR-LHSJRXKWSA-N	495.489	-1.028	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717732	MABDLEHYLDXQBV-IBGZPJMESA-N	486.503	-1.352	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2	1800282817	ZDJHLTNOPOFCTO-QHBPRCKVSA-N	460.403	-1.139	5	20	JABD	
O=C(CN1CCOC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1831024107	PZFVUZAJCVODKZ-HXUWFJFHSA-N	479.446	-1.335	5	20	JABD	
CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1788476437	UVVHQPGNNCCWPF-ATZCPQFDSA-N	481.462	-1.199	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1839654608	ZQBZGNCNHWVLGZ-KRWDZBQOSA-N	455.497	-1.128	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)[C@@H](O)N1CCOCC1	1788654483	GSHWKIKCORLFMH-BJMYLWLSSA-N	479.490	-1.613	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832804353	QKDGBMUBWUKSAX-QGZVFWFLSA-N	459.481	-1.318	5	20	JABD	
CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O	914923381	HOBHYOFMXKOMEI-UHFFFAOYSA-N	478.505	-1.138	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837731144	OGSRETXDPSGPQA-FZKQIMNGSA-N	454.440	-1.461	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2	1781560819	FUNRWIZOWJHZBV-MFLXSWDHSA-N	490.473	-1.132	5	20	JABD	
CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718442	UYJXDSVDBLIFBV-FQEVSTJZSA-N	496.546	-1.303	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837727174	KQOJVKBMGSCWJJ-LPHOPBHVSA-N	468.467	-1.601	5	20	JABD	
Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717380	KHRXARSGOHXZOE-IBGZPJMESA-N	461.435	-1.047	5	20	JABD	
CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718523	ZCNUHAZIOQMQBB-OAQYLSRUSA-N	479.490	-1.015	5	20	JABD	
NC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840921473	ABGKKGWUCWMBAP-GOSISDBHSA-N	452.424	-2.119	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)CC1	1778355858	AISHITSISNEBIP-QFIPXVFZSA-N	490.517	-1.250	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)n1	1839718464	WVGYBANELYVDLV-FQEVSTJZSA-N	490.477	-1.454	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718863	RRXVQCOMXHMVSD-NHCUHLMSSA-N	496.473	-1.171	5	20	JABD	
CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832800689	XQLCVUXJWDBSNB-SFHVURJKSA-N	469.524	-1.268	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO3)N1	1839273910	UXHRCWSPAIUOHH-XCLFUZPHSA-N	477.430	-1.032	5	20	JABD	
O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCN1	1840233311	JCQYCOYXDSCHCA-VFNWGFHPSA-N	477.474	-1.261	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793466	LSNSMZVYSVDVNS-GOSISDBHSA-N	453.456	-1.481	5	20	JABD	
CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1792628574	BJSAZCAZUXFXOH-FVCICTRLSA-N	450.452	-1.383	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832800595	VJMFWIRBUDISPL-LJQANCHMSA-N	470.483	-2.466	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)N1	1839717231	AQRUZESMESHKPH-XOBRGWDASA-N	463.447	-1.509	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717988	UZLDVIMQTWXJLR-FQEVSTJZSA-N	492.445	-2.235	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837519818	FOEJXSKBNFKTDH-SJLPKXTDSA-N	454.440	-1.962	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782783988	LNFMJLHNVPLVNM-ORAYPTAESA-N	450.452	-1.821	5	20	JABD	
O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O	1801358687	DZIXSDQTUQZONH-MUJYYYPQSA-N	451.480	-1.319	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832800588	VJMFWIRBUDISPL-IBGZPJMESA-N	470.483	-2.466	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1839919544	OOCSKCHFJHTLTC-OAQYLSRUSA-N	497.505	-2.501	5	20	JABD	
