smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 54613567 XLBNQKSPGORFRB-ZETCQYMHSA-N 195.222 2.200 5 20 AEBD CCCCCn1c([N+](=O)[O-])cnc1C 604476450 YOPLPMTZBHJJDL-UHFFFAOYSA-N 197.238 2.290 5 20 AEBD CCN(C)Cc1ccccc1[N+](=O)[O-] 603581597 VDRMTHHTAAUHIN-UHFFFAOYSA-N 194.234 2.047 5 20 AEBD CN(c1ccccc1[N+](=O)[O-])C1CC1 334426892 WIBCUSYDJAYTHI-UHFFFAOYSA-N 192.218 2.193 5 20 AEBD CC/C=C/CCn1ccnc1[N+](=O)[O-] 918377493 IUBRKFOPQXMKNR-ONEGZZNKSA-N 195.222 2.148 5 20 AEBD CN(c1ccc([N+](=O)[O-])cc1)C1CC1 914770887 SXQIHJMNOHIRPK-UHFFFAOYSA-N 192.218 2.193 5 20 AEBD CCC[C@H](C)CCCC(=O)NO 379328400 PELWEGWPGDEFQI-QMMMGPOBSA-N 173.256 2.098 5 20 AEBD O=[N+]([O-])C=Cc1ccc(F)cc1 1875409557 VRFSQVFSQAYHRU-UHFFFAOYSA-N 167.139 2.073 5 20 AEBD CC1(C)CC(n2cnc([N+](=O)[O-])c2)C1 601075323 NYMPUKPXMBLECM-UHFFFAOYSA-N 195.222 2.152 5 20 AEBD Cc1cc([N+](=O)[O-])c2nc(C)[nH]c2c1 37637708 HIAZQKIWCINENG-UHFFFAOYSA-N 191.190 2.088 5 20 AEBD CC[C@H](C)n1cc([N+](=O)[O-])c(C)n1 335208402 JBKFRTKVDLZGIK-LURJTMIESA-N 183.211 2.071 5 20 AEBD CCOc1cc(C)ccc1[N+](=O)[O-] 169117870 XHSBXROPHBVKIB-UHFFFAOYSA-N 181.191 2.302 5 20 AEBD CCNc1ccc([N+](=O)[O-])c(OC)c1 82523338 RYSXHQWOAFQIQM-UHFFFAOYSA-N 196.206 2.035 5 20 AEBD CCC(=O)c1cc(F)ccc1[N+](=O)[O-] 34964953 QVRDHUNRRQAHAT-UHFFFAOYSA-N 197.165 2.327 5 20 AEBD Cc1ccc(N2CCC2)c([N+](=O)[O-])c1 306686882 KSQQEAQGXYDURK-UHFFFAOYSA-N 192.218 2.113 5 20 AEBD CCNc1cccc(OC)c1[N+](=O)[O-] 87840818 ZEPHVRIVOZIYNM-UHFFFAOYSA-N 196.206 2.035 5 20 AEBD COCCCc1ccccc1[N+](=O)[O-] 143866757 WLOCVDBTIFBUJZ-UHFFFAOYSA-N 195.218 2.174 5 20 AEBD O=[N+]([O-])c1cccc(C2CC2)c1 32137176 NUPSUMGHUALRQZ-UHFFFAOYSA-N 163.176 2.472 5 20 AEBD CCOc1c([N+](=O)[O-])cnc(C)c1C 594901401 RIDIGQBKIINLPN-UHFFFAOYSA-N 196.206 2.005 5 20 AEBD C[C@@H](CF)Nc1ccc([N+](=O)[O-])cc1 307284944 LRBVUBDVZFDEFE-ZETCQYMHSA-N 198.197 2.365 5 20 AEBD O=[N+]([O-])c1cccc2c1CC=C2 39432241 XIABDXIZFQYNDM-UHFFFAOYSA-N 161.160 2.164 5 20 AEBD Cc1cc(OCCF)ccc1[N+](=O)[O-] 196044542 SJGOGHAQKZRWEE-UHFFFAOYSA-N 199.181 2.252 5 20 AEBD Cc1cccc(NC[C@H](C)[N+](=O)[O-])c1 1898211748 RKZLAFZGSLBPQR-VIFPVBQESA-N 194.234 2.072 5 20 AEBD CCc1cc(Cl)ncc1[N+](=O)[O-] 104480037 UPCPWQBNVJOZLN-UHFFFAOYSA-N 186.598 2.206 5 20 AEBD COc1ccc2occ([N+](=O)[O-])c2c1 536954434 LUVOPVKGCRMBCV-UHFFFAOYSA-N 193.158 2.350 5 20 AEBD CN(CCF)c1ccc([N+](=O)[O-])cc1 865839901 XGBMRTQIMXLTIL-UHFFFAOYSA-N 198.197 2.001 5 20 AEBD O=[N+]([O-])c1cc2c(Cl)c[nH]c2cn1 101179739 TXNLKZBXMPRLAS-UHFFFAOYSA-N 197.581 2.125 5 20 AEBD in-vitro