smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 2539693 OMRLTNCLYHKQCK-HPCHECBXSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 12080320 OMRLTNCLYHKQCK-DGTMBMJNSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@@H](CO)[C@@H](O)[C@@H]1O 4262856 GUGICLFTTIFEPS-QNSTZXKLSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@@H]1[C@H](Oc2cccc([N+](=O)[O-])c2)O[C@H](CO)[C@@H](O)[C@@H]1O 83260911 GUGICLFTTIFEPS-XVIXHAIJSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823644 JVAYTUVJUSMWTJ-WHOHXGKFSA-N 347.280 -1.649 5 40 EABB O=C(O)c1cc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1 6444478 OMJDAMXBZQGOAP-MTVMDMGHSA-N 344.276 -1.495 5 40 EABB O=C(O)c1cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])c1 6444474 OMJDAMXBZQGOAP-KQSJRHEJSA-N 344.276 -1.495 5 40 EABB O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 4878473 CGDDRQLFQWMDOQ-XQQFMLRXSA-N 347.327 -1.735 5 40 EABB O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2O 8384271 ZQCHWTXEFJUFAA-AYJSBNPASA-N 334.241 -4.195 5 40 EABB O=[N+]([O-])c1ccc(N[C@@H]2[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]2O)c2nonc12 72175281 GVEBOQDOPLERMC-CVRLDPAZSA-N 342.264 -1.657 5 40 EABB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cccc([N+](=O)[O-])c1 4262854 GUGICLFTTIFEPS-HPCHECBXSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)c2nonc12 143989349 GVEBOQDOPLERMC-FXFBJLSPSA-N 342.264 -1.657 5 40 EABB in-vitro Cc1nc(N2CCNC(=O)C2)nc(N2CCNC(=O)C2)c1[N+](=O)[O-] 95446208 ZYLHRIAPLPTEKJ-UHFFFAOYSA-N 335.324 -1.434 5 40 EABB O=[N+]([O-])c1ccc(N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823345 IJVCOKWTDOFVPO-JTLRNRKASA-N 347.280 -1.649 5 40 EABB CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O 64219384 OMRLTNCLYHKQCK-XVIXHAIJSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(NC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)c2nonc12 601032768 UJAABKCROLDHKO-GHIOYOQGSA-N 342.264 -1.657 5 40 EABB in-vitro C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 4758474 JKNAEXBSTWIWCV-YLJFRXORSA-N 325.349 -1.783 5 40 EABB in-vitro CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O 4291712 OMRLTNCLYHKQCK-QNSTZXKLSA-N 342.304 -1.083 5 40 EABB NC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])nn1CC(N)=O 95116229 DPXIZOILRAMTFX-UHFFFAOYSA-N 340.216 -2.676 5 40 EABB O=[N+]([O-])c1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2nonc12 36489896 GVEBOQDOPLERMC-BWHCZOGYSA-N 342.264 -1.657 5 40 EABB CC(=O)N[C@H]1[C@H](Oc2cccc([N+](=O)[O-])c2)O[C@H](CO)[C@@H](O)[C@@H]1O 4042592 GUGICLFTTIFEPS-DHGKCCLASA-N 342.304 -1.083 5 40 EABB biogenic O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@H]([C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H]2O 8384270 ZQCHWTXEFJUFAA-NKZDCWSFSA-N 334.241 -4.195 5 40 EABB CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O 64219380 OMRLTNCLYHKQCK-MBJXGIAVSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@H](CO)[C@H](O)[C@@H]1O 11852651 GUGICLFTTIFEPS-HTOAHKCRSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cccc([N+](=O)[O-])c1 11852653 GUGICLFTTIFEPS-QMVSFRDZSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(NC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823645 JVAYTUVJUSMWTJ-WISYIIOYSA-N 347.280 -1.649 5 40 EABB O=c1c2n/c(=N/[N+](=O)[O-])[nH][nH]/c(=N/[N+](=O)[O-])nc-2c2ccccc12 16545897 IWTJZYIWTVKCBX-UHFFFAOYSA-N 330.220 -1.064 5 40 EABB O=c1nc2n(C[C@@H](O)[C@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 4878477 CGDDRQLFQWMDOQ-UPJWGTAASA-N 347.327 -1.735 5 40 EABB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 4291710 OMRLTNCLYHKQCK-ZSLBOAEBSA-N 342.304 -1.083 5 40 EABB O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H]2O 8384274 ZQCHWTXEFJUFAA-UMOARQHTSA-N 334.241 -4.195 5 40 EABB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 2517190 PXMQUEGJJUADKD-HPCHECBXSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 13544218 XAJUPNGKLHFUED-YBXAARCKSA-N 346.248 -1.318 5 40 EABB in-vitro