O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@@H](O)N1CCOCC1	1779411276	JVZHHJZQCWSRTQ-NSISKUIASA-N	466.495	-1.044	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2	1794003563	FFFPGCYIZOVHOE-CULMDFNYSA-N	457.407	-1.574	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)CC1	1785216893	NIPDUWPIYKEYGD-WDSOQIARSA-N	477.522	-1.065	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837799079	PYVHSJBPQSKIDC-SFHVURJKSA-N	456.456	-2.326	5	20	JABD	
C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)n1cnnn1	1839718620	FFZUUZZBQCCMFM-AUUYWEPGSA-N	476.450	-1.539	5	20	JABD	
CN1CC(=O)N(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O	749367846	MMPYAOLVEAFRNG-UHFFFAOYSA-N	483.459	-1.135	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)N1	1832696375	CSOOWGLQUBKCEA-RBZFPXEDSA-N	477.430	-1.032	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	1788774089	ZRFAPBLRALNGFP-HJWJTTGWSA-N	452.468	-1.078	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1	1839718742	LKBGEBKSRHGLJX-OXQOHEQNSA-N	498.514	-1.210	5	20	JABD	
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(CCO)CCO)C3)C2)ccc1[N+](=O)[O-]	1840759247	YAYJTMJDRIZVQL-JOCHJYFZSA-N	496.517	-1.040	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1796440926	ZQVJGTPWIXRDCL-CCWDJLKJSA-N	497.530	-1.228	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21	1790654091	QTHYWANWVWPZGD-MZRZTIOWSA-N	479.490	-1.613	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1832487418	VJZQPJPJHZSBLG-GOSISDBHSA-N	486.507	-1.882	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2	1781560823	GBBTVYWKYPHHIN-QVKFZJNVSA-N	490.473	-1.178	5	20	JABD	
C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837608998	KZFGPUAISHVTFH-RNODOKPDSA-N	488.461	-1.004	5	20	JABD	
CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CCC1=O	1832793470	LYDJVBNWZLLIIS-IBGZPJMESA-N	463.451	-1.144	5	20	JABD	
O=C(CN(CCO)CCO)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2	1839274707	PBCHCRXATWSIJQ-OAQYLSRUSA-N	482.490	-1.343	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1832325321	FMOZGVIAEORAPU-QGZVFWFLSA-N	451.396	-2.060	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)n1	1832797418	GAACHNRAPWMMQX-SFHVURJKSA-N	463.455	-1.419	5	20	JABD	
C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718267	LCLDZTVJWWYNJJ-YCRPNKLZSA-N	477.474	-1.096	5	20	JABD	
O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1839871361	GWCMRJXXDPTDGE-VBKZILBWSA-N	463.447	-1.651	5	20	JABD	
O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1836516470	AWIKRMDKIHOTEO-SFHVURJKSA-N	486.507	-1.187	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1n[nH]cc1[N+](=O)[O-]	1798007923	ZKNUVEMQKQHLBB-JJLQDPRZSA-N	456.481	-1.749	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)N1	1832684320	PXVMRJBSRPUHDU-BBATYDOGSA-N	451.392	-1.144	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CC1	1836764852	PAJGVPOLDRYPFN-FQEVSTJZSA-N	479.494	-1.448	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2	1838627683	ITGJDRWKUVRELI-SZNDQCEHSA-N	493.473	-1.014	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1832697954	UXLKCFYGCIBCPA-XCLFUZPHSA-N	492.445	-2.189	5	20	JABD	
O=C(CCN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717663	ROMCYEYLRRTPHD-QFIPXVFZSA-N	493.517	-1.065	5	20	JABD	
CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)CC1	1832797175	ANUBZPWIOVVSCO-OAQYLSRUSA-N	493.521	-1.588	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)C(=O)N1	1832480243	FFPZBUOOALFBEO-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832793768	SYQPRALJPFWVNF-FQEVSTJZSA-N	476.446	-1.437	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1837211142	IBHJKBIPAZAVMG-OXQOHEQNSA-N	497.461	-1.723	5	20	JABD	
CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718745	LNEHNJQPWSQRNO-YCRPNKLZSA-N	477.474	-1.166	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2	1835859456	ZTJJNGIGGVCSKC-LJQANCHMSA-N	462.419	-1.045	5	20	JABD	