Cc1cccc(SCC[N+](=O)[O-])c1 899877157 WPZZGDJTXGGPKM-UHFFFAOYSA-N 197.259 2.364 5 20 AEBD CCC(CC)Cn1cnc([N+](=O)[O-])c1 594886358 ZJAHAPXUHYTRPN-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD CCNCc1cccc([N+](=O)[O-])c1C 35648578 PTRFYCBSPHWKBE-UHFFFAOYSA-N 194.234 2.013 5 20 AEBD CCNc1cccc(F)c1[N+](=O)[O-] 37420496 ZUZKZIZHOSLYAV-UHFFFAOYSA-N 184.170 2.166 5 20 AEBD CC/C=C\CCn1ccnc1[N+](=O)[O-] 918377491 IUBRKFOPQXMKNR-ARJAWSKDSA-N 195.222 2.148 5 20 AEBD C[C@H](c1ccccc1)[N+](=O)[O-] 2029502 GJOVHPKYFFGKCY-SSDOTTSWSA-N 151.165 2.024 5 20 AEBD in-vitro CCCCCC[C@@H](C)CC(=O)NO 388692287 LDORMZCWWOMEPU-SECBINFHSA-N 187.283 2.488 5 20 AEBD C[C@H](CF)Nc1ccccc1[N+](=O)[O-] 306248351 YOSAPGHNWFYFBF-SSDOTTSWSA-N 198.197 2.365 5 20 AEBD C=C=CCNc1ccc([N+](=O)[O-])cc1 196647569 AIQJNAAWKINXQP-UHFFFAOYSA-N 190.202 2.348 5 20 AEBD CCCCC[C@@H](C(=O)NO)C(C)C 388843720 YVVLFOFFWJKCKV-SECBINFHSA-N 187.283 2.344 5 20 AEBD CCNc1cc([N+](=O)[O-])ccc1OC 35228985 QHSCCGOQARPZSP-UHFFFAOYSA-N 196.206 2.035 5 20 AEBD CC/C=C\CCn1cc([N+](=O)[O-])cn1 613400698 MTYSBHRCIMBUAC-ARJAWSKDSA-N 195.222 2.148 5 20 AEBD CC(C)Cc1cc([N+](=O)[O-])ccc1O 59784062 KUXCNLALBPWCNO-UHFFFAOYSA-N 195.218 2.499 5 20 AEBD CNc1ccc(Cl)c([N+](=O)[O-])c1 5996573 AKWYUIABSIEMJY-UHFFFAOYSA-N 186.598 2.290 5 20 AEBD CC[C@H](C)Nc1ccc([N+](=O)[O-])cn1 20008619 CPCXMFKPCLHODI-ZETCQYMHSA-N 195.222 2.200 5 20 AEBD O=[N+]([O-])CCc1ccc(Cl)cc1 2519153 PXPMXGBWFXMDTR-UHFFFAOYSA-N 185.610 2.159 5 20 AEBD COc1cccc2cc([N+](=O)[O-])oc12 1688688 AZXFRACMLPEVGC-UHFFFAOYSA-N 193.158 2.350 5 20 AEBD O=Cc1cc([N+](=O)[O-])ccc1C1CC1 585164641 AGDXSQWGHNEXGL-UHFFFAOYSA-N 191.186 2.285 5 20 AEBD O=[N+]([O-])c1cn([C@H]2C=CCCC2)cn1 38812003 KQEKOKDXHKWSIQ-QMMMGPOBSA-N 193.206 2.073 5 20 AEBD CC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 54613563 XLBNQKSPGORFRB-SSDOTTSWSA-N 195.222 2.200 5 20 AEBD O=[N+]([O-])c1ccccc1-c1ccno1 34076198 IHCXQRLFNIQDPI-UHFFFAOYSA-N 190.158 2.250 5 20 AEBD Cc1nn(CCC(C)C)cc1[N+](=O)[O-] 611534413 QVUMQOCFDGHVJI-UHFFFAOYSA-N 197.238 2.146 5 20 AEBD CSCc1ccccc1[N+](=O)[O-] 39383319 RGKGUSHOHQIMII-UHFFFAOYSA-N 183.232 2.458 5 20 AEBD Cc1ccc(NC[C@@H](C)[N+](=O)[O-])cc1 687728385 YPGMETWXVWPUGV-SECBINFHSA-N 194.234 2.072 5 20 AEBD Cc1cc2[nH]ccc2cc1[N+](=O)[O-] 146471574 QFYZRVODMHFKKF-UHFFFAOYSA-N 176.175 2.385 5 20 AEBD CC/C=C/CCn1cc([N+](=O)[O-])cn1 613400699 MTYSBHRCIMBUAC-ONEGZZNKSA-N 195.222 2.148 5 20 AEBD CC(C)(C)CCn1nccc1[N+](=O)[O-] 585732129 VWYMDOJQJJHBFM-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD O=[N+]([O-])c1ccsc1N1CCCC1 306419943 YGYDNGQCAJBITA-UHFFFAOYSA-N 198.247 2.257 5 20 AEBD CC1(C)CC(n2ccnc2[N+](=O)[O-])C1 918388269 YHGLMEFJAXBXRQ-UHFFFAOYSA-N 195.222 2.152 5 20 AEBD CC(C)(C)CCn1cnc([N+](=O)[O-])c1 585732189 ZBQGUYKLEBMVCC-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD COc1cc(C)c(F)c([N+](=O)[O-])c1 307117500 URADHKWFKFYOIQ-UHFFFAOYSA-N 185.154 2.051 5 20 AEBD Cc1nn(CC(C)C)c(C)c1[N+](=O)[O-] 336025643 WQJTZBBHNOVDGX-UHFFFAOYSA-N 197.238 2.064 5 20 AEBD CC(C)CNc1ccc([N+](=O)[O-])nc1 54614128 CSNKONIZUYZMBH-UHFFFAOYSA-N 195.222 2.058 5 20 AEBD CCc1ccc(C)c([N+](=O)[O-])c1 39208677 OYEVYFDODMGKAN-UHFFFAOYSA-N 165.192 2.466 5 20 AEBD CC[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 20008616 CPCXMFKPCLHODI-SSDOTTSWSA-N 195.222 2.200 5 20 AEBD CCSCc1cccnc1[N+](=O)[O-] 902298534 SHJBMMMAODJPOU-UHFFFAOYSA-N 198.247 2.243 5 20 AEBD CC/C=C\CCn1cnc([N+](=O)[O-])c1 613399653 ZVLHEDHWAUULAX-ARJAWSKDSA-N 195.222 2.148 5 20 AEBD CCNc1c(F)ccc([N+](=O)[O-])c1C 306182696 YEXOVOCXAMJGDS-UHFFFAOYSA-N 198.197 2.474 5 20 AEBD O=[N+]([O-])c1ccsc1NC1CC1 306188359 AXLYLTKACCFCPS-UHFFFAOYSA-N 184.220 2.231 5 20 AEBD CCc1ccc([N+](=O)[O-])cc1NC 306171144 SKHQLEYUTFYYSO-UHFFFAOYSA-N 180.207 2.199 5 20 AEBD C[C@@H](c1ccccc1)[N+](=O)[O-] 2029499 GJOVHPKYFFGKCY-ZETCQYMHSA-N 151.165 2.024 5 20 AEBD in-vitro C[C@H]1CNc2ccc([N+](=O)[O-])cc21 146964786 CTARBYHKGHJWLQ-LURJTMIESA-N 178.191 2.124 5 20 AEBD CC(C)=CCn1cc([N+](=O)[O-])c(C)n1 334370665 WHKDMAKFLNHEIO-UHFFFAOYSA-N 195.222 2.066 5 20 AEBD CCCNc1ccccc1[N+](=O)[O-] 19997573 FDHOTNRJUHFIGT-UHFFFAOYSA-N 180.207 2.417 5 20 AEBD CCOc1ccc([N+](=O)[O-])cc1NC 217096019 PCXVZEWKQOCVOZ-UHFFFAOYSA-N 196.206 2.035 5 20 AEBD Cc1cc(C)c(F)c([N+](=O)[O-])c1 59209280 QOMYCNBCBLXUSX-UHFFFAOYSA-N 169.155 2.351 5 20 AEBD CC(C)CCCSCC[N+](=O)[O-] 899881770 QBBUEFYQWBIFSU-UHFFFAOYSA-N 191.296 2.433 5 20 AEBD O=[N+]([O-])c1sccc1NC1CC1 306953399 ICRIUKCSFJDODA-UHFFFAOYSA-N 184.220 2.231 5 20 AEBD O=[N+]([O-])c1cccc(F)c1NC1CC1 142291215 MLIFSFVUHUXTDQ-UHFFFAOYSA-N 196.181 2.308 5 20 AEBD C[C@@H](CF)Nc1ccccc1[N+](=O)[O-] 306248352 YOSAPGHNWFYFBF-ZETCQYMHSA-N 198.197 2.365 5 20 AEBD CC[C@@H](C)Cn1c([N+](=O)[O-])cnc1C 611112272 YOQTWJMMISRQPT-SSDOTTSWSA-N 197.238 2.146 5 20 AEBD O=[N+]([O-])c1sccc1NCC1CC1 306624287 FJKSDPQGOPOPHF-UHFFFAOYSA-N 198.247 2.478 5 20 AEBD Cc1cc(F)c(C)c([N+](=O)[O-])c1 44713430 FYWMXGMQKUXQHG-UHFFFAOYSA-N 169.155 2.351 5 20 AEBD in-vitro C=Cc1cc(F)ccc1[N+](=O)[O-] 98179661 RKFMDUVMPSAXRJ-UHFFFAOYSA-N 167.139 2.377 5 20 AEBD CCCCCC(C)(C)C(=O)NO 