C[C@@]1(NC(=O)CC[N+](C)(C)C)CS(=O)(=O)C[C@H]1S(=O)(=O)O 4713883 UXPXGPJPNKXPTE-MWLCHTKSSA-O 343.447 -1.358 5 40 EABB O=[N+]([O-])c1ccc(N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 4707615 YMQMVONSQIWFNM-SVNGYHJRSA-N 345.264 -1.285 5 40 EABB CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O 4291711 OMRLTNCLYHKQCK-MRTXSQPYSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 4707617 YMQMVONSQIWFNM-HGCLJGPKSA-N 345.264 -1.285 5 40 EABB O=[N+]([O-])C(OCOC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] 68568546 KEAMRTJAABQLAY-UHFFFAOYSA-N 346.077 -2.140 5 40 EABB O=C(O)c1cc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc([N+](=O)[O-])c1 217368869 OMJDAMXBZQGOAP-RMPHRYRLSA-N 344.276 -1.495 5 40 EABB O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 71789694 XAJUPNGKLHFUED-MJDLHHQISA-N 346.248 -1.318 5 40 EABB in-vitro O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H](O)CO)OCCO2 95454431 MRKWMRDSQPMJFZ-ZETCQYMHSA-N 334.306 -1.003 5 40 EABB O=[N+]([O-])c1ccc(N[C@@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823342 IJVCOKWTDOFVPO-ZDDJMSTPSA-N 347.280 -1.649 5 40 EABB C[N+](C)(C)c1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 4758475 JKNAEXBSTWIWCV-CIPNSKCISA-N 325.349 -1.783 5 40 EABB in-vitro O=[N+]([O-])c1ccc(N[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823343 IJVCOKWTDOFVPO-KXGXSXBTSA-N 347.280 -1.649 5 40 EABB CC(=O)N[C@H]1[C@@H](Oc2ccccc2[N+](=O)[O-])O[C@H](CO)[C@H](O)[C@@H]1O 13537295 PXMQUEGJJUADKD-RGDJUOJXSA-N 342.304 -1.083 5 40 EABB in-vitro O=C(O)c1cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1 2124579 OMJDAMXBZQGOAP-KNZXXDILSA-N 344.276 -1.495 5 40 EABB O=C(O)c1cc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])c1 6444476 OMJDAMXBZQGOAP-VSSNEEPJSA-N 344.276 -1.495 5 40 EABB O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@@H]([C@H](O)[C@H](O)[C@@H](O)CO)[C@H]2O 17111799 ZQCHWTXEFJUFAA-DSSZKMTFSA-N 334.241 -4.195 5 40 EABB CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cccc([N+](=O)[O-])c1 11852652 GUGICLFTTIFEPS-DGTMBMJNSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@H](O)[C@H]1O 2567894 OMRLTNCLYHKQCK-HTVCTNPSSA-N 342.304 -1.083 5 40 EABB in-vitro O=[N+]([O-])c1ccc(N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 4707614 YMQMVONSQIWFNM-KNZXXDILSA-N 345.264 -1.285 5 40 EABB O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)[C@H]2O 17111801 ZQCHWTXEFJUFAA-KOOROYRDSA-N 334.241 -4.195 5 40 EABB O=[N+]([O-])c1ccc(N[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c2nonc12 143472913 GVEBOQDOPLERMC-LTVFLDSHSA-N 342.264 -1.657 5 40 EABB in-vitro CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@H]1O 2597111 OMRLTNCLYHKQCK-PDWCTOEPSA-N 342.304 -1.083 5 40 EABB in-vitro O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H](O)CO)OCCO2 95454432 MRKWMRDSQPMJFZ-SSDOTTSWSA-N 334.306 -1.003 5 40 EABB CC(=O)N[C@@H]1[C@@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](CO)[C@@H](O)[C@@H]1O 4557174 PXMQUEGJJUADKD-QNSTZXKLSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O 12080319 OMRLTNCLYHKQCK-HTOAHKCRSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 2597044 OMRLTNCLYHKQCK-PEDHHIEDSA-N 342.304 -1.083 5 40 EABB biogenic C[C@]1(NC(=O)CC[N+](C)(C)C)CS(=O)(=O)C[C@@H]1S(=O)(=O)O 2217335 UXPXGPJPNKXPTE-ONGXEEELSA-O 343.447 -1.358 5 40 EABB O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)[C@H]2O 17111797 ZQCHWTXEFJUFAA-NKWUJSBFSA-N 334.241 -4.195 5 40 EABB CC(=O)N[C@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@H](CO)[C@H](O)[C@@H]1O 11852650 GUGICLFTTIFEPS-RGDJUOJXSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@@H](CO)[C@@H](O)[C@@H]1O 4262855 GUGICLFTTIFEPS-MRTXSQPYSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(NC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c2nonc12 601032769 UJAABKCROLDHKO-UOAXWKJLSA-N 342.264 -1.657 5 40 EABB in-vitro O=C1N=c2ccc([N+](=O)[O-])cc2=C1NN[C@@H]1CS(=O)(=O)C[C@@H]1O 100543357 AVBPWKMARKQPKB-ZJUUUORDSA-N 340.317 -2.885 