NS(=O)(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	862534267	BKMMPAYITXJXIX-UHFFFAOYSA-N	476.537	-1.751	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1cc(=O)n2[nH]cnc2n1	1786976660	DHBAMHCUFKTUJB-KWBADKCTSA-N	457.407	-1.044	5	20	JABD	
O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1793945461	MCLAIWBFKJIQLK-AZKPJATDSA-N	462.419	-2.056	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2	1838641051	JOWMHZKAMDLVDB-FQEVSTJZSA-N	474.430	-1.390	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790652799	PAMWSLAKEYWEGP-YXWQFLTLSA-N	464.479	-1.671	5	20	JABD	
O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)N1	1839717230	AQRUZESMESHKPH-VLIAUNLRSA-N	463.447	-1.509	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2	1839780133	AEDFOLMUSMLTHS-YJBOKZPZSA-N	471.492	-1.175	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1782788480	ZGIWLXZMNBEKQM-QUCCMNQESA-N	465.463	-1.763	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837797038	OGIPNYOCLIAUNT-DYVFJYSZSA-N	456.412	-1.548	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1	1839718471	XDHAHOBNDANLSN-OAQYLSRUSA-N	498.456	-1.036	5	20	JABD	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1	1830911889	LUOQHKXNWKFLBV-QMYPENSCSA-N	482.490	-1.056	5	20	JABD	
O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782785843	VZMPQOKEPHYTST-NRFANRHFSA-N	473.442	-1.099	5	20	JABD	
O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2	1800580451	RLTMVXIYJVYZJG-CCWDJLKJSA-N	452.464	-1.210	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837732339	UYLNBQFBGUNBGN-FZKQIMNGSA-N	454.440	-1.461	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1	1781560420	KUNCOVSBBDGYQV-IUSZMWJPSA-N	478.506	-1.137	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)n1	1832691048	MXTJAHPXLITAGJ-YUNKPMOVSA-N	492.445	-1.334	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1	1835746160	SDXZQDVCWZYZJP-QKKBWIMNSA-N	493.473	-1.014	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1835748322	SMXUTPGAIAUSOG-JXFKEZNVSA-N	465.463	-1.037	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837732338	UYLNBQFBGUNBGN-ACJLOTCBSA-N	454.440	-1.461	5	20	JABD	
NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1798357037	OMODWIXBHMYJDO-JJLQDPRZSA-N	471.430	-1.451	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H]1CCCS1(=O)=O	1800394216	OESSYECDSFNOGN-IARIHHJXSA-N	468.488	-1.077	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1	1832800792	HWLSVJQEAATBRL-PKOBYXMFSA-N	468.467	-2.102	5	20	JABD	
COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c([N+](=O)[O-])c1	1830402707	GEZBITIYMIQIHQ-IBGZPJMESA-N	453.404	-1.238	5	20	JABD	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	611994215	HDPYIQWMTUCDDE-UHFFFAOYSA-N	459.415	-1.280	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)n1	1796720101	RXFAKSAVYFIDFO-UESRRSCYSA-N	465.463	-1.148	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)N1	1832697016	JMPCOJFWPFMCEL-MGPUTAFESA-N	477.430	-1.032	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	1785216635	FZAGDNBSSDSWAY-ATVPRXPUSA-N	454.440	-1.165	5	20	JABD	
O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)C(=O)N1	1832480207	CDRKUPXISYPIRC-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837462459	JVOMOCJWLPTSPW-SFHVURJKSA-N	469.524	-1.268	5	20	JABD	
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2	1839916318	NDTSDJLITHDTMN-JOCHJYFZSA-N	480.518	-1.120	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	1785216625	DYKPIVKCNCIMTQ-LLLHUVSDSA-N	452.468	-1.078	5	20	JABD	
COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)cc([N+](=O)[O-])c1OC	1830403393	RIEKPWPLJHEBFB-LJQANCHMSA-N	455.420	-1.007	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1839918521	GIAMFVCALOMBTC-GOSISDBHSA-N	456.456	-2.326	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832801245	WTOAUILYJDCGTJ-LPHOPBHVSA-N	468.467	-1.601	5	20	JABD	
CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CC1	1836667880	CHSXEWQXJBFMON-HXUWFJFHSA-N	465.511	-1.505	5	20	JABD	
CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718748	LRSNNNKJGXZHAP-FQEVSTJZSA-N	465.463	-1.261	5	20	JABD	
CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)O	1832796059	MAHUAJWQNKSQJT-KBXCAEBGSA-N	454.440	-1.690	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1793310223	CGZKBADYBGONGC-JFILPPLUSA-N	458.497	-1.291	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	1794000556	CEMYFGUFGXVFIC-JFILPPLUSA-N	458.497	-1.291	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)N1	1832691007	MONMEWNOQFAEKS-DYZYQPBXSA-N	451.396	-2.014	5	20	JABD	
CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1)C(=O)C(=O)O	1839704024	UWUQZCNWIKBAAL-GOSISDBHSA-N	453.408	-1.464	5	20	JABD	
CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1801532722	WAFKRIINHVGDKX-FVCICTRLSA-N	456.477	-1.219	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1839668357	NZFCVCQSQJFXEI-IBGZPJMESA-N	477.434	-1.178	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839717653	KPKRCKFGBRMMDQ-VFNWGFHPSA-N	477.474	-1.261	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718103	ADAXLZTWJWCKKG-KKSFZXQISA-N	495.489	-1.636	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782786030	WWCCDXMPRXKJMS-IBGZPJMESA-N	450.452	-1.142	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2	1800282719	OBHFNXFDLWXPTA-DPIQGUFMSA-N	484.429	-1.609	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)n1	1832325374	GFMRXOQBGYOKJO-HXUWFJFHSA-N	492.445	-1.380	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1	1836508277	STFYDWDPBNVRJA-SJCJKPOMSA-N	457.465	-1.035	5	20	JABD	
COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-]	512639374	FYLDQSJYNBUGGX-UHFFFAOYSA-N	463.447	-1.137	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1n[nH]c2c1CS(=O)(=O)C2	1795930742	MZPBTYSQNDILTG-CULMDFNYSA-N	479.475	-1.154	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)N1	1832684321	PXVMRJBSRPUHDU-VOJFVSQTSA-N	451.392	-1.144	5	20	JABD	
Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717763	ODDKMVOUZOSWRJ-LJQANCHMSA-N	461.435	-1.345	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2	1839783045	QSUGMQMANGOUNH-SUMWQHHRSA-N	457.465	-1.035	5	20	JABD	
C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)N1CCN(C)CC1	1839100421	RUDBJXPZMWSZTB-UTKZUKDTSA-N	479.538	-1.116	5	20	JABD	
CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(=O)O	1800282751	RKWVQSHXAMPLBV-LKQDWFRTSA-N	451.436	-1.591	5	20	JABD	
NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835749015	YNQPQLKIRJGJAU-VLIAUNLRSA-N	480.478	-2.194	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837731143	OGSRETXDPSGPQA-ACJLOTCBSA-N	454.440	-1.461	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1831323144	IOYUCMOTPPCKCR-SJKOYZFVSA-N	474.496	-1.284	5	20	JABD	
CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831333504	PLYNPQBPYYBGRR-QGZVFWFLSA-N	459.481	-1.318	5	20	JABD	
CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	585704452	XEDCXAQOWNKNMW-ZBFHGGJFSA-N	469.520	-1.049	5	20	JABD	
CN1CC(=O)N(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O	749367270	DUOSFSACOCMONF-UHFFFAOYSA-N	483.459	-1.135	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1	1839718833	PXGVNIHTCCICQZ-AVYPCKFXSA-N	465.463	-2.064	5	20	JABD	
Cc1cn(CC(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c(=O)nc1O	1832804486	RNTABIUTQRVBSZ-HXUWFJFHSA-N	491.461	-1.481	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1	1839273635	WAHWIACTUXGZEG-XOBRGWDASA-N	465.463	-1.037	5	20	JABD	