379314148 LQWWSQWERIQDLZ-UHFFFAOYSA-N 173.256 2.098 5 20 AEBD CC[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 335208403 JBKFRTKVDLZGIK-ZCFIWIBFSA-N 183.211 2.071 5 20 AEBD Cc1cccc(NC[C@@H](C)[N+](=O)[O-])c1 1898211747 RKZLAFZGSLBPQR-SECBINFHSA-N 194.234 2.072 5 20 AEBD CCNc1cc([N+](=O)[O-])ccc1NC 843297991 KGWCJVTYVFZRJD-UHFFFAOYSA-N 195.222 2.068 5 20 AEBD O=[N+]([O-])c1ccsc1NCC1CC1 306404906 UQSNHYDKSMOAKZ-UHFFFAOYSA-N 198.247 2.478 5 20 AEBD CCCCNc1cccnc1[N+](=O)[O-] 156935514 ADFLKSRNLCTWCK-UHFFFAOYSA-N 195.222 2.202 5 20 AEBD O=[N+]([O-])c1ccccc1-c1ncco1 39215760 JWLIPOOAITVBES-UHFFFAOYSA-N 190.158 2.250 5 20 AEBD in-vitro O=[N+]([O-])c1cn([C@@H]2C=CCCC2)cn1 38812004 KQEKOKDXHKWSIQ-MRVPVSSYSA-N 193.206 2.073 5 20 AEBD CCOc1nc(C)cc(C)c1[N+](=O)[O-] 611679398 IRSGXBMVGVBUPY-UHFFFAOYSA-N 196.206 2.005 5 20 AEBD CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 37176715 LCWRMYMDQRLBRG-MRVPVSSYSA-N 194.234 2.265 5 20 AEBD Cc1ccc(NC2CC2)c([N+](=O)[O-])c1 37401027 YFCAQDQIZBXGDQ-UHFFFAOYSA-N 192.218 2.478 5 20 AEBD CC(=O)c1cccc([N+](=O)[O-])c1Cl 39233490 CLNZAUGOXHAXLL-UHFFFAOYSA-N 199.593 2.451 5 20 AEBD CC[C@H](C)Cn1cc(C)c([N+](=O)[O-])n1 619745427 VXWNWLGNVQILIE-ZETCQYMHSA-N 197.238 2.146 5 20 AEBD CCNc1ccc(F)c([N+](=O)[O-])c1 35229009 ZCYMTQWVRUICLO-UHFFFAOYSA-N 184.170 2.166 5 20 AEBD O=[N+]([O-])c1cnn([C@H]2C=CCCC2)c1 334372136 YBVPQXFIUCFJLE-QMMMGPOBSA-N 193.206 2.073 5 20 AEBD CC(C)CNc1ccc([N+](=O)[O-])cn1 21816326 QGVQJTQINIQAIQ-UHFFFAOYSA-N 195.222 2.058 5 20 AEBD O=[N+]([O-])c1cccc2sncc12 137481350 JJSWRWOWWXTUBG-UHFFFAOYSA-N 180.188 2.205 5 20 AEBD O=[N+]([O-])c1c(F)cccc1NC1CC1 37420466 OOOKEMIPYOIUDX-UHFFFAOYSA-N 196.181 2.308 5 20 AEBD CCC[C@@H](C)CCCC(=O)NO 379328399 PELWEGWPGDEFQI-MRVPVSSYSA-N 173.256 2.098 5 20 AEBD CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 20084611 SZLJNFVZWURMKH-QMMMGPOBSA-N 194.234 2.265 5 20 AEBD Cc1cc(C=O)c(C)c([N+](=O)[O-])c1 39307880 SNIIADHYLUSXJJ-UHFFFAOYSA-N 179.175 2.024 5 20 AEBD Cc1c(OCCF)cccc1[N+](=O)[O-] 610251711 QZUNUAYGIVYRQM-UHFFFAOYSA-N 199.181 2.252 5 20 AEBD O=[N+]([O-])c1ccc(NCC2CC2)s1 307583822 ZZBMFJNBUYJLTI-UHFFFAOYSA-N 198.247 2.478 5 20 AEBD CC(C)[C@@H](C)SCC[N+](=O)[O-] 901496562 KEMPVKRDRFLIOL-SSDOTTSWSA-N 177.269 2.041 5 20 AEBD Cc1ccc(NC[C@H](C)[N+](=O)[O-])cc1 687728386 YPGMETWXVWPUGV-VIFPVBQESA-N 194.234 2.072 5 20 AEBD Cc1ccc([N+](=O)[O-])c(OCCF)c1 610251710 QSANQJABQBWPEB-UHFFFAOYSA-N 199.181 2.252 5 20 AEBD CC(C)(C)c1cncc([N+](=O)[O-])c1 575623985 HCXCWOCHQZPEMP-UHFFFAOYSA-N 