5 40 EABB COC[C@](C)(CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 72283555 BRTRPFPFBPZOFF-NKGMTQDZSA-N 344.324 -1.046 5 40 EABB O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]2O 8384268 ZQCHWTXEFJUFAA-OWBUZKCFSA-N 334.241 -4.195 5 40 EABB O=[N+]([O-])c1ccc(NC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c2nonc12 601032759 UJAABKCROLDHKO-CAXGQTPXSA-N 342.264 -1.657 5 40 EABB in-vitro CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 4557172 PXMQUEGJJUADKD-ZSLBOAEBSA-N 342.304 -1.083 5 40 EABB CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 2539729 PXMQUEGJJUADKD-PEDHHIEDSA-N 342.304 -1.083 5 40 EABB CC1(C)C2([N+](=O)[O-])CN(CCO)CC1([N+](=O)[O-])CN(CCO)C2 19312952 LWXSZFCFSJDMNV-UHFFFAOYSA-N 332.357 -1.341 5 40 EABB Cn1c(=O)c2c3c(=O)n(C)c(=O)c3c3c(=O)n(C)c(=O)c3c2c1=O 12322217 LBYCHESTLUQFKZ-UHFFFAOYSA-N 327.252 -2.364 5 40 EABB CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@H]1O 36532591 OMRLTNCLYHKQCK-IKOXMDCHSA-N 342.304 -1.083 5 40 EABB O=c1nc2n(C[C@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 4878479 CGDDRQLFQWMDOQ-YNEHKIRRSA-N 347.327 -1.735 5 40 EABB O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 4878481 CGDDRQLFQWMDOQ-JHJVBQTASA-N 347.327 -1.735 5 40 EABB Nc1nc2c(nc([N+](=O)[O-])n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 38581012 KGUOMRFOXYDMAH-UMMCILCDSA-N 328.241 -2.779 5 40 EABB in-vitro O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])N[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]2O 17111802 ZQCHWTXEFJUFAA-LGSMAPHPSA-N 334.241 -4.195 5 40 EABB CC(=O)N[C@H]1[C@@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](CO)[C@@H](O)[C@@H]1O 4557173 PXMQUEGJJUADKD-MRTXSQPYSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])C(CCc1nn[nH]n1)(CCc1nn[nH]n1)CCc1nn[nH]n1 8694216 CJDYPQSMXXIAAQ-UHFFFAOYSA-N 349.319 -1.560 5 40 EABB O=[N+]([O-])c1ccc(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823646 JVAYTUVJUSMWTJ-IRCOFANPSA-N 347.280 -1.649 5 40 EABB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cccc([N+](=O)[O-])c1 4262853 GUGICLFTTIFEPS-ZSLBOAEBSA-N 342.304 -1.083 5 40 EABB OCC[N+]1(CCOCC[N+]2(CCO)CCOCC2)CCOCC1 4416969 OEETVFYNYBCLGQ-UHFFFAOYSA-N 334.457 -1.318 5 40 EABB C[N+](C)(C)c1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 4758473 JKNAEXBSTWIWCV-YWZCALJYSA-N 325.349 -1.783 5 40 EABB in-vitro CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 12080321 OMRLTNCLYHKQCK-QMVSFRDZSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823647 JVAYTUVJUSMWTJ-DDHJBXDOSA-N 347.280 -1.649 5 40 EABB C[C@]1(NC(=O)CC[N+](C)(C)C)CS(=O)(=O)C[C@H]1S(=O)(=O)O 4713882 UXPXGPJPNKXPTE-KOLCDFICSA-O 343.447 -1.358 5 40 EABB Cc1nc(N(CCO)CCO)nc(N(CCO)CCO)c1[N+](=O)[O-] 16249493 PIUFCCIWZGAXMY-UHFFFAOYSA-N 345.356 -1.725 5 40 EABB O=[N+]([O-])c1ccc(N[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 4823346 IJVCOKWTDOFVPO-HJQYOEGKSA-N 347.280 -1.649 5 40 EABB O=C1N=c2ccc([N+](=O)[O-])cc2=C1NN[C@H]1CS(=O)(=O)C[C@@H]1O 100543362 AVBPWKMARKQPKB-UWVGGRQHSA-N 340.317 -2.885 5 40 EABB C[C@@]1(NC(=O)CC[N+](C)(C)C)CS(=O)(=O)C[C@@H]1S(=O)(=O)O 2217334 UXPXGPJPNKXPTE-GXSJLCMTSA-O 343.447 -1.358 5 40 EABB O=[N+]([O-])c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2nonc12 36489897 GVEBOQDOPLERMC-NJOIIQIHSA-N 342.264 -1.657 5 40 EABB O=[N+]([O-])c1ccc(NC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)c2nonc12 601032770 UJAABKCROLDHKO-XQFKGYICSA-N 342.264 -1.657 5 40 EABB in-vitro CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@H]1O 36532544 OMRLTNCLYHKQCK-XHJNMGKDSA-N 342.304 -1.083 5 40 EABB O=[N+]([O-])c1ccc(N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 4707616 YMQMVONSQIWFNM-KQSJRHEJSA-N 345.264 -1.285 5 40 EABB O=[N+]([O-])c1ccc(N[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@H]2O)c2nonc12 72175282 GVEBOQDOPLERMC-NPIRLYGUSA-N 342.264 -1.657 5 40 EABB C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 4758476 JKNAEXBSTWIWCV-UKHPNBTGSA-N 325.349 -1.783 5 40 EABB in-vitro