O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839718634	FSLSJTFKWGGWLY-FQEVSTJZSA-N	475.462	-1.105	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)C(=O)N1	1832796314	WUSDYPXURDHGHK-SFHVURJKSA-N	465.423	-2.201	5	20	JABD	
C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718266	LCLDZTVJWWYNJJ-VFNWGFHPSA-N	477.474	-1.096	5	20	JABD	
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	502721684	JFHOGSIHGZBXQO-JKSUJKDBSA-N	476.533	-1.123	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21	1790652186	HQGHSMJDOMNRJL-ABHRYQDASA-N	476.446	-1.666	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2	1838071057	MWZAAAVKZOWIOU-LJQANCHMSA-N	462.419	-1.045	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2	1838627681	ITGJDRWKUVRELI-QKKBWIMNSA-N	493.473	-1.014	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO3)C(=O)N1	1839413204	KGTYLYAWZDQHOZ-FQEVSTJZSA-N	477.430	-1.078	5	20	JABD	
C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1801008649	VEBLHEIDKWLTGK-QLBVAGGCSA-N	466.447	-1.038	5	20	JABD	
CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2)C(=O)C(=O)O	1838828126	JCFYBOKKNQVCOZ-SFHVURJKSA-N	453.408	-1.464	5	20	JABD	
Cn1cnc2c1c(=O)n(CC(=O)N1CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)c(=O)n2C	15928199	WTTSTQCJGAYWRB-UHFFFAOYSA-N	491.486	-1.125	5	20	JABD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)n1	1796718725	ZJRBMPDEVJFARJ-CULMDFNYSA-N	462.419	-1.247	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O	1800282801	XJLWTPPUQQXPTM-ZWUHOBOKSA-N	450.452	-1.207	5	20	JABD	
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	1801284020	VRLQQBSSCSWLRC-QOIYZWAUSA-N	474.478	-1.149	5	20	JABD	
CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1837208966	PGQXUVXESNTECQ-DYVFJYSZSA-N	456.412	-1.548	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796932	JMEDHBUJAKVYPH-UGSOOPFHSA-N	454.440	-1.461	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1788778694	UEPCTYCKSNWJOV-CUSZFKRNSA-N	479.490	-1.113	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CN1	1832793171	FWYKPNFWHWAKRE-KUHUBIRLSA-N	450.452	-1.226	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840177759	KCBUEWNJRJWMCT-MOPGFXCFSA-N	469.451	-1.137	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1	1779096830	OSLIDMIIPIINPG-QUCCMNQESA-N	465.463	-1.763	5	20	JABD	
O=C(CN(CCO)CCO)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1783261328	FJMPDQGCFKNEKO-FQEVSTJZSA-N	467.479	-2.127	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2	1829484619	LEMAYFFIRRYYLD-MRXNPFEDSA-N	462.352	-1.017	5	20	JABD	
Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1833235107	SMYYXINDMPKHLA-LJQANCHMSA-N	461.435	-1.345	5	20	JABD	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1	1837794572	TXVRNQPPRPSWEV-SFHVURJKSA-N	495.474	-1.147	5	20	JABD	
NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1	1835561507	WTSBWNLATOVZNM-QKKBWIMNSA-N	493.473	-1.014	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796929	JMEDHBUJAKVYPH-ACJLOTCBSA-N	454.440	-1.461	5	20	JABD	
O=C(CN(CCO)CCO)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782788970	MTVLWOLGJAWXJG-FQEVSTJZSA-N	467.479	-2.127	5	20	JABD	
O=C(CN1CCOC1=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831013706	UEPGUZZJOTVRPU-GOSISDBHSA-N	452.424	-1.300	5	20	JABD	
O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1	1832332385	PBAXULNKBGWBOF-HXUWFJFHSA-N	477.430	-1.078	5	20	JABD	
C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840177762	KCBUEWNJRJWMCT-RTBURBONSA-N	469.451	-1.137	5	20	JABD	
O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2	1781837463	VWGYHHLVEDCNRN-AUUYWEPGSA-N	454.484	-1.268	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2	1794003553	CNSREWUELCEFGP-CULMDFNYSA-N	479.475	-1.154	5	20	JABD	
Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1833235103	SMYYXINDMPKHLA-IBGZPJMESA-N	461.435	-1.345	5	20	JABD	
O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21	1785154195	CJWBSBIRDSMAIG-XPCVCDNBSA-N	476.446	-1.666	5	20	JABD	
COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2	1797970233	HGJOLIQWXHRNEL-BASYENTBSA-N	465.463	-1.503	5	20	JABD	
CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)O	1832796060	MAHUAJWQNKSQJT-KDOFPFPSSA-N	454.440	-1.690	5	20	JABD	
O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1839669112	HQSSAWOJDBJUMO-SFHVURJKSA-N	463.407	-1.038	5	20	JABD	
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1831316380	BOGXKIKCNCWSSZ-KBXCAEBGSA-N	488.523	-1.425	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1	1837796945	JXGUHAQRNFYUHO-HNAYVOBHSA-N	483.434	-1.117	5	20	JABD	
O=C(CN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717278	CTQSLIAWBDGVJH-NRFANRHFSA-N	479.490	-1.455	5	20	JABD	
N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1	1790652280	IYOYTRZQIFWZEG-DZKIICNBSA-N	461.479	-1.424	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2	1832804349	QKDGBMUBWUKSAX-KRWDZBQOSA-N	459.481	-1.318	5	20	JABD	
NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2	1838627680	ITGJDRWKUVRELI-LHSJRXKWSA-N	493.473	-1.014	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2	1836257355	AFRVWLRFJHYXKY-SFHVURJKSA-N	495.474	-1.147	5	20	JABD	
CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717803	QHQRLVKRYOUGMQ-HXUWFJFHSA-N	480.478	-1.516	5	20	JABD	
CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2	1837796956	KNHXDWBXQBOSGD-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
NS(=O)(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1	862534685	KKJDDNWRUPNRBX-UHFFFAOYSA-N	476.537	-1.751	5	20	JABD	
CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(=O)O	1782784514	UUTZYMUJMMPYID-BFUOFWGJSA-N	451.436	-1.351	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2	1837521315	ZKPDHLDTCBWPBU-IEBWSBKVSA-N	453.452	-1.357	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2	1782784390	SHYKTVPYMNMDKQ-FQEVSTJZSA-N	484.429	-1.369	5	20	JABD	
COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)c([N+](=O)[O-])c1	1800580408	NXQPUMZBKRVDBO-CWPLJXCYSA-N	494.501	-1.129	5	20	JABD	
O=C1CN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)C(=O)N1	1839717958	UBOYJGIGTPEBBG-FQEVSTJZSA-N	492.445	-2.235	5	20	JABD	
O=C1NC(=O)[C@@H](CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)N1	1838825498	YTHRJNWNEYWINU-KZULUSFZSA-N	450.408	-1.409	5	20	JABD	
O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717284	DCJAPVVSZYAAIE-NRFANRHFSA-N	477.474	-1.165	5	20	JABD	
Nc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)n1	1778853501	JZNWVBDSHTXYLY-LJQANCHMSA-N	460.451	-1.081	5	20	JABD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2)c1nc[nH]c1[N+](=O)[O-]	1796401671	FHOWUQKNWKSOSX-DABQJJPHSA-N	456.481	-1.749	5	20	JABD	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2	1836257350	AFRVWLRFJHYXKY-GOSISDBHSA-N	495.474	-1.147	5	20	JABD	
CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1840548680	UFDDIHZHDQATMP-KRWDZBQOSA-N	459.481	-1.318	5	20	JABD	
Cn1cnc2c1c(=O)n(CC(=O)N1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)c(=O)n2C	26941066	UYFYCILKEMMVGO-UHFFFAOYSA-N	491.486	-1.125	5	20	JABD	
CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1)C(=O)C(=O)O	1790655100	LXYBLSXLLIUOND-YDHLFZDLSA-N	479.446	-1.721	5	20	JABD	
Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1O	1839717660	KWTFHLCIFYDFIG-HXUWFJFHSA-N	476.446	-1.034	5	20	JABD	
NC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839719275	NTGHEQYGDPUGQL-GOSISDBHSA-N	452.424	-2.119	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	1837727175	KQOJVKBMGSCWJJ-QFBILLFUSA-N	468.467	-1.601	5	20	JABD	
NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	1785217886	LOHCIYONGDRODS-UBHSHLNASA-N	458.435	-1.026	5	20	JABD	
N=C1NCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1835640009	FSTDMCGOHLVYOE-FQEVSTJZSA-N	477.478	-1.947	5	20	JABD	
O=C1NCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO4)cc21	1837794546	WKLCUCKYOUCINJ-LJQANCHMSA-N	474.434	-1.358	5	20	JABD	
NC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1840921474	ABGKKGWUCWMBAP-SFHVURJKSA-N	452.424	-2.119	5	20	JABD	
C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839717823	RREJJTZUAOEZFB-XOBRGWDASA-N	465.463	-1.276	5	20	JABD	
O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CN1	1839719028	ZZODSTKSBGQFLG-VBKZILBWSA-N	463.447	-1.651	5	20	JABD	
CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718275	LGWHMQWMDJJBMW-XOBRGWDASA-N	480.478	-1.340	5	20	JABD	
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)cc([N+](=O)[O-])c1OC	1839471657	JFFBRNAUWSVZRM-VBKZILBWSA-N	467.479	-1.032	5	20	JABD	
COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1	1782787876	RZFXIFBLAFUPDI-MGPUTAFESA-N	465.463	-1.263	5	20	JABD	
CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1	1837497017	CDETYCUUDLLRCK-IFXJQAMLSA-N	483.434	-1.117	5	20	JABD	
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1	604433744	KEDKSQIUFLUNMF-UHFFFAOYSA-N	491.548	-1.016	5	20	JABD	
COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)ccc1[N+](=O)[O-]	1839137465	VSZVAJXDWCDLLG-YWZLYKJASA-N	451.480	-1.112	5	20	JABD	
CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1	1832793733	RRUMRNZBXPJLRT-KDOFPFPSSA-N	488.523	-1.425	5	20	JABD	
Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)no1	1832800273	DFVYJUBJLVZJGQ-HXUWFJFHSA-N	491.461	-1.026	5	20	JABD	
CN(CC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)C(=O)C(=O)O	1833786625	AODHTIGSEXPKQB-UHFFFAOYSA-N	479.494	-1.094	5	20	JABD	
CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1	1839718274	LGWHMQWMDJJBMW-VLIAUNLRSA-N	480.478	-1.340	5	20	JABD	
O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)O1	1839717473	CAORZBIJKGZDDN-LIRRHRJNSA-N	465.419	-1.679	5	20	JABD	
Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)no1	1832800265	DFVYJUBJLVZJGQ-FQEVSTJZSA-N	491.461	-1.026	5	20	JABD	
O=C(CNCP(=O)(O)O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2	1838826477	HVMALIYGQPVFMD-INIZCTEOSA-N	461.368	-1.282	5	20	JABD	
O=C(Cn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2	1839717901	YKIBELQBBCYPPB-LJQANCHMSA-N	461.435	-1.495	5	20	JABD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2	1800281457	KKBFOQRWGHJBDE-BUWBCJGYSA-N	462.419	-2.056	5	20	JABD	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1	1832795694	CSGWQWHMYLZICX-SFHVURJKSA-N	463.407	-1.237	5	20	JABD	
CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1	1839654715	GJLNRDWOWFXUGB-QGZVFWFLSA-N	455.497	-1.128	5	20	JABD	
O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CN1	1829960296	MNSJEXAZDPIXNM-QVKFZJNVSA-N	477.474	-1.261	5	20	JABD	
O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2	1837512430	KSDWWVPWVMLJSR-HKUYNNGSSA-N	454.436	-1.092	5	20	JABD	
O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)N1	1782782513	JGMJHQJRIIWINX-BUXKBTBVSA-N	462.419	-1.816	5	20	JABD	
O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)=NN1	1837366238	QENQDWYBBMBJCF-LJQANCHMSA-N	462.419	-1.911	5	20	JABD	
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-]	1788810387	PMEMMKZCJJRCOW-YDHLFZDLSA-N	470.508	-1.358	5	20	JABD	
O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2	1793837640	ABMIEPIUVOXQEH-FVCICTRLSA-N	455.493	-1.144	5	20	JABD	
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