180.207 2.287 5 20 AEBD O=[N+]([O-])c1ccc2cnsc2c1 143539626 YKRIUVHLVYECIH-UHFFFAOYSA-N 180.188 2.205 5 20 AEBD CCCCC[C@H](C(=O)NO)C(C)C 388843722 YVVLFOFFWJKCKV-VIFPVBQESA-N 187.283 2.344 5 20 AEBD O=[N+]([O-])c1ccc2c(c1)NCS2 146422286 XKOJUSWHXABPQR-UHFFFAOYSA-N 182.204 2.070 5 20 AEBD CC(C)CNc1cccnc1[N+](=O)[O-] 83342229 HBDGQUKBIAYUOD-UHFFFAOYSA-N 195.222 2.058 5 20 AEBD O=[N+]([O-])c1cccc(NCC2CC2)c1 35367412 QWRXMOJOTLCPNE-UHFFFAOYSA-N 192.218 2.417 5 20 AEBD CCC(CC)Cn1nccc1[N+](=O)[O-] 594886310 NFSLEVAUTBEPLX-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD Cc1cc(N2CCC2)c([N+](=O)[O-])s1 596070686 RORASEZRVYPXPX-UHFFFAOYSA-N 198.247 2.175 5 20 AEBD CC1(Nc2ncc([N+](=O)[O-])s2)CC1 226776630 WETXPNAWMYQISM-UHFFFAOYSA-N 199.235 2.016 5 20 AEBD Cc1nn(C2CCC2)c(C)c1[N+](=O)[O-] 334299148 PXNZBKQKIVCSJU-UHFFFAOYSA-N 195.222 2.133 5 20 AEBD CC[C@@H](C)Oc1cccnc1[N+](=O)[O-] 609960497 UTEWDNINFQCAFI-SSDOTTSWSA-N 196.206 2.167 5 20 AEBD CC(C)C[C@H](C)n1cc([N+](=O)[O-])cn1 591366410 JJACIAZCVWZJAR-QMMMGPOBSA-N 197.238 2.398 5 20 AEBD CC1(C)CC(n2nccc2[N+](=O)[O-])C1 601076185 ZTILKQJOMIFXNV-UHFFFAOYSA-N 195.222 2.152 5 20 AEBD Cc1cc(NC2CC2)ccc1[N+](=O)[O-] 35277268 XOTVDEIJUYOWTQ-UHFFFAOYSA-N 192.218 2.478 5 20 AEBD O=[N+]([O-])c1ccsc1N1CC=CC1 593480834 XVNRCSDTNOJSCI-UHFFFAOYSA-N 196.231 2.033 5 20 AEBD Nc1csc2ccc([N+](=O)[O-])cc12 107463345 ZOXHFSODYATPBY-UHFFFAOYSA-N 194.215 2.392 5 20 AEBD Cc1ccc(OCCF)c([N+](=O)[O-])c1 610251714 RYABZEKSBNMFIF-UHFFFAOYSA-N 199.181 2.252 5 20 AEBD CC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 83179151 XMIABQVNNUUBRN-UHFFFAOYSA-N 193.202 2.414 5 20 AEBD CC(C)[C@H](C)SCC[N+](=O)[O-] 901496563 KEMPVKRDRFLIOL-ZETCQYMHSA-N 177.269 2.041 5 20 AEBD Cc1cnc2ccc([N+](=O)[O-])cc2c1 60080453 DHPFEKMZUBREBH-UHFFFAOYSA-N 188.186 2.451 5 20 AEBD O=[N+]([O-])c1ccc(NC2CC2)c(F)c1 20474728 HQOIMKNCYNQJDH-UHFFFAOYSA-N 196.181 2.308 5 20 AEBD CC[C@@H](C)Cn1cc(C)c([N+](=O)[O-])n1 619745426 VXWNWLGNVQILIE-SSDOTTSWSA-N 197.238 2.146 5 20 AEBD C=Cc1ccc([N+](=O)[O-])c(OC)c1 113541007 IOQXLSFKTQQPAO-UHFFFAOYSA-N 179.175 2.246 5 20 AEBD C=C=CCNc1ccccc1[N+](=O)[O-] 820586782 QFBNMXHOJVZINV-UHFFFAOYSA-N 190.202 2.348 5 20 AEBD O=[N+]([O-])c1ccc(NC2CC2)s1 306478633 LDQLRRSXCMUBBH-UHFFFAOYSA-N 184.220 2.231 5 20 AEBD CCCCCC[C@H](C)CC(=O)NO 388692299 LDORMZCWWOMEPU-VIFPVBQESA-N 187.283 2.488 5 20 AEBD Cc1ncc([N+](=O)[O-])n1CCC(C)C 211711 JQUAQVDDQARFTA-UHFFFAOYSA-N 197.238 2.146 5 20 AEBD Cc1nc(NC(C)C)ccc1[N+](=O)[O-] 114054613 IFOPVANOAWECQM-UHFFFAOYSA-N 195.222 2.119 5 20 AEBD O=[N+]([O-])c1cnc(NC2CCC2)s1 226772172 VXESNGAYPOTPPS-UHFFFAOYSA-N 199.235 2.016 5 20 AEBD CCN[C@H](C)c1cccc([N+](=O)[O-])c1 20084612 SZLJNFVZWURMKH-MRVPVSSYSA-N 194.234 2.265 5 20 AEBD O=[N+]([O-])c1cc(Cl)c2cn[nH]c2c1 14983123 WRTHJQZWPMDVEE-UHFFFAOYSA-N 197.581 2.125 5 20 AEBD Cn1ccc2cccc([N+](=O)[O-])c21 27888145 FUPIEEZTCMDMTO-UHFFFAOYSA-N 176.175 2.087 5 20 AEBD in-vitro CN(CCF)c1ccccc1[N+](=O)[O-] 601170399 QVJMVZXRHCLGOX-UHFFFAOYSA-N 198.197 2.001 5 20 AEBD CCNc1cc(F)cc([N+](=O)[O-])c1 37666449 WUZWIAGILJLEPQ-UHFFFAOYSA-N 184.170 2.166 5 20 AEBD Cc1ccccc1NC[C@@H](C)[N+](=O)[O-] 1898211443 HDOVZAZHKATJQT-SECBINFHSA-N 194.234 2.072 5 20 AEBD CNc1cc([N+](=O)[O-])c(C)cc1C 132960331 FBHRSIMDXWVCCD-UHFFFAOYSA-N 180.207 2.253 5 20 AEBD CNc1c(F)ccc([N+](=O)[O-])c1C 306224893 LEPHDFOMEJUGKD-UHFFFAOYSA-N 184.170 2.084 5 20 AEBD CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 37176713 LCWRMYMDQRLBRG-QMMMGPOBSA-N 194.234 2.265 5 20 AEBD C[C@@H]1CNc2ccc([N+](=O)[O-])cc21 146964587 CTARBYHKGHJWLQ-ZCFIWIBFSA-N 178.191 2.124 5 20 AEBD CC[C@H](C)Cn1c([N+](=O)[O-])cnc1C 611112273 YOQTWJMMISRQPT-ZETCQYMHSA-N 197.238 2.146 5 20 AEBD O=[N+]([O-])c1cc2cc(O)ccc2o1 6094164 QKIGVICQJLBWQQ-UHFFFAOYSA-N 179.131 2.047 5 20 AEBD CCOc1cccc([N+](=O)[O-])c1C 59691597 JSMPEHCOFYNDPB-UHFFFAOYSA-N 181.191 2.302 5 20 AEBD CC(=O)c1c(C)ccc([N+](=O)[O-])c1C 97757673 XPYBKKPWGOPZOM-UHFFFAOYSA-N 193.202 2.414 5 20 AEBD C=Cc1ccc([N+](=O)[O-])cc1F 113694090 YUTZOHCYBJCRQO-UHFFFAOYSA-N 167.139 2.377 5 20 AEBD CNc1c(C)ccc([N+](=O)[O-])c1C 306302134 ZXHGWASHDSXKDM-UHFFFAOYSA-N 180.207 2.253 5 20 AEBD CCCN(C)c1ccccc1[N+](=O)[O-] 604495108 NNLNMIAEDJIHIF-UHFFFAOYSA-N 194.234 2.441 5 20 AEBD CCNc1ccc([N+](=O)[O-])s1 84918535 VBZRLRGFHFVWSJ-UHFFFAOYSA-N 172.209 2.088 5 20 AEBD CCC[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 590739186 ZQPFJZANAWYATE-SSDOTTSWSA-N 197.238 2.461 5 20 AEBD CCC(CC)Cn1cc([N+](=O)[O-])cn1 71978635 LAYZBFKUMXFIDU-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD CCNc1ccsc1[N+](=O)[O-] 307555954 UDLVGPOOTWPHRI-UHFFFAOYSA-N 172.209 2.088 5 20 AEBD N=c1ncc2cc3ccccc3cc2[nH]1 1857776383 YMPMCCNILFHFEN-UHFFFAOYSA-N 195.225 2.196 5 20 AEBD Cc1ccccc1NC[C@H](C)[N+](=O)[O-] 1898211444 HDOVZAZHKATJQT-VIFPVBQESA-N 194.234 2.072 5 20 AEBD O=[N+]([O-])c1cc(F)cc2ccncc12 536960215 XZGYYNMDWDTWTE-UHFFFAOYSA-N 192.149 2.282 5 20 AEBD Nc1ncnc2cc3ccccc3cc12 26172441 KKRYHFRCHYNPSA-UHFFFAOYSA-N 195.225 2.365 5 20 AEBD O=[N+]([O-])c1coc(-c2ccccc2)n1 98177821 BLLCMHXXPYOXIH-UHFFFAOYSA-N 190.158 2.250 5 20 AEBD CC/C=C\CCn1nccc1[N+](=O)[O-] 613401218 ROWFOXSGHCHXCX-ARJAWSKDSA-N 195.222 2.148 5 20 AEBD Cc1cnc(Cl)c([N+](=O)[O-])c1C 214884331 QYAWTAXDLAJTOZ-UHFFFAOYSA-N 186.598 2.260 5 20 AEBD CCNc1cc([N+](=O)[O-])ccc1F 37060542 JVZSIVNAEAMKIP-UHFFFAOYSA-N 184.170 2.166 5 20 AEBD Cc1ccc([N+](=O)[O-])c(NC2CC2)c1 87150658 QWVHWJGLMCZVEO-UHFFFAOYSA-N 192.218 2.478 5 20 AEBD CC(C)=CCCn1cnc([N+](=O)[O-])c1 594886211 UORDNJREFHZEPS-UHFFFAOYSA-N 195.222 2.148 5 20 AEBD O=[N+]([O-])CCSc1ccccc1 135706948 QKETUBQSGYLHMX-UHFFFAOYSA-N 183.232 2.055 5 20 AEBD O=[N+]([O-])c1cc2cccc(O)c2o1 6094464 OORAPRXPQXVOLQ-UHFFFAOYSA-N 179.131 2.047 5 20 AEBD CCc1cc(C)ccc1[N+](=O)[O-] 38324888 HRGHYPZQJLQUKX-UHFFFAOYSA-N 165.192 2.466 5 20 AEBD Cc1ccnc2cc([N+](=O)[O-])ccc12 95830292 XTJMVHMRXALHFM-UHFFFAOYSA-N 188.186 2.451 5 20 AEBD Cc1ccc([N+](=O)[O-])c(N2CCC2)c1 336574081 RCIUMWAFWVULJT-UHFFFAOYSA-N 192.218 2.113 5 20 AEBD CCCCNc1ccc([N+](=O)[O-])nc1 54613622 PKSBZQAUGTVOAD-UHFFFAOYSA-N 195.222 2.202 5 20 AEBD O=[N+]([O-])c1ccc2cn[nH]c2c1Cl 59914038 RELXRRHUYQXZTK-UHFFFAOYSA-N 197.581 2.125 5 20 AEBD CC(C)COc1cccnc1[N+](=O)[O-] 96550140 LTWFGMOGKCHOFJ-UHFFFAOYSA-N 196.206 2.025 5 20 AEBD O=[N+]([O-])c1cnn([C@@H]2C=CCCC2)c1 334372135 YBVPQXFIUCFJLE-MRVPVSSYSA-N 193.206 2.073 5 20 AEBD CCOc1ccc([N+](=O)[O-])c(OC)c1 619460533 WKDIVNYHXUJNSH-UHFFFAOYSA-N 197.190 2.002 5 20 AEBD CC(C)CCCn1cc([N+](=O)[O-])cn1 617452360 QSYFCPSKDXDLIS-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD CC[C@H](C)Oc1cccnc1[N+](=O)[O-] 609960503 UTEWDNINFQCAFI-ZETCQYMHSA-N 196.206 2.167 5 20 AEBD CCCCCn1cc(C)c([N+](=O)[O-])n1 619571298 KCNHMVIVUNHNQQ-UHFFFAOYSA-N 197.238 2.290 5 20 AEBD CC(C)=CCCn1cc([N+](=O)[O-])cn1 594890386 QFPCGSOHZBEXJA-UHFFFAOYSA-N 195.222 2.148 5 20 AEBD Cc1cc2ncccc2cc1[N+](=O)[O-] 2155939 OQUHNURQEZRHGV-UHFFFAOYSA-N 188.186 2.451 5 20 AEBD O=[N+]([O-])c1ccc(N2CCCC2)s1 306180515 RUFAEUUYWKKIKX-UHFFFAOYSA-N 198.247 2.257 5 20 AEBD Cc1cn(CCC(C)C)nc1[N+](=O)[O-] 619745440 RAEPWABGMCNEFC-UHFFFAOYSA-N 197.238 2.146 5 20 AEBD Nc1csc2c([N+](=O)[O-])cccc12 167256551 HCVMFLHJHQLIGI-UHFFFAOYSA-N 194.215 2.392 5 20 AEBD Cc1ccc(C=C[N+](=O)[O-])cc1 1857776683 JSPNBERPFLONRX-UHFFFAOYSA-N 163.176 2.242 5 20 AEBD CC(=O)c1cc(C)cc([N+](=O)[O-])c1C 83185891 QBWASPHCFXPJRE-UHFFFAOYSA-N 193.202 2.414 5 20 AEBD CC(C)(C)CCn1ccnc1[N+](=O)[O-] 918377478 IOBLSZFGZBXJBQ-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD CC(C)(C)CCn1cc([N+](=O)[O-])cn1 603677945 ZKGSGDUOGBKXFS-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD O=[N+]([O-])c1c[nH]c2cnc(Cl)cc12 44185395 XJNBRTKNXJRBBE-UHFFFAOYSA-N 197.581 2.125 5 20 AEBD in-vitro Cc1ncc([N+](=O)[O-])c(Cl)c1C 98178480 QKWKGAGXPATZLG-UHFFFAOYSA-N 186.598 2.260 5 20 AEBD COc1ccc2cc([N+](=O)[O-])oc2c1 1688694 GDXGCYKZSGUDLX-UHFFFAOYSA-N 193.158 2.350 5 20 AEBD CC[C@@H](C)Nc1ncccc1[N+](=O)[O-] 21514158 NATZUTZWQPTBBH-SSDOTTSWSA-N 195.222 2.200 5 20 AEBD O=[N+]([O-])c1ccc(NCC2CC2)cc1 21504133 QICLCQMPDSTKQM-UHFFFAOYSA-N 192.218 2.417 5 20 AEBD CSCc1ccc([N+](=O)[O-])cc1 1729093 QUALZROVHIUEPU-UHFFFAOYSA-N 183.232 2.458 5 20 AEBD Cc1cc(NC(C)C)ncc1[N+](=O)[O-] 84843702 HAECKZCNRQBLGE-UHFFFAOYSA-N 195.222 2.119 5 20 AEBD CC/C=C/CCn1cnc([N+](=O)[O-])c1 613399654 ZVLHEDHWAUULAX-ONEGZZNKSA-N 195.222 2.148 5 20 AEBD CCCCn1nc(C)c([N+](=O)[O-])c1C 604526460 VBCRHOBZFQQKQX-UHFFFAOYSA-N 197.238 2.208 5 20 AEBD CCC(CC)Cn1ccnc1[N+](=O)[O-] 918387225 NBVMMUBYUIJUDU-UHFFFAOYSA-N 197.238 2.228 5 20 AEBD CC[C@H](C)Nc1ncccc1[N+](=O)[O-] 21514160 NATZUTZWQPTBBH-ZETCQYMHSA-N 195.222 2.200 5 20 AEBD O=[N+]([O-])c1cccc2c1C=CC2 95616969 UYWPMMCADZIKSA-UHFFFAOYSA-N 161.160 2.164 5 20 AEBD O=[N+]([O-])c1ccc2c(c1)NCC21CC1 95835754 PCVYGMFTRVWQMZ-UHFFFAOYSA-N 190.202 2.052 5 20 AEBD CCNCc1ccc(C)c([N+](=O)[O-])c1 34994862 SZFKICZVTLMLIV-UHFFFAOYSA-N 194.234 2.013 5 20 AEBD CC1(C)CNc2c([N+](=O)[O-])cccc21 232790591 AOAUZMFYBIHZSY-UHFFFAOYSA-N 192.218 2.298 5 20 AEBD O=[N+]([O-])c1ccccc1NCC1CC1 21010498 VEYAWAVWJKGGMQ-UHFFFAOYSA-N 192.218 2.417 5 20 AEBD CC(C)C[C@@H](C)n1cc([N+](=O)[O-])cn1 591366409 JJACIAZCVWZJAR-MRVPVSSYSA-N 197.238 2.398 5 20 AEBD C[C@@H](c1cccc(O)c1)[N+](C)(C)[O-] 205907027 IKJXNUVVPHBWRX-QMMMGPOBSA-N 181.235 2.027 5 20 AEBD CC/C=C/CCn1nccc1[N+](=O)[O-] 613401219 ROWFOXSGHCHXCX-ONEGZZNKSA-N 195.222 2.148 5 20 AEBD C[C@H](CF)Nc1ccc([N+](=O)[O-])cc1 307284942 LRBVUBDVZFDEFE-SSDOTTSWSA-N 198.197 2.365 5 20 AEBD COc1ccc2oc([N+](=O)[O-])cc2c1 1688693 MQJDCMRJYZIXBB-UHFFFAOYSA-N 193.158 2.350 5 20 AEBD CCC[C@H](C)n1cc([N+](=O)[O-])c(C)n1 590739187 ZQPFJZANAWYATE-ZETCQYMHSA-N 197.238 2.461 5 20 AEBD Cc1cc([N+](=O)[O-])cc2[nH]ccc12 95930399 PTZHKODNLXFZBR-UHFFFAOYSA-N 176.175 2.385 5 20 AEBD COc1c(C)ccc([N+](=O)[O-])c1C 34079892 YYYBGZOTNZNBRB-UHFFFAOYSA-N 181.191 2.220 5 20 AEBD in-vitro CCNc1c(C)cccc1[N+](=O)[O-] 38916358 WFVRAGXTZGSIAK-UHFFFAOYSA-N 180.207 2.335 5 20 AEBD CNc1cc(C)c([N+](=O)[O-])cc1F 307191012 KCRKYPQFTYSKED-UHFFFAOYSA-N 184.170 2.084 5 20 AEBD O=[N+]([O-])c1sccc1N1CC=CC1 601173963 NJHZRBQFKFACKA-UHFFFAOYSA-N 196.231 2.033 5 